smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824071807 946574361 /nfs/dbraw/zinc/57/43/61/946574361.db2.gz NUHGTHSRXGQDFX-UXHICEINSA-N 2 2 398.555 3.014 20 0 GGADLP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824071806 946575941 /nfs/dbraw/zinc/57/59/41/946575941.db2.gz NUHGTHSRXGQDFX-PMACEKPBSA-N 2 2 398.555 3.014 20 0 GGADLP CC(C)OC1CCC([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000824309148 946651714 /nfs/dbraw/zinc/65/17/14/946651714.db2.gz GSSSZNBYBKXCSE-UHFFFAOYSA-N 2 2 398.555 3.157 20 0 GGADLP C[C@@H](Cc1cccs1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824457289 946714897 /nfs/dbraw/zinc/71/48/97/946714897.db2.gz JCGFODCUSGUHRW-HNNXBMFYSA-N 2 2 382.537 3.113 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824590286 946839967 /nfs/dbraw/zinc/83/99/67/946839967.db2.gz AZYAQSMPZKISIG-HNNXBMFYSA-N 2 2 380.471 3.105 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824590286 946839975 /nfs/dbraw/zinc/83/99/75/946839975.db2.gz AZYAQSMPZKISIG-HNNXBMFYSA-N 2 2 380.471 3.105 20 0 GGADLP C[C@H]1CCCC[C@@H]1OCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824936654 946998276 /nfs/dbraw/zinc/99/82/76/946998276.db2.gz KUEAOBWSJFHQSO-UWJYYQICSA-N 2 2 398.555 3.016 20 0 GGADLP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826218826 947650063 /nfs/dbraw/zinc/65/00/63/947650063.db2.gz LSDWMIAJWBTOFH-INIZCTEOSA-N 2 2 392.507 3.191 20 0 GGADLP Cc1ccc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000826287463 947832140 /nfs/dbraw/zinc/83/21/40/947832140.db2.gz PWNXXZVZFFFXSV-HNNXBMFYSA-N 2 2 396.564 3.422 20 0 GGADLP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826375873 948165626 /nfs/dbraw/zinc/16/56/26/948165626.db2.gz FNABOPCTVDZUGN-NRFANRHFSA-N 2 2 392.482 3.247 20 0 GGADLP c1ccc(C[C@@H]2C[C@H]2[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826520293 948449700 /nfs/dbraw/zinc/44/97/00/948449700.db2.gz FJADBKXNOOKMRJ-IFMALSPDSA-N 2 2 388.519 3.052 20 0 GGADLP c1ccc2nc(C[NH2+]C3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc2c1 ZINC000826524537 948461002 /nfs/dbraw/zinc/46/10/02/948461002.db2.gz YYHVJFDMRDLJLV-UHFFFAOYSA-N 2 2 399.502 3.169 20 0 GGADLP O[C@@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001474295186 1126204300 /nfs/dbraw/zinc/20/43/00/1126204300.db2.gz YHBCAJTWTYZGRC-TZIWHRDSSA-N 2 2 383.879 3.363 20 0 GGADLP C[N@@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000056894619 205153437 /nfs/dbraw/zinc/15/34/37/205153437.db2.gz IIHIDUGEJKZJEA-OAQYLSRUSA-N 2 2 375.476 3.071 20 0 GGADLP C[N@H+]1CCN(C(=O)NCc2ccccc2-n2cc[nH+]c2)[C@@H](c2ccccc2)C1 ZINC000056894619 205153440 /nfs/dbraw/zinc/15/34/40/205153440.db2.gz IIHIDUGEJKZJEA-OAQYLSRUSA-N 2 2 375.476 3.071 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(cccc4F)s3)CC2)CC1 ZINC000050800556 205131841 /nfs/dbraw/zinc/13/18/41/205131841.db2.gz BOBAKBCECJKEGZ-UHFFFAOYSA-N 2 2 375.513 3.329 20 0 GGADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305298 205321553 /nfs/dbraw/zinc/32/15/53/205321553.db2.gz QBLSRVOHPFEDCH-ICSRJNTNSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305298 205321558 /nfs/dbraw/zinc/32/15/58/205321558.db2.gz QBLSRVOHPFEDCH-ICSRJNTNSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccccc1F)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305298 205321563 /nfs/dbraw/zinc/32/15/63/205321563.db2.gz QBLSRVOHPFEDCH-ICSRJNTNSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccccc1F)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305298 205321567 /nfs/dbraw/zinc/32/15/67/205321567.db2.gz QBLSRVOHPFEDCH-ICSRJNTNSA-N 2 2 383.511 3.284 20 0 GGADLP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000095468473 205462841 /nfs/dbraw/zinc/46/28/41/205462841.db2.gz UEHLJUBLMCMXRB-SFHVURJKSA-N 2 2 394.560 3.128 20 0 GGADLP O=C(C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N1CCCCCC1 ZINC000040004978 132392281 /nfs/dbraw/zinc/39/22/81/132392281.db2.gz UXJXSCAAGMDDTF-UHFFFAOYSA-N 2 2 386.927 3.413 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC[N@@H+]1C ZINC000235743976 565936742 /nfs/dbraw/zinc/93/67/42/565936742.db2.gz DSOWRXLZDRLKQR-GXSJLCMTSA-N 2 2 392.135 3.490 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC[N@H+]1C ZINC000235743976 565936747 /nfs/dbraw/zinc/93/67/47/565936747.db2.gz DSOWRXLZDRLKQR-GXSJLCMTSA-N 2 2 392.135 3.490 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC[N@@H+]1C ZINC000235705275 565936895 /nfs/dbraw/zinc/93/68/95/565936895.db2.gz DSOWRXLZDRLKQR-ONGXEEELSA-N 2 2 392.135 3.490 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC[N@H+]1C ZINC000235705275 565936900 /nfs/dbraw/zinc/93/69/00/565936900.db2.gz DSOWRXLZDRLKQR-ONGXEEELSA-N 2 2 392.135 3.490 20 0 GGADLP C[C@@H](C[NH2+]Cc1c(Br)cncc1Br)Cn1cc[nH+]c1 ZINC000576455324 566346165 /nfs/dbraw/zinc/34/61/65/566346165.db2.gz UTRCQJJGBJZOOH-JTQLQIEISA-N 2 2 388.107 3.229 20 0 GGADLP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)C2)CC1 ZINC000116261819 564206148 /nfs/dbraw/zinc/20/61/48/564206148.db2.gz WHRMTWLUBMSGPR-MRXNPFEDSA-N 2 2 389.341 3.214 20 0 GGADLP CCN1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)C2)CC1 ZINC000116261819 564206150 /nfs/dbraw/zinc/20/61/50/564206150.db2.gz WHRMTWLUBMSGPR-MRXNPFEDSA-N 2 2 389.341 3.214 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(Br)c1 ZINC000118868080 564247568 /nfs/dbraw/zinc/24/75/68/564247568.db2.gz KJYPGTMRQIVDJU-UHFFFAOYSA-N 2 2 382.346 3.360 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000119663459 564282078 /nfs/dbraw/zinc/28/20/78/564282078.db2.gz HSDNTIQUFKJQAU-UKRRQHHQSA-N 2 2 380.330 3.301 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000119663459 564282079 /nfs/dbraw/zinc/28/20/79/564282079.db2.gz HSDNTIQUFKJQAU-UKRRQHHQSA-N 2 2 380.330 3.301 20 0 GGADLP CC(C)(C)[NH2+]CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000120278230 564312806 /nfs/dbraw/zinc/31/28/06/564312806.db2.gz LSXXCPLXBUPNRY-INIZCTEOSA-N 2 2 382.346 3.090 20 0 GGADLP C[C@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C[NH+]1CCOCC1 ZINC000120312981 564315010 /nfs/dbraw/zinc/31/50/10/564315010.db2.gz DIZYEWNIHJPEAD-GFCCVEGCSA-N 2 2 393.272 3.108 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[N@@H+]1C1CC1 ZINC000120688271 564332656 /nfs/dbraw/zinc/33/26/56/564332656.db2.gz YTIVGMPIADRBBB-PBHICJAKSA-N 2 2 394.357 3.001 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[N@H+]1C1CC1 ZINC000120688271 564332660 /nfs/dbraw/zinc/33/26/60/564332660.db2.gz YTIVGMPIADRBBB-PBHICJAKSA-N 2 2 394.357 3.001 20 0 GGADLP O=C(NCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Br)cc1 ZINC000121149085 564356412 /nfs/dbraw/zinc/35/64/12/564356412.db2.gz LUXDIZZIIFWTCZ-UHFFFAOYSA-N 2 2 399.292 3.154 20 0 GGADLP COC(=O)[C@H](c1cccc(Br)c1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000122300850 564407974 /nfs/dbraw/zinc/40/79/74/564407974.db2.gz BFOODQYGNKUZBE-INIZCTEOSA-N 2 2 380.286 3.190 20 0 GGADLP COC(=O)[C@H](c1cccc(Br)c1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000122300850 564407978 /nfs/dbraw/zinc/40/79/78/564407978.db2.gz BFOODQYGNKUZBE-INIZCTEOSA-N 2 2 380.286 3.190 20 0 GGADLP O=C(C[N@H+](Cc1cccs1)C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000045751415 564488829 /nfs/dbraw/zinc/48/88/29/564488829.db2.gz ZZPRJWKAXBKLLB-UHFFFAOYSA-N 2 2 375.563 3.118 20 0 GGADLP O=C(C[N@@H+](Cc1cccs1)C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000045751415 564488833 /nfs/dbraw/zinc/48/88/33/564488833.db2.gz ZZPRJWKAXBKLLB-UHFFFAOYSA-N 2 2 375.563 3.118 20 0 GGADLP COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c(Br)c1OC ZINC000125282125 564509314 /nfs/dbraw/zinc/50/93/14/564509314.db2.gz RWMHAKYSAYSXCF-UHFFFAOYSA-N 2 2 392.297 3.184 20 0 GGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)sc1Br ZINC000125414317 564513847 /nfs/dbraw/zinc/51/38/47/564513847.db2.gz XLAOIOKXAGTRJW-MRXNPFEDSA-N 2 2 395.366 3.328 20 0 GGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)sc1Br ZINC000125414317 564513851 /nfs/dbraw/zinc/51/38/51/564513851.db2.gz XLAOIOKXAGTRJW-MRXNPFEDSA-N 2 2 395.366 3.328 20 0 GGADLP Brc1ccc(-n2cc(C[NH2+]C3CC[NH+](C4CC4)CC3)cn2)cc1 ZINC000048685816 564543456 /nfs/dbraw/zinc/54/34/56/564543456.db2.gz FWOZGPQIZGZCAT-UHFFFAOYSA-N 2 2 375.314 3.351 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Cl)sc3Cl)CC2)CC1 ZINC000050800235 564559794 /nfs/dbraw/zinc/55/97/94/564559794.db2.gz UULASOUJKYZSFP-UHFFFAOYSA-N 2 2 376.353 3.343 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000050802035 564560249 /nfs/dbraw/zinc/56/02/49/564560249.db2.gz UYYQHAVUZNCTRU-UHFFFAOYSA-N 2 2 384.351 3.211 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSc3ccc(Cl)cc3)CC2)CC1 ZINC000050802241 564561287 /nfs/dbraw/zinc/56/12/87/564561287.db2.gz ZAHGFTFRUJTVGE-UHFFFAOYSA-N 2 2 381.973 3.107 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000052213591 564569967 /nfs/dbraw/zinc/56/99/67/564569967.db2.gz RLOPGGFQRNZGMV-SFHVURJKSA-N 2 2 394.357 3.187 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000052213591 564569969 /nfs/dbraw/zinc/56/99/69/564569969.db2.gz RLOPGGFQRNZGMV-SFHVURJKSA-N 2 2 394.357 3.187 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000052452880 564572317 /nfs/dbraw/zinc/57/23/17/564572317.db2.gz FVHQQPOPDDAHJD-GOSISDBHSA-N 2 2 394.357 3.187 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000052452880 564572324 /nfs/dbraw/zinc/57/23/24/564572324.db2.gz FVHQQPOPDDAHJD-GOSISDBHSA-N 2 2 394.357 3.187 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131225356 564705441 /nfs/dbraw/zinc/70/54/41/564705441.db2.gz AOULZSZLODITGE-ZWKOTPCHSA-N 2 2 394.357 3.314 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131225356 564705446 /nfs/dbraw/zinc/70/54/46/564705446.db2.gz AOULZSZLODITGE-ZWKOTPCHSA-N 2 2 394.357 3.314 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000133412783 564772857 /nfs/dbraw/zinc/77/28/57/564772857.db2.gz QPEMYXPQIJVOON-UHFFFAOYSA-N 2 2 377.838 3.115 20 0 GGADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000133723193 564782619 /nfs/dbraw/zinc/78/26/19/564782619.db2.gz UMZPHVNXKIWLLG-HNNXBMFYSA-N 2 2 379.961 3.445 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134088514 564793801 /nfs/dbraw/zinc/79/38/01/564793801.db2.gz SRBYMQDWEVTMDS-QAPCUYQASA-N 2 2 377.330 3.461 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000134675762 564811985 /nfs/dbraw/zinc/81/19/85/564811985.db2.gz OQNQLVPHHUXWPA-MSOLQXFVSA-N 2 2 394.357 3.042 20 0 GGADLP CC[NH2+]CC1CC[NH+](Cc2ncc(Br)cc2Br)CC1 ZINC000135330656 564827906 /nfs/dbraw/zinc/82/79/06/564827906.db2.gz RURUWJXOAGTNRC-UHFFFAOYSA-N 2 2 391.151 3.428 20 0 GGADLP C[C@H]([NH3+])C1CC[NH+](Cc2ncc(Br)cc2Br)CC1 ZINC000135327926 564828300 /nfs/dbraw/zinc/82/83/00/564828300.db2.gz ILPBDZSGBQTRCC-VIFPVBQESA-N 2 2 377.124 3.166 20 0 GGADLP Ic1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000151133170 564907569 /nfs/dbraw/zinc/90/75/69/564907569.db2.gz DILLCEPQINFIBK-HNNXBMFYSA-N 2 2 397.260 3.381 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000151375805 564917121 /nfs/dbraw/zinc/91/71/21/564917121.db2.gz UMMKZILXHBUCOF-QGZVFWFLSA-N 2 2 383.330 3.099 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000152208516 564951284 /nfs/dbraw/zinc/95/12/84/564951284.db2.gz SQKKBMUCYVRASZ-GOSISDBHSA-N 2 2 394.357 3.187 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000152208516 564951287 /nfs/dbraw/zinc/95/12/87/564951287.db2.gz SQKKBMUCYVRASZ-GOSISDBHSA-N 2 2 394.357 3.187 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000104067661 564953087 /nfs/dbraw/zinc/95/30/87/564953087.db2.gz HVTFOPQMTUEIAZ-OAHLLOKOSA-N 2 2 377.941 3.469 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1Br ZINC000152391507 564958123 /nfs/dbraw/zinc/95/81/23/564958123.db2.gz WQXGWGBSYAGTOI-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1Br ZINC000152391507 564958125 /nfs/dbraw/zinc/95/81/25/564958125.db2.gz WQXGWGBSYAGTOI-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000152391507 564958127 /nfs/dbraw/zinc/95/81/27/564958127.db2.gz WQXGWGBSYAGTOI-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000152391507 564958128 /nfs/dbraw/zinc/95/81/28/564958128.db2.gz WQXGWGBSYAGTOI-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP C[N@H+](CCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000105400855 564966016 /nfs/dbraw/zinc/96/60/16/564966016.db2.gz PQDSSIFFWSVXCD-QGZVFWFLSA-N 2 2 382.346 3.220 20 0 GGADLP C[N@@H+](CCC[NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000105400855 564966018 /nfs/dbraw/zinc/96/60/18/564966018.db2.gz PQDSSIFFWSVXCD-QGZVFWFLSA-N 2 2 382.346 3.220 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C[N@@H+]1C1CC1 ZINC000152754567 564970523 /nfs/dbraw/zinc/97/05/23/564970523.db2.gz GDCJCINIAKHCKV-VYDXJSESSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C[N@H+]1C1CC1 ZINC000152754567 564970524 /nfs/dbraw/zinc/97/05/24/564970524.db2.gz GDCJCINIAKHCKV-VYDXJSESSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152989952 564980467 /nfs/dbraw/zinc/98/04/67/564980467.db2.gz GMKIQAMSYXMHKN-QAPCUYQASA-N 2 2 377.330 3.288 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152989952 564980471 /nfs/dbraw/zinc/98/04/71/564980471.db2.gz GMKIQAMSYXMHKN-QAPCUYQASA-N 2 2 377.330 3.288 20 0 GGADLP CC[NH+]1CCN([C@H]2CCN(c3cc[nH+]c4c(Br)cccc34)C2)CC1 ZINC000106478586 564983431 /nfs/dbraw/zinc/98/34/31/564983431.db2.gz NPJORQQHPUEFTE-HNNXBMFYSA-N 2 2 389.341 3.214 20 0 GGADLP C[C@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCOCC1 ZINC000153295275 564991288 /nfs/dbraw/zinc/99/12/88/564991288.db2.gz DTFHEAITJVDRMZ-RHSMWYFYSA-N 2 2 383.330 3.221 20 0 GGADLP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154267091 565031788 /nfs/dbraw/zinc/03/17/88/565031788.db2.gz DSWLPADUTDTURM-YPMHNXCESA-N 2 2 398.370 3.454 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795834 565031944 /nfs/dbraw/zinc/03/19/44/565031944.db2.gz SBEBTTBGKOHXAH-UHFFFAOYSA-N 2 2 381.307 3.485 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000154841417 565054324 /nfs/dbraw/zinc/05/43/24/565054324.db2.gz AXQOHIJCAMHREW-KRWDZBQOSA-N 2 2 383.330 3.363 20 0 GGADLP Brc1ccc(-c2c[nH]c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)n2)cc1 ZINC000112371778 565063179 /nfs/dbraw/zinc/06/31/79/565063179.db2.gz LJVPNSYAHUOYID-ZDUSSCGKSA-N 2 2 375.314 3.413 20 0 GGADLP Brc1ccc(-c2c[nH]c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)n2)cc1 ZINC000112371778 565063180 /nfs/dbraw/zinc/06/31/80/565063180.db2.gz LJVPNSYAHUOYID-ZDUSSCGKSA-N 2 2 375.314 3.413 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000155314551 565066049 /nfs/dbraw/zinc/06/60/49/565066049.db2.gz VFQCDRLCVUYDMH-IAGOWNOFSA-N 2 2 381.973 3.409 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000155314551 565066051 /nfs/dbraw/zinc/06/60/51/565066051.db2.gz VFQCDRLCVUYDMH-IAGOWNOFSA-N 2 2 381.973 3.409 20 0 GGADLP COc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c(Br)cc1O ZINC000113322001 565069341 /nfs/dbraw/zinc/06/93/41/565069341.db2.gz FTEWZVRUVOKRPG-UHFFFAOYSA-N 2 2 392.297 3.317 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)cc3Br)C2)CC1 ZINC000113997723 565071984 /nfs/dbraw/zinc/07/19/84/565071984.db2.gz RKXOEPYKSHJFAY-INIZCTEOSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3Br)C2)CC1 ZINC000113997723 565071986 /nfs/dbraw/zinc/07/19/86/565071986.db2.gz RKXOEPYKSHJFAY-INIZCTEOSA-N 2 2 386.765 3.314 20 0 GGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000155875807 565072456 /nfs/dbraw/zinc/07/24/56/565072456.db2.gz CEDZSSJCDBXOAU-ZDUSSCGKSA-N 2 2 376.302 3.372 20 0 GGADLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000114475828 565074681 /nfs/dbraw/zinc/07/46/81/565074681.db2.gz SQUAAAGJTYLNBQ-SFHVURJKSA-N 2 2 396.373 3.419 20 0 GGADLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000114475828 565074682 /nfs/dbraw/zinc/07/46/82/565074682.db2.gz SQUAAAGJTYLNBQ-SFHVURJKSA-N 2 2 396.373 3.419 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2Br)CC1 ZINC000114455810 565074791 /nfs/dbraw/zinc/07/47/91/565074791.db2.gz PWARACYKSOVWDQ-OAHLLOKOSA-N 2 2 396.373 3.431 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2Br)CC1 ZINC000114455810 565074793 /nfs/dbraw/zinc/07/47/93/565074793.db2.gz PWARACYKSOVWDQ-OAHLLOKOSA-N 2 2 396.373 3.431 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Br ZINC000156356271 565083313 /nfs/dbraw/zinc/08/33/13/565083313.db2.gz RDQUYILXAFPYNZ-MRXNPFEDSA-N 2 2 390.281 3.244 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1Br ZINC000156356271 565083317 /nfs/dbraw/zinc/08/33/17/565083317.db2.gz RDQUYILXAFPYNZ-MRXNPFEDSA-N 2 2 390.281 3.244 20 0 GGADLP Brc1cncc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)c1 ZINC000183728173 565091115 /nfs/dbraw/zinc/09/11/15/565091115.db2.gz QJZNQFWWJVJWLT-UHFFFAOYSA-N 2 2 382.346 3.216 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266790512 565091684 /nfs/dbraw/zinc/09/16/84/565091684.db2.gz WZPRGJFJDQMXJO-GFCCVEGCSA-N 2 2 377.286 3.379 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Br ZINC000369429973 565092124 /nfs/dbraw/zinc/09/21/24/565092124.db2.gz XUQHJHNWALEYJM-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1Br ZINC000369429973 565092130 /nfs/dbraw/zinc/09/21/30/565092130.db2.gz XUQHJHNWALEYJM-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Br)cc3F)C2)CC1 ZINC000369443734 565092774 /nfs/dbraw/zinc/09/27/74/565092774.db2.gz QREVZMNIMNRWHJ-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Br)cc3F)C2)CC1 ZINC000369443734 565092780 /nfs/dbraw/zinc/09/27/80/565092780.db2.gz QREVZMNIMNRWHJ-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1 ZINC000266890236 565095496 /nfs/dbraw/zinc/09/54/96/565095496.db2.gz CSIJZZZZFXEIDH-CYBMUJFWSA-N 2 2 377.286 3.380 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1 ZINC000266890236 565095504 /nfs/dbraw/zinc/09/55/04/565095504.db2.gz CSIJZZZZFXEIDH-CYBMUJFWSA-N 2 2 377.286 3.380 20 0 GGADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183801992 565095652 /nfs/dbraw/zinc/09/56/52/565095652.db2.gz CDHTYOVMVUHGRT-BEFAXECRSA-N 2 2 392.341 3.357 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1F ZINC000266921441 565097122 /nfs/dbraw/zinc/09/71/22/565097122.db2.gz MBLGYAUWEVBDCF-NSHDSACASA-N 2 2 381.249 3.129 20 0 GGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1F ZINC000266921441 565097125 /nfs/dbraw/zinc/09/71/25/565097125.db2.gz MBLGYAUWEVBDCF-NSHDSACASA-N 2 2 381.249 3.129 20 0 GGADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369651221 565104919 /nfs/dbraw/zinc/10/49/19/565104919.db2.gz XEWQWVPDWYWDPS-ARFHVFGLSA-N 2 2 381.973 3.132 20 0 GGADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369651221 565104922 /nfs/dbraw/zinc/10/49/22/565104922.db2.gz XEWQWVPDWYWDPS-ARFHVFGLSA-N 2 2 381.973 3.132 20 0 GGADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000292388077 565114075 /nfs/dbraw/zinc/11/40/75/565114075.db2.gz RIMBSNNDTQFNOE-OAHLLOKOSA-N 2 2 396.373 3.037 20 0 GGADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000292388077 565114077 /nfs/dbraw/zinc/11/40/77/565114077.db2.gz RIMBSNNDTQFNOE-OAHLLOKOSA-N 2 2 396.373 3.037 20 0 GGADLP CC[N@H+](Cc1nn(C)cc1Br)CC1CCN(c2cccc[nH+]2)CC1 ZINC000292598913 565124698 /nfs/dbraw/zinc/12/46/98/565124698.db2.gz LBYAZGNGPSNPTH-UHFFFAOYSA-N 2 2 392.345 3.316 20 0 GGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370147182 565130286 /nfs/dbraw/zinc/13/02/86/565130286.db2.gz APXUQLAHYQPENJ-HNAYVOBHSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370147182 565130290 /nfs/dbraw/zinc/13/02/90/565130290.db2.gz APXUQLAHYQPENJ-HNAYVOBHSA-N 2 2 380.374 3.215 20 0 GGADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000157465967 565133660 /nfs/dbraw/zinc/13/36/60/565133660.db2.gz COLLCRIVDXCYJW-AWEZNQCLSA-N 2 2 382.346 3.042 20 0 GGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000157465967 565133667 /nfs/dbraw/zinc/13/36/67/565133667.db2.gz COLLCRIVDXCYJW-AWEZNQCLSA-N 2 2 382.346 3.042 20 0 GGADLP Clc1cc(Cl)c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cn2c1 ZINC000157591057 565138800 /nfs/dbraw/zinc/13/88/00/565138800.db2.gz FEFHRFHLTPPHBT-UHFFFAOYSA-N 2 2 383.323 3.185 20 0 GGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4ccccc4Br)o3)C2)C1 ZINC000292925076 565140809 /nfs/dbraw/zinc/14/08/09/565140809.db2.gz INOSTTTZZKNRMO-GOSISDBHSA-N 2 2 391.313 3.417 20 0 GGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3nnc(-c4ccccc4Br)o3)C2)C1 ZINC000292925076 565140815 /nfs/dbraw/zinc/14/08/15/565140815.db2.gz INOSTTTZZKNRMO-GOSISDBHSA-N 2 2 391.313 3.417 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3nnc(-c4ccccc4Br)o3)C2)C1 ZINC000292925076 565140819 /nfs/dbraw/zinc/14/08/19/565140819.db2.gz INOSTTTZZKNRMO-GOSISDBHSA-N 2 2 391.313 3.417 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3nnc(-c4ccccc4Br)o3)C2)C1 ZINC000292925076 565140825 /nfs/dbraw/zinc/14/08/25/565140825.db2.gz INOSTTTZZKNRMO-GOSISDBHSA-N 2 2 391.313 3.417 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Br)cc1 ZINC000292903235 565140849 /nfs/dbraw/zinc/14/08/49/565140849.db2.gz GTBXJIQFMFWNIB-BEFAXECRSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Br)cc1 ZINC000292903235 565140851 /nfs/dbraw/zinc/14/08/51/565140851.db2.gz GTBXJIQFMFWNIB-BEFAXECRSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Br)cc1 ZINC000292903235 565140855 /nfs/dbraw/zinc/14/08/55/565140855.db2.gz GTBXJIQFMFWNIB-BEFAXECRSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(Br)cc1 ZINC000292903235 565140860 /nfs/dbraw/zinc/14/08/60/565140860.db2.gz GTBXJIQFMFWNIB-BEFAXECRSA-N 2 2 394.357 3.044 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Br)c1 ZINC000370695655 565157197 /nfs/dbraw/zinc/15/71/97/565157197.db2.gz BZUSPOQUOZLZKQ-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Br)c1 ZINC000370695655 565157202 /nfs/dbraw/zinc/15/72/02/565157202.db2.gz BZUSPOQUOZLZKQ-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000370703930 565157473 /nfs/dbraw/zinc/15/74/73/565157473.db2.gz VPJRPPFGYSNZLP-KSSFIOAISA-N 2 2 386.367 3.460 20 0 GGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000370703930 565157480 /nfs/dbraw/zinc/15/74/80/565157480.db2.gz VPJRPPFGYSNZLP-KSSFIOAISA-N 2 2 386.367 3.460 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Br ZINC000370708762 565158330 /nfs/dbraw/zinc/15/83/30/565158330.db2.gz ICWASMPQGDCMNI-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Br ZINC000370708762 565158331 /nfs/dbraw/zinc/15/83/31/565158331.db2.gz ICWASMPQGDCMNI-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1c([C@H](C)[NH2+]C2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000268709402 565164123 /nfs/dbraw/zinc/16/41/23/565164123.db2.gz CYXQUIQWPOTFDU-LBPRGKRZSA-N 2 2 378.318 3.083 20 0 GGADLP CC(C)[NH+]1CCC([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000268789875 565167574 /nfs/dbraw/zinc/16/75/74/565167574.db2.gz XIQZLOGSKGJSRF-UHFFFAOYSA-N 2 2 375.826 3.364 20 0 GGADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1Br ZINC000158453676 565170154 /nfs/dbraw/zinc/17/01/54/565170154.db2.gz AJGPIFRQWILMON-OAHLLOKOSA-N 2 2 389.341 3.447 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158607954 565175545 /nfs/dbraw/zinc/17/55/45/565175545.db2.gz IWXSEIQOZRLZDC-YJBOKZPZSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158607954 565175550 /nfs/dbraw/zinc/17/55/50/565175550.db2.gz IWXSEIQOZRLZDC-YJBOKZPZSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158607954 565175556 /nfs/dbraw/zinc/17/55/56/565175556.db2.gz IWXSEIQOZRLZDC-YJBOKZPZSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158607954 565175561 /nfs/dbraw/zinc/17/55/61/565175561.db2.gz IWXSEIQOZRLZDC-YJBOKZPZSA-N 2 2 384.351 3.368 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)cc3Br)C2)CC1 ZINC000371105154 565177022 /nfs/dbraw/zinc/17/70/22/565177022.db2.gz ZZDJCDHIDFAFAP-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)cc3Br)C2)CC1 ZINC000371105154 565177024 /nfs/dbraw/zinc/17/70/24/565177024.db2.gz ZZDJCDHIDFAFAP-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000185182627 565184276 /nfs/dbraw/zinc/18/42/76/565184276.db2.gz SZKDUFOEBXYJKH-INIZCTEOSA-N 2 2 375.314 3.279 20 0 GGADLP C[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371305617 565185849 /nfs/dbraw/zinc/18/58/49/565185849.db2.gz ZMISYYZIIWHZPP-KSSFIOAISA-N 2 2 384.337 3.046 20 0 GGADLP COc1ccc(Br)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371301426 565186088 /nfs/dbraw/zinc/18/60/88/565186088.db2.gz UIELDPSEKMNWJL-XYJFISCASA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371301426 565186091 /nfs/dbraw/zinc/18/60/91/565186091.db2.gz UIELDPSEKMNWJL-XYJFISCASA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000371300533 565186249 /nfs/dbraw/zinc/18/62/49/565186249.db2.gz PKTQCYZMYOBYNS-UWWQBHOKSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000371300533 565186253 /nfs/dbraw/zinc/18/62/53/565186253.db2.gz PKTQCYZMYOBYNS-UWWQBHOKSA-N 2 2 383.330 3.141 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000158944367 565188637 /nfs/dbraw/zinc/18/86/37/565188637.db2.gz WOFBTHHKDRBRQT-QGPMSJSTSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000158944367 565188641 /nfs/dbraw/zinc/18/86/41/565188641.db2.gz WOFBTHHKDRBRQT-QGPMSJSTSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000158944367 565188648 /nfs/dbraw/zinc/18/86/48/565188648.db2.gz WOFBTHHKDRBRQT-QGPMSJSTSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Br)cc1 ZINC000158944367 565188651 /nfs/dbraw/zinc/18/86/51/565188651.db2.gz WOFBTHHKDRBRQT-QGPMSJSTSA-N 2 2 394.357 3.042 20 0 GGADLP CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185753272 565220705 /nfs/dbraw/zinc/22/07/05/565220705.db2.gz OIPAQAWFSOSZBQ-GFCCVEGCSA-N 2 2 391.151 3.368 20 0 GGADLP CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185753272 565220709 /nfs/dbraw/zinc/22/07/09/565220709.db2.gz OIPAQAWFSOSZBQ-GFCCVEGCSA-N 2 2 391.151 3.368 20 0 GGADLP C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730729 565218954 /nfs/dbraw/zinc/21/89/54/565218954.db2.gz ZIEKHFXKWMJUGP-SIIHOXLZSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730729 565218958 /nfs/dbraw/zinc/21/89/58/565218958.db2.gz ZIEKHFXKWMJUGP-SIIHOXLZSA-N 2 2 394.357 3.218 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccccc1Br ZINC000372392386 565234521 /nfs/dbraw/zinc/23/45/21/565234521.db2.gz WDMPUNJZZULACW-QGPMSJSTSA-N 2 2 383.330 3.011 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccccc1Br ZINC000372392386 565234526 /nfs/dbraw/zinc/23/45/26/565234526.db2.gz WDMPUNJZZULACW-QGPMSJSTSA-N 2 2 383.330 3.011 20 0 GGADLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2Br)CC1)C(F)(F)F ZINC000271472124 565254494 /nfs/dbraw/zinc/25/44/94/565254494.db2.gz VXNJDMGCRKXIKH-HNNXBMFYSA-N 2 2 395.263 3.316 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC000271797506 565268253 /nfs/dbraw/zinc/26/82/53/565268253.db2.gz KHFYICKPVYBVDR-UHFFFAOYSA-N 2 2 389.359 3.060 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(Br)cs2)CC1 ZINC000271790226 565268597 /nfs/dbraw/zinc/26/85/97/565268597.db2.gz IWLALISCXGXZGL-UHFFFAOYSA-N 2 2 375.332 3.018 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100561 565270218 /nfs/dbraw/zinc/27/02/18/565270218.db2.gz SKQNLUUHTOOEEQ-CZUORRHYSA-N 2 2 382.277 3.235 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100561 565270222 /nfs/dbraw/zinc/27/02/22/565270222.db2.gz SKQNLUUHTOOEEQ-CZUORRHYSA-N 2 2 382.277 3.235 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000373108839 565270243 /nfs/dbraw/zinc/27/02/43/565270243.db2.gz DNVZUIUFWJXEJZ-CYBMUJFWSA-N 2 2 377.286 3.001 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000373108839 565270249 /nfs/dbraw/zinc/27/02/49/565270249.db2.gz DNVZUIUFWJXEJZ-CYBMUJFWSA-N 2 2 377.286 3.001 20 0 GGADLP CN1CC[NH+](CC2CC[NH+](Cc3cccc(Br)c3F)CC2)CC1 ZINC000296122387 565303678 /nfs/dbraw/zinc/30/36/78/565303678.db2.gz TUULGNMWCQCBMC-UHFFFAOYSA-N 2 2 384.337 3.048 20 0 GGADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273391174 565318815 /nfs/dbraw/zinc/31/88/15/565318815.db2.gz DNZFKCKYUFILND-LBPRGKRZSA-N 2 2 376.302 3.340 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)[nH+]c12 ZINC000273433601 565319915 /nfs/dbraw/zinc/31/99/15/565319915.db2.gz LKTWBOSGRWNOGX-JJRVBVJISA-N 3 2 379.346 3.266 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)[nH+]c12 ZINC000273433601 565319917 /nfs/dbraw/zinc/31/99/17/565319917.db2.gz LKTWBOSGRWNOGX-JJRVBVJISA-N 3 2 379.346 3.266 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)[nH+]c12 ZINC000273433602 565320916 /nfs/dbraw/zinc/32/09/16/565320916.db2.gz LKTWBOSGRWNOGX-JKIFEVAISA-N 3 2 379.346 3.266 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)[nH+]c12 ZINC000273433602 565320924 /nfs/dbraw/zinc/32/09/24/565320924.db2.gz LKTWBOSGRWNOGX-JKIFEVAISA-N 3 2 379.346 3.266 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH+]c12 ZINC000273442463 565320986 /nfs/dbraw/zinc/32/09/86/565320986.db2.gz NAHZSPBROKDHST-DOTOQJQBSA-N 3 2 377.330 3.164 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)[nH+]c12 ZINC000273442463 565320990 /nfs/dbraw/zinc/32/09/90/565320990.db2.gz NAHZSPBROKDHST-DOTOQJQBSA-N 3 2 377.330 3.164 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]C3CC[NH+](C(C)C)CC3)[nH+]c12 ZINC000273460740 565321184 /nfs/dbraw/zinc/32/11/84/565321184.db2.gz HPSNMPZNMZJLMB-UHFFFAOYSA-N 3 2 379.346 3.410 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[nH+]c12 ZINC000273442465 565321264 /nfs/dbraw/zinc/32/12/64/565321264.db2.gz NAHZSPBROKDHST-NVXWUHKLSA-N 3 2 377.330 3.164 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)[nH+]c12 ZINC000273442465 565321267 /nfs/dbraw/zinc/32/12/67/565321267.db2.gz NAHZSPBROKDHST-NVXWUHKLSA-N 3 2 377.330 3.164 20 0 GGADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000187306930 565322035 /nfs/dbraw/zinc/32/20/35/565322035.db2.gz URAKKGFYFSVLLH-ZWKOTPCHSA-N 2 2 397.357 3.315 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ncc1F ZINC000273819460 565339408 /nfs/dbraw/zinc/33/94/08/565339408.db2.gz CMWLRXGZVSGVSI-CHWSQXEVSA-N 2 2 386.309 3.135 20 0 GGADLP COCCC[C@@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297355372 565368935 /nfs/dbraw/zinc/36/89/35/565368935.db2.gz PJGLJSKXTDDSAO-RBUKOAKNSA-N 2 2 399.373 3.353 20 0 GGADLP COCCC[C@@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297355372 565368939 /nfs/dbraw/zinc/36/89/39/565368939.db2.gz PJGLJSKXTDDSAO-RBUKOAKNSA-N 2 2 399.373 3.353 20 0 GGADLP Clc1ccccc1C[NH+]1CCC([NH2+]CCc2cn3c(n2)SCC3)CC1 ZINC000274378891 565369185 /nfs/dbraw/zinc/36/91/85/565369185.db2.gz MKDCOOMYCNEECR-UHFFFAOYSA-N 2 2 376.957 3.439 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000166364820 565374438 /nfs/dbraw/zinc/37/44/38/565374438.db2.gz PSZRSRBTHYLCTH-KRWDZBQOSA-N 2 2 377.330 3.435 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000166364820 565374449 /nfs/dbraw/zinc/37/44/49/565374449.db2.gz PSZRSRBTHYLCTH-KRWDZBQOSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274694380 565376912 /nfs/dbraw/zinc/37/69/12/565376912.db2.gz VWBYXANLABOBIW-VIFPVBQESA-N 2 2 388.107 3.169 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000167615224 565379995 /nfs/dbraw/zinc/37/99/95/565379995.db2.gz XDKXKUOJJBFBFL-SFHVURJKSA-N 2 2 394.357 3.044 20 0 GGADLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000168904945 565381812 /nfs/dbraw/zinc/38/18/12/565381812.db2.gz MIPLOUDTCCKXQY-LJQANCHMSA-N 2 2 388.383 3.424 20 0 GGADLP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(Br)c1 ZINC000375758728 565405478 /nfs/dbraw/zinc/40/54/78/565405478.db2.gz PQDFAVAIGCAEMO-CQSZACIVSA-N 2 2 383.330 3.048 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4ccsc4)n3)C2)CC1 ZINC000375889857 565411536 /nfs/dbraw/zinc/41/15/36/565411536.db2.gz LNQUXLAMASWAPD-GOSISDBHSA-N 2 2 376.595 3.472 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)CC1 ZINC000375889857 565411542 /nfs/dbraw/zinc/41/15/42/565411542.db2.gz LNQUXLAMASWAPD-GOSISDBHSA-N 2 2 376.595 3.472 20 0 GGADLP O[C@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188618703 565413674 /nfs/dbraw/zinc/41/36/74/565413674.db2.gz KTQLZDWBTGGKJZ-GXTWGEPZSA-N 2 2 376.385 3.476 20 0 GGADLP O[C@@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188618681 565413856 /nfs/dbraw/zinc/41/38/56/565413856.db2.gz KTQLZDWBTGGKJZ-OCCSQVGLSA-N 2 2 376.385 3.476 20 0 GGADLP C[C@@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376203339 565426097 /nfs/dbraw/zinc/42/60/97/565426097.db2.gz MQJWRPVCGWGKGJ-QAPCUYQASA-N 2 2 386.367 3.330 20 0 GGADLP C[C@@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376203339 565426099 /nfs/dbraw/zinc/42/60/99/565426099.db2.gz MQJWRPVCGWGKGJ-QAPCUYQASA-N 2 2 386.367 3.330 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1Br ZINC000299198853 565443537 /nfs/dbraw/zinc/44/35/37/565443537.db2.gz FRRAZFJPGRYBKA-CABCVRRESA-N 2 2 380.330 3.336 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccccc1Br ZINC000299198853 565443545 /nfs/dbraw/zinc/44/35/45/565443545.db2.gz FRRAZFJPGRYBKA-CABCVRRESA-N 2 2 380.330 3.336 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1Br ZINC000299198853 565443548 /nfs/dbraw/zinc/44/35/48/565443548.db2.gz FRRAZFJPGRYBKA-CABCVRRESA-N 2 2 380.330 3.336 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1Br ZINC000299198853 565443555 /nfs/dbraw/zinc/44/35/55/565443555.db2.gz FRRAZFJPGRYBKA-CABCVRRESA-N 2 2 380.330 3.336 20 0 GGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636889 565446664 /nfs/dbraw/zinc/44/66/64/565446664.db2.gz MHWDPWGLMDVDHH-GPMSIDNRSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636889 565446666 /nfs/dbraw/zinc/44/66/66/565446666.db2.gz MHWDPWGLMDVDHH-GPMSIDNRSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636891 565446845 /nfs/dbraw/zinc/44/68/45/565446845.db2.gz MHWDPWGLMDVDHH-MDZRGWNJSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636891 565446849 /nfs/dbraw/zinc/44/68/49/565446849.db2.gz MHWDPWGLMDVDHH-MDZRGWNJSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1Cl ZINC000189467722 565467386 /nfs/dbraw/zinc/46/73/86/565467386.db2.gz DASOITIDCDWXFF-ZDUSSCGKSA-N 2 2 380.323 3.386 20 0 GGADLP COc1c(Br)cccc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377627376 565489801 /nfs/dbraw/zinc/48/98/01/565489801.db2.gz NGZMONWHUOJBLM-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP COc1c(Br)cccc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377627376 565489805 /nfs/dbraw/zinc/48/98/05/565489805.db2.gz NGZMONWHUOJBLM-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301537413 565493988 /nfs/dbraw/zinc/49/39/88/565493988.db2.gz MYTHFDONLATNGY-UHFFFAOYSA-N 3 2 377.330 3.435 20 0 GGADLP CCOC(=O)C[N@@H+]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301595193 565498140 /nfs/dbraw/zinc/49/81/40/565498140.db2.gz VPNTZJHDUUMRDQ-UHFFFAOYSA-N 2 2 392.297 3.073 20 0 GGADLP CCOC(=O)C[N@H+]1CCCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301595193 565498150 /nfs/dbraw/zinc/49/81/50/565498150.db2.gz VPNTZJHDUUMRDQ-UHFFFAOYSA-N 2 2 392.297 3.073 20 0 GGADLP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378310332 565521393 /nfs/dbraw/zinc/52/13/93/565521393.db2.gz CEBWBAWRKVCFDN-CRAIPNDOSA-N 2 2 386.367 3.330 20 0 GGADLP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378310332 565521397 /nfs/dbraw/zinc/52/13/97/565521397.db2.gz CEBWBAWRKVCFDN-CRAIPNDOSA-N 2 2 386.367 3.330 20 0 GGADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(Br)ccc12 ZINC000302285877 565539531 /nfs/dbraw/zinc/53/95/31/565539531.db2.gz VQIIBPCJLJRXBB-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(Br)ccc12 ZINC000302285877 565539533 /nfs/dbraw/zinc/53/95/33/565539533.db2.gz VQIIBPCJLJRXBB-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000380931211 565541507 /nfs/dbraw/zinc/54/15/07/565541507.db2.gz GOSXVRGATODODX-MAUKXSAKSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+]1Cc1ccccc1 ZINC000380931211 565541511 /nfs/dbraw/zinc/54/15/11/565541511.db2.gz GOSXVRGATODODX-MAUKXSAKSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ncc(I)s1 ZINC000302542395 565544732 /nfs/dbraw/zinc/54/47/32/565544732.db2.gz MLINVXTTWMHSEL-LLVKDONJSA-N 2 2 379.311 3.102 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ncc(I)s1 ZINC000302542395 565544738 /nfs/dbraw/zinc/54/47/38/565544738.db2.gz MLINVXTTWMHSEL-LLVKDONJSA-N 2 2 379.311 3.102 20 0 GGADLP C[N@H+](CC[NH2+]Cc1cc2c(c(Br)c1)OCO2)Cc1ccccc1 ZINC000386890660 565549651 /nfs/dbraw/zinc/54/96/51/565549651.db2.gz NKQHKSDLKOTWOZ-UHFFFAOYSA-N 2 2 377.282 3.399 20 0 GGADLP C[N@@H+](CC[NH2+]Cc1cc2c(c(Br)c1)OCO2)Cc1ccccc1 ZINC000386890660 565549657 /nfs/dbraw/zinc/54/96/57/565549657.db2.gz NKQHKSDLKOTWOZ-UHFFFAOYSA-N 2 2 377.282 3.399 20 0 GGADLP Cc1ccc(Br)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000173348603 565550146 /nfs/dbraw/zinc/55/01/46/565550146.db2.gz XGXNQBWCEHVDNY-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP c1csc([C@@H](CNc2cc(N3CCSCC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000302782021 565557044 /nfs/dbraw/zinc/55/70/44/565557044.db2.gz JYDTZABAPWPBIR-OAHLLOKOSA-N 2 2 375.567 3.340 20 0 GGADLP Brc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC000390907571 565558791 /nfs/dbraw/zinc/55/87/91/565558791.db2.gz LXCSHMBUZHARCG-LJQANCHMSA-N 2 2 390.325 3.225 20 0 GGADLP Brc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)nc1 ZINC000390907571 565558798 /nfs/dbraw/zinc/55/87/98/565558798.db2.gz LXCSHMBUZHARCG-LJQANCHMSA-N 2 2 390.325 3.225 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394599966 565572270 /nfs/dbraw/zinc/57/22/70/565572270.db2.gz DADPBGMSZADMNY-JTQLQIEISA-N 2 2 377.124 3.038 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394599966 565572276 /nfs/dbraw/zinc/57/22/76/565572276.db2.gz DADPBGMSZADMNY-JTQLQIEISA-N 2 2 377.124 3.038 20 0 GGADLP C[N@H+](CC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)Cc1ccccc1 ZINC000395758941 565574167 /nfs/dbraw/zinc/57/41/67/565574167.db2.gz SPUDKNZNUAWQAL-UHFFFAOYSA-N 2 2 391.309 3.442 20 0 GGADLP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000303987618 565576480 /nfs/dbraw/zinc/57/64/80/565576480.db2.gz LJIZOIVMDMRNBH-UHFFFAOYSA-N 2 2 376.298 3.239 20 0 GGADLP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000303987618 565576484 /nfs/dbraw/zinc/57/64/84/565576484.db2.gz LJIZOIVMDMRNBH-UHFFFAOYSA-N 2 2 376.298 3.239 20 0 GGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@H]1CC[NH3+] ZINC000404341094 565582792 /nfs/dbraw/zinc/58/27/92/565582792.db2.gz DWUPVHYOIQVZEU-ABAIWWIYSA-N 2 2 388.737 3.490 20 0 GGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@H]1CC[NH3+] ZINC000404341094 565582799 /nfs/dbraw/zinc/58/27/99/565582799.db2.gz DWUPVHYOIQVZEU-ABAIWWIYSA-N 2 2 388.737 3.490 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@H]1CC[NH3+] ZINC000404278273 565582809 /nfs/dbraw/zinc/58/28/09/565582809.db2.gz OGDMNWSWEPSFET-WFASDCNBSA-N 2 2 379.302 3.448 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@H]1CC[NH3+] ZINC000404278273 565582815 /nfs/dbraw/zinc/58/28/15/565582815.db2.gz OGDMNWSWEPSFET-WFASDCNBSA-N 2 2 379.302 3.448 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173783023 565586323 /nfs/dbraw/zinc/58/63/23/565586323.db2.gz MUZUGSSACMZTJL-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173783023 565586331 /nfs/dbraw/zinc/58/63/31/565586331.db2.gz MUZUGSSACMZTJL-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405421744 565587087 /nfs/dbraw/zinc/58/70/87/565587087.db2.gz DRBYRFUANWNKDE-NSHDSACASA-N 2 2 378.685 3.376 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405421744 565587091 /nfs/dbraw/zinc/58/70/91/565587091.db2.gz DRBYRFUANWNKDE-NSHDSACASA-N 2 2 378.685 3.376 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1Br ZINC000279134572 565597237 /nfs/dbraw/zinc/59/72/37/565597237.db2.gz NEUSOQVDXOCWFU-QGZVFWFLSA-N 2 2 391.357 3.145 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1Br ZINC000279134572 565597242 /nfs/dbraw/zinc/59/72/42/565597242.db2.gz NEUSOQVDXOCWFU-QGZVFWFLSA-N 2 2 391.357 3.145 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173911654 565598192 /nfs/dbraw/zinc/59/81/92/565598192.db2.gz ZYFROHGVIRMXMD-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173911654 565598198 /nfs/dbraw/zinc/59/81/98/565598198.db2.gz ZYFROHGVIRMXMD-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173911654 565598201 /nfs/dbraw/zinc/59/82/01/565598201.db2.gz ZYFROHGVIRMXMD-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173911654 565598207 /nfs/dbraw/zinc/59/82/07/565598207.db2.gz ZYFROHGVIRMXMD-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP CC[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000173933199 565601077 /nfs/dbraw/zinc/60/10/77/565601077.db2.gz HLVHZAAAWZAHRG-GOSISDBHSA-N 2 2 379.595 3.001 20 0 GGADLP CC[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000173933199 565601079 /nfs/dbraw/zinc/60/10/79/565601079.db2.gz HLVHZAAAWZAHRG-GOSISDBHSA-N 2 2 379.595 3.001 20 0 GGADLP C[N@H+](Cc1ccc(Br)o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000191536414 565611598 /nfs/dbraw/zinc/61/15/98/565611598.db2.gz AHCCJMGNVHINMY-SFHVURJKSA-N 2 2 379.298 3.111 20 0 GGADLP C[N@@H+](Cc1ccc(Br)o1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000191536414 565611602 /nfs/dbraw/zinc/61/16/02/565611602.db2.gz AHCCJMGNVHINMY-SFHVURJKSA-N 2 2 379.298 3.111 20 0 GGADLP C[NH+](Cc1ccc(Br)o1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000191536414 565611604 /nfs/dbraw/zinc/61/16/04/565611604.db2.gz AHCCJMGNVHINMY-SFHVURJKSA-N 2 2 379.298 3.111 20 0 GGADLP C[NH+](Cc1ccc(Br)o1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000191536414 565611606 /nfs/dbraw/zinc/61/16/06/565611606.db2.gz AHCCJMGNVHINMY-SFHVURJKSA-N 2 2 379.298 3.111 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000174212220 565621741 /nfs/dbraw/zinc/62/17/41/565621741.db2.gz YVXONNRVGXZJKO-MRXNPFEDSA-N 2 2 396.373 3.071 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000174212220 565621745 /nfs/dbraw/zinc/62/17/45/565621745.db2.gz YVXONNRVGXZJKO-MRXNPFEDSA-N 2 2 396.373 3.071 20 0 GGADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)[C@H](C)C1 ZINC000409644140 565630390 /nfs/dbraw/zinc/63/03/90/565630390.db2.gz LPPISKFFGCNJKJ-VXGBXAGGSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)[C@H](C)C1 ZINC000409644140 565630391 /nfs/dbraw/zinc/63/03/91/565630391.db2.gz LPPISKFFGCNJKJ-VXGBXAGGSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280065893 565649181 /nfs/dbraw/zinc/64/91/81/565649181.db2.gz KRVNIXXKRZTZIT-TUAOUCFPSA-N 2 2 394.368 3.164 20 0 GGADLP C[N@H+](Cc1ccc(Br)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658852 565649716 /nfs/dbraw/zinc/64/97/16/565649716.db2.gz PBMKQZZUJGBLIL-UHFFFAOYSA-N 2 2 389.341 3.378 20 0 GGADLP C[N@@H+](Cc1ccc(Br)cn1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658852 565649722 /nfs/dbraw/zinc/64/97/22/565649722.db2.gz PBMKQZZUJGBLIL-UHFFFAOYSA-N 2 2 389.341 3.378 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073952 565655800 /nfs/dbraw/zinc/65/58/00/565655800.db2.gz USLPVHRDZVPKMP-MAUKXSAKSA-N 2 2 394.357 3.218 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073952 565655806 /nfs/dbraw/zinc/65/58/06/565655806.db2.gz USLPVHRDZVPKMP-MAUKXSAKSA-N 2 2 394.357 3.218 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073952 565655812 /nfs/dbraw/zinc/65/58/12/565655812.db2.gz USLPVHRDZVPKMP-MAUKXSAKSA-N 2 2 394.357 3.218 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073952 565655817 /nfs/dbraw/zinc/65/58/17/565655817.db2.gz USLPVHRDZVPKMP-MAUKXSAKSA-N 2 2 394.357 3.218 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000280210298 565658881 /nfs/dbraw/zinc/65/88/81/565658881.db2.gz UBWHZJQRTPYZMF-GOSISDBHSA-N 2 2 385.321 3.476 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000174944801 565668672 /nfs/dbraw/zinc/66/86/72/565668672.db2.gz ILMWHVRKTKMXQK-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000174944801 565668676 /nfs/dbraw/zinc/66/86/76/565668676.db2.gz ILMWHVRKTKMXQK-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000174944801 565668680 /nfs/dbraw/zinc/66/86/80/565668680.db2.gz ILMWHVRKTKMXQK-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000174944801 565668685 /nfs/dbraw/zinc/66/86/85/565668685.db2.gz ILMWHVRKTKMXQK-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP Cc1cc(Br)cc(C)c1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000175209882 565685200 /nfs/dbraw/zinc/68/52/00/565685200.db2.gz HFIQJLOAVLRHIT-UHFFFAOYSA-N 2 2 397.361 3.213 20 0 GGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192622149 565701970 /nfs/dbraw/zinc/70/19/70/565701970.db2.gz TTZQNWMNHLKOFU-MSOLQXFVSA-N 2 2 385.321 3.446 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Br)c3Cl)C2)CC1 ZINC000411250933 565719998 /nfs/dbraw/zinc/71/99/98/565719998.db2.gz GUAHDEQBCZHKQK-OAHLLOKOSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(Br)c3Cl)C2)CC1 ZINC000411250933 565720004 /nfs/dbraw/zinc/72/00/04/565720004.db2.gz GUAHDEQBCZHKQK-OAHLLOKOSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Br)c3Cl)C2)CC1 ZINC000411250932 565720580 /nfs/dbraw/zinc/72/05/80/565720580.db2.gz GUAHDEQBCZHKQK-HNNXBMFYSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Br)c3Cl)C2)CC1 ZINC000411250932 565720585 /nfs/dbraw/zinc/72/05/85/565720585.db2.gz GUAHDEQBCZHKQK-HNNXBMFYSA-N 2 2 386.765 3.314 20 0 GGADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000175777821 565724258 /nfs/dbraw/zinc/72/42/58/565724258.db2.gz XLGFIKOBVCQPAU-ZDUSSCGKSA-N 2 2 387.355 3.380 20 0 GGADLP CC(C)(C)OC(=O)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000411716313 565747031 /nfs/dbraw/zinc/74/70/31/565747031.db2.gz DSVLPIZJSHTFJR-UHFFFAOYSA-N 2 2 398.301 3.473 20 0 GGADLP CC(C)(C)OC(=O)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000411716313 565747036 /nfs/dbraw/zinc/74/70/36/565747036.db2.gz DSVLPIZJSHTFJR-UHFFFAOYSA-N 2 2 398.301 3.473 20 0 GGADLP CN(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000176344796 565765771 /nfs/dbraw/zinc/76/57/71/565765771.db2.gz MSZPEMGOSZJXPL-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000282181831 565768541 /nfs/dbraw/zinc/76/85/41/565768541.db2.gz ZMMPFBAHNUQAKW-HOTGVXAUSA-N 2 2 389.284 3.195 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331882945 565789607 /nfs/dbraw/zinc/78/96/07/565789607.db2.gz ITXLSMLVLBKDSM-GFCCVEGCSA-N 2 2 377.286 3.379 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000177152289 565831937 /nfs/dbraw/zinc/83/19/37/565831937.db2.gz KGQYWLPIPBFFNU-HOTGVXAUSA-N 2 2 384.351 3.239 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000177152692 565832083 /nfs/dbraw/zinc/83/20/83/565832083.db2.gz UHQRYWJLRHCBPP-SJORKVTESA-N 2 2 384.351 3.239 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000177153733 565832420 /nfs/dbraw/zinc/83/24/20/565832420.db2.gz YJWJYKZWOPUUKI-ROUUACIJSA-N 2 2 384.351 3.239 20 0 GGADLP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000332611033 565847434 /nfs/dbraw/zinc/84/74/34/565847434.db2.gz FTNBKKQVEHTHBM-STQMWFEESA-N 2 2 396.333 3.001 20 0 GGADLP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000332611033 565847437 /nfs/dbraw/zinc/84/74/37/565847437.db2.gz FTNBKKQVEHTHBM-STQMWFEESA-N 2 2 396.333 3.001 20 0 GGADLP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000332611032 565847656 /nfs/dbraw/zinc/84/76/56/565847656.db2.gz FTNBKKQVEHTHBM-QWHCGFSZSA-N 2 2 396.333 3.001 20 0 GGADLP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000332611032 565847662 /nfs/dbraw/zinc/84/76/62/565847662.db2.gz FTNBKKQVEHTHBM-QWHCGFSZSA-N 2 2 396.333 3.001 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3Br)CC2)CC1 ZINC000195341740 565877107 /nfs/dbraw/zinc/87/71/07/565877107.db2.gz FDPCMOMZCXNBGR-UHFFFAOYSA-N 2 2 395.345 3.129 20 0 GGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1Br ZINC000285128041 565889310 /nfs/dbraw/zinc/88/93/10/565889310.db2.gz NUFWBJLSSIZTSO-HNSVSWJLSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1Br ZINC000285128041 565889312 /nfs/dbraw/zinc/88/93/12/565889312.db2.gz NUFWBJLSSIZTSO-HNSVSWJLSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000285203422 565893192 /nfs/dbraw/zinc/89/31/92/565893192.db2.gz SWEHYJLVOABNHR-DXJOGWAWSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000285203422 565893197 /nfs/dbraw/zinc/89/31/97/565893197.db2.gz SWEHYJLVOABNHR-DXJOGWAWSA-N 2 2 394.357 3.183 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000333758354 565896134 /nfs/dbraw/zinc/89/61/34/565896134.db2.gz CFHDJZAZMHZPIO-QAPCUYQASA-N 2 2 394.288 3.469 20 0 GGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000285285921 565898876 /nfs/dbraw/zinc/89/88/76/565898876.db2.gz ZPRZLNOPWSESNQ-DXJOGWAWSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000285285921 565898880 /nfs/dbraw/zinc/89/88/80/565898880.db2.gz ZPRZLNOPWSESNQ-DXJOGWAWSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000285285925 565898960 /nfs/dbraw/zinc/89/89/60/565898960.db2.gz ZPRZLNOPWSESNQ-TZUVLKIQSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Br)cc1 ZINC000285285925 565898964 /nfs/dbraw/zinc/89/89/64/565898964.db2.gz ZPRZLNOPWSESNQ-TZUVLKIQSA-N 2 2 394.357 3.183 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3cc4n(n3)CCC4)[nH+]c12 ZINC000414151190 565899539 /nfs/dbraw/zinc/89/95/39/565899539.db2.gz YWOSGWOORFXNGK-CYBMUJFWSA-N 2 2 388.313 3.441 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414151747 565899620 /nfs/dbraw/zinc/89/96/20/565899620.db2.gz ZDAQVXHDDUWQBL-OALUTQOASA-N 2 2 375.310 3.195 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414151747 565899624 /nfs/dbraw/zinc/89/96/24/565899624.db2.gz ZDAQVXHDDUWQBL-OALUTQOASA-N 2 2 375.310 3.195 20 0 GGADLP Ic1cnc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)s1 ZINC000285489281 565910154 /nfs/dbraw/zinc/91/01/54/565910154.db2.gz PEJVVRPHQXGFSN-UHFFFAOYSA-N 2 2 398.273 3.346 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2c[nH+]cn2C)C1=O ZINC000285518269 565912119 /nfs/dbraw/zinc/91/21/19/565912119.db2.gz OTODQUUAQYUXGD-MRXNPFEDSA-N 2 2 391.313 3.085 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414352097 565913666 /nfs/dbraw/zinc/91/36/66/565913666.db2.gz PEAAYCKRXFQNND-FOIQADDNSA-N 2 2 392.385 3.486 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414352097 565913668 /nfs/dbraw/zinc/91/36/68/565913668.db2.gz PEAAYCKRXFQNND-FOIQADDNSA-N 2 2 392.385 3.486 20 0 GGADLP C[NH+](C)Cc1cccc(C[NH2+]Cc2ncc(I)s2)c1 ZINC000285581908 565915386 /nfs/dbraw/zinc/91/53/86/565915386.db2.gz WYNZVZOCXRRFIW-UHFFFAOYSA-N 2 2 387.290 3.099 20 0 GGADLP C[C@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Br)cc1 ZINC000285665278 565921237 /nfs/dbraw/zinc/92/12/37/565921237.db2.gz ZICZHFXPPFIVTD-BXEVVDMOSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Br)cc1 ZINC000285665278 565921243 /nfs/dbraw/zinc/92/12/43/565921243.db2.gz ZICZHFXPPFIVTD-BXEVVDMOSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000285665278 565921248 /nfs/dbraw/zinc/92/12/48/565921248.db2.gz ZICZHFXPPFIVTD-BXEVVDMOSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000285665278 565921252 /nfs/dbraw/zinc/92/12/52/565921252.db2.gz ZICZHFXPPFIVTD-BXEVVDMOSA-N 2 2 394.357 3.183 20 0 GGADLP CC[N@H+](CCC1CC[NH+](Cc2ccc(S(C)(=O)=O)s2)CC1)CC1CC1 ZINC000414397709 565923686 /nfs/dbraw/zinc/92/36/86/565923686.db2.gz IDPOTNCZQCIKIT-UHFFFAOYSA-N 2 2 384.611 3.486 20 0 GGADLP CC[N@@H+](CCC1CC[NH+](Cc2ccc(S(C)(=O)=O)s2)CC1)CC1CC1 ZINC000414397709 565923688 /nfs/dbraw/zinc/92/36/88/565923688.db2.gz IDPOTNCZQCIKIT-UHFFFAOYSA-N 2 2 384.611 3.486 20 0 GGADLP CCc1ncc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000414440147 565933133 /nfs/dbraw/zinc/93/31/33/565933133.db2.gz HJGLPRMQWBFMMZ-UHFFFAOYSA-N 2 2 390.285 3.293 20 0 GGADLP CCc1ncc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000414440147 565933135 /nfs/dbraw/zinc/93/31/35/565933135.db2.gz HJGLPRMQWBFMMZ-UHFFFAOYSA-N 2 2 390.285 3.293 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000234337628 565935442 /nfs/dbraw/zinc/93/54/42/565935442.db2.gz NPSQCTMMEGHFFP-JTQLQIEISA-N 2 2 392.135 3.349 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000234337628 565935444 /nfs/dbraw/zinc/93/54/44/565935444.db2.gz NPSQCTMMEGHFFP-JTQLQIEISA-N 2 2 392.135 3.349 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236849025 565947109 /nfs/dbraw/zinc/94/71/09/565947109.db2.gz ZOXACHNYDBXYMX-KRWDZBQOSA-N 2 2 385.335 3.452 20 0 GGADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Br)c1 ZINC000179018134 565953566 /nfs/dbraw/zinc/95/35/66/565953566.db2.gz LYGORBVPJONXSB-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc(Br)c1OC(F)F ZINC000237277960 565955166 /nfs/dbraw/zinc/95/51/66/565955166.db2.gz SZGXPGDGNHLIMD-LLVKDONJSA-N 2 2 379.245 3.243 20 0 GGADLP COc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc(Br)c1OC(F)F ZINC000237277960 565955169 /nfs/dbraw/zinc/95/51/69/565955169.db2.gz SZGXPGDGNHLIMD-LLVKDONJSA-N 2 2 379.245 3.243 20 0 GGADLP C[NH2+]CC[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000414834947 565962777 /nfs/dbraw/zinc/96/27/77/565962777.db2.gz UIYUCSSXFFJJEI-UHFFFAOYSA-N 2 2 379.298 3.346 20 0 GGADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C2)ccc1OCc1ccc(Br)cc1 ZINC000414868149 565964174 /nfs/dbraw/zinc/96/41/74/565964174.db2.gz HNJMXWDKZWKDRP-QGZVFWFLSA-N 2 2 391.309 3.488 20 0 GGADLP C[C@@]1(C[NH2+]Cc2ncc(Br)cc2Br)CCC[NH2+]C1 ZINC000414919532 565965409 /nfs/dbraw/zinc/96/54/09/565965409.db2.gz XHXNJTFDLCOZKN-CYBMUJFWSA-N 2 2 377.124 3.086 20 0 GGADLP COc1cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc(Br)c1OC(F)F ZINC000414955984 565966442 /nfs/dbraw/zinc/96/64/42/565966442.db2.gz PGUKLKWQBMQACG-BXKDBHETSA-N 2 2 379.245 3.289 20 0 GGADLP COc1cc(C[NH2+][C@@H](C)C[NH3+])cc(Br)c1OCc1ccccc1 ZINC000414945325 565966909 /nfs/dbraw/zinc/96/69/09/565966909.db2.gz QBQCUXOSSUYWPU-ZDUSSCGKSA-N 2 2 379.298 3.474 20 0 GGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000414980429 565968305 /nfs/dbraw/zinc/96/83/05/565968305.db2.gz WVWNPGXEAZIQOP-GFCCVEGCSA-N 2 2 377.124 3.084 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1Br ZINC000414999110 565969692 /nfs/dbraw/zinc/96/96/92/565969692.db2.gz ISZFWZLTMWEESS-GOEBONIOSA-N 2 2 395.320 3.113 20 0 GGADLP COc1cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc(Br)c1OC(F)F ZINC000415040410 565970668 /nfs/dbraw/zinc/97/06/68/565970668.db2.gz OBQMREYSVXQEOJ-GFCCVEGCSA-N 2 2 379.245 3.289 20 0 GGADLP Brc1cc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc2c1OCCO2 ZINC000415037132 565970873 /nfs/dbraw/zinc/97/08/73/565970873.db2.gz GHGUQUUIZQINOD-DOTOQJQBSA-N 2 2 389.293 3.066 20 0 GGADLP Cc1cc(Br)cn2c(CN[C@@H]3C[NH2+]C[C@H]3c3ccccc3)c[nH+]c12 ZINC000415056538 565972081 /nfs/dbraw/zinc/97/20/81/565972081.db2.gz SETVXWNQLYJGHM-ZWKOTPCHSA-N 2 2 385.309 3.250 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415135428 565976432 /nfs/dbraw/zinc/97/64/32/565976432.db2.gz WRKZMYAYBDOQHM-GDBMZVCRSA-N 2 2 385.346 3.281 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415135428 565976438 /nfs/dbraw/zinc/97/64/38/565976438.db2.gz WRKZMYAYBDOQHM-GDBMZVCRSA-N 2 2 385.346 3.281 20 0 GGADLP COc1cc(C[NH2+]Cc2cccc3[nH+]ccn32)cc(Br)c1OC ZINC000179423830 565979985 /nfs/dbraw/zinc/97/99/85/565979985.db2.gz CQOFBQPPQJAWFM-UHFFFAOYSA-N 2 2 376.254 3.404 20 0 GGADLP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ncc(Br)s1 ZINC000179510817 565985493 /nfs/dbraw/zinc/98/54/93/565985493.db2.gz JZCGEOMPMIVCJI-LLVKDONJSA-N 2 2 385.331 3.092 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245448399 565992036 /nfs/dbraw/zinc/99/20/36/565992036.db2.gz MUZUGSSACMZTJL-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245448399 565992041 /nfs/dbraw/zinc/99/20/41/565992041.db2.gz MUZUGSSACMZTJL-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP Brc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000179613735 565992962 /nfs/dbraw/zinc/99/29/62/565992962.db2.gz JHROUPYWRFUSOO-BEFAXECRSA-N 2 2 379.342 3.481 20 0 GGADLP Brc1ccc2c(c1)[C@@H]([N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000179613735 565992965 /nfs/dbraw/zinc/99/29/65/565992965.db2.gz JHROUPYWRFUSOO-BEFAXECRSA-N 2 2 379.342 3.481 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000363449935 566006277 /nfs/dbraw/zinc/00/62/77/566006277.db2.gz MWKUYINCWUZWSX-KRWDZBQOSA-N 2 2 376.595 3.472 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000363449935 566006283 /nfs/dbraw/zinc/00/62/83/566006283.db2.gz MWKUYINCWUZWSX-KRWDZBQOSA-N 2 2 376.595 3.472 20 0 GGADLP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCSC1 ZINC000245865631 566009118 /nfs/dbraw/zinc/00/91/18/566009118.db2.gz LJFWHSMGPHUDCQ-YJBOKZPZSA-N 2 2 381.973 3.030 20 0 GGADLP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCSC1 ZINC000245865631 566009124 /nfs/dbraw/zinc/00/91/24/566009124.db2.gz LJFWHSMGPHUDCQ-YJBOKZPZSA-N 2 2 381.973 3.030 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180043756 566028325 /nfs/dbraw/zinc/02/83/25/566028325.db2.gz PZNVPMQIKXBMLV-OAHLLOKOSA-N 2 2 377.330 3.408 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180043756 566028330 /nfs/dbraw/zinc/02/83/30/566028330.db2.gz PZNVPMQIKXBMLV-OAHLLOKOSA-N 2 2 377.330 3.408 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180043756 566028336 /nfs/dbraw/zinc/02/83/36/566028336.db2.gz PZNVPMQIKXBMLV-OAHLLOKOSA-N 2 2 377.330 3.408 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180043756 566028342 /nfs/dbraw/zinc/02/83/42/566028342.db2.gz PZNVPMQIKXBMLV-OAHLLOKOSA-N 2 2 377.330 3.408 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ncc(Br)s1 ZINC000246468206 566029677 /nfs/dbraw/zinc/02/96/77/566029677.db2.gz QHHWIIIDSZSJIX-FPMFFAJLSA-N 2 2 388.375 3.324 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000246441433 566030202 /nfs/dbraw/zinc/03/02/02/566030202.db2.gz DFEUTLOUCABHDQ-KBXCAEBGSA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000246441433 566030212 /nfs/dbraw/zinc/03/02/12/566030212.db2.gz DFEUTLOUCABHDQ-KBXCAEBGSA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000246441433 566030215 /nfs/dbraw/zinc/03/02/15/566030215.db2.gz DFEUTLOUCABHDQ-KBXCAEBGSA-N 2 2 392.341 3.336 20 0 GGADLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000287697081 566034855 /nfs/dbraw/zinc/03/48/55/566034855.db2.gz SYBHELDVMQJQCE-UHFFFAOYSA-N 2 2 381.307 3.430 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000246877599 566044353 /nfs/dbraw/zinc/04/43/53/566044353.db2.gz DGELEYPZDBHLCI-RKVPGOIHSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000246877599 566044359 /nfs/dbraw/zinc/04/43/59/566044359.db2.gz DGELEYPZDBHLCI-RKVPGOIHSA-N 2 2 377.330 3.287 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247986943 566069339 /nfs/dbraw/zinc/06/93/39/566069339.db2.gz IWXSEIQOZRLZDC-CRAIPNDOSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247986943 566069345 /nfs/dbraw/zinc/06/93/45/566069345.db2.gz IWXSEIQOZRLZDC-CRAIPNDOSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247986943 566069351 /nfs/dbraw/zinc/06/93/51/566069351.db2.gz IWXSEIQOZRLZDC-CRAIPNDOSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247986943 566069355 /nfs/dbraw/zinc/06/93/55/566069355.db2.gz IWXSEIQOZRLZDC-CRAIPNDOSA-N 2 2 384.351 3.368 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@H]21 ZINC000247968869 566069398 /nfs/dbraw/zinc/06/93/98/566069398.db2.gz HAVXCJFZMZGFCP-DGCLKSJQSA-N 2 2 397.342 3.477 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@H]21 ZINC000247968869 566069404 /nfs/dbraw/zinc/06/94/04/566069404.db2.gz HAVXCJFZMZGFCP-DGCLKSJQSA-N 2 2 397.342 3.477 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@H]21 ZINC000247968869 566069409 /nfs/dbraw/zinc/06/94/09/566069409.db2.gz HAVXCJFZMZGFCP-DGCLKSJQSA-N 2 2 397.342 3.477 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@H]21 ZINC000247968869 566069410 /nfs/dbraw/zinc/06/94/10/566069410.db2.gz HAVXCJFZMZGFCP-DGCLKSJQSA-N 2 2 397.342 3.477 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000248181997 566073658 /nfs/dbraw/zinc/07/36/58/566073658.db2.gz WOFBTHHKDRBRQT-QILLFSRXSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000248181997 566073660 /nfs/dbraw/zinc/07/36/60/566073660.db2.gz WOFBTHHKDRBRQT-QILLFSRXSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000248181997 566073662 /nfs/dbraw/zinc/07/36/62/566073662.db2.gz WOFBTHHKDRBRQT-QILLFSRXSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Br)cc1 ZINC000248181997 566073664 /nfs/dbraw/zinc/07/36/64/566073664.db2.gz WOFBTHHKDRBRQT-QILLFSRXSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248185139 566074570 /nfs/dbraw/zinc/07/45/70/566074570.db2.gz XDWAPCCRKGCUTF-JKIFEVAISA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248185139 566074579 /nfs/dbraw/zinc/07/45/79/566074579.db2.gz XDWAPCCRKGCUTF-JKIFEVAISA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248185139 566074585 /nfs/dbraw/zinc/07/45/85/566074585.db2.gz XDWAPCCRKGCUTF-JKIFEVAISA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248185139 566074591 /nfs/dbraw/zinc/07/45/91/566074591.db2.gz XDWAPCCRKGCUTF-JKIFEVAISA-N 2 2 380.330 3.192 20 0 GGADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(O)ccc1Br ZINC000288620952 566082728 /nfs/dbraw/zinc/08/27/28/566082728.db2.gz RREDFZPQRMBTDK-UHFFFAOYSA-N 2 2 394.313 3.170 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000180732088 566083822 /nfs/dbraw/zinc/08/38/22/566083822.db2.gz FYUDONJBROKHMI-GUYCJALGSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000180732088 566083827 /nfs/dbraw/zinc/08/38/27/566083827.db2.gz FYUDONJBROKHMI-GUYCJALGSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000180732088 566083834 /nfs/dbraw/zinc/08/38/34/566083834.db2.gz FYUDONJBROKHMI-GUYCJALGSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000180732088 566083837 /nfs/dbraw/zinc/08/38/37/566083837.db2.gz FYUDONJBROKHMI-GUYCJALGSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000181020921 566107247 /nfs/dbraw/zinc/10/72/47/566107247.db2.gz BXYZVCNNTQCDFT-CYBMUJFWSA-N 2 2 376.302 3.143 20 0 GGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181064081 566109588 /nfs/dbraw/zinc/10/95/88/566109588.db2.gz WAWSTHZNUHJPMW-SFHVURJKSA-N 2 2 399.292 3.293 20 0 GGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000181064081 566109594 /nfs/dbraw/zinc/10/95/94/566109594.db2.gz WAWSTHZNUHJPMW-SFHVURJKSA-N 2 2 399.292 3.293 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181077036 566112071 /nfs/dbraw/zinc/11/20/71/566112071.db2.gz HKGJHQMVRFZEHP-OAHLLOKOSA-N 2 2 393.329 3.015 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181077036 566112078 /nfs/dbraw/zinc/11/20/78/566112078.db2.gz HKGJHQMVRFZEHP-OAHLLOKOSA-N 2 2 393.329 3.015 20 0 GGADLP C[C@H]1CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000252745446 566117284 /nfs/dbraw/zinc/11/72/84/566117284.db2.gz OPJIHVNTJLNPMB-SWLSCSKDSA-N 2 2 378.270 3.457 20 0 GGADLP C[C@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000252745446 566117288 /nfs/dbraw/zinc/11/72/88/566117288.db2.gz OPJIHVNTJLNPMB-SWLSCSKDSA-N 2 2 378.270 3.457 20 0 GGADLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000261610397 566125142 /nfs/dbraw/zinc/12/51/42/566125142.db2.gz BTRFBYKFRVHBKG-ZWKOTPCHSA-N 2 2 388.309 3.204 20 0 GGADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1c1ccccc1 ZINC000261610397 566125147 /nfs/dbraw/zinc/12/51/47/566125147.db2.gz BTRFBYKFRVHBKG-ZWKOTPCHSA-N 2 2 388.309 3.204 20 0 GGADLP Cc1cc(Br)cn2c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cnc12 ZINC000289572534 566130453 /nfs/dbraw/zinc/13/04/53/566130453.db2.gz JOHDEKMBWBSWGW-XYPWUTKMSA-N 2 2 377.330 3.462 20 0 GGADLP Cc1cc(Br)cn2c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cnc12 ZINC000289572534 566130459 /nfs/dbraw/zinc/13/04/59/566130459.db2.gz JOHDEKMBWBSWGW-XYPWUTKMSA-N 2 2 377.330 3.462 20 0 GGADLP Cc1cc(Br)cn2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc12 ZINC000289572534 566130461 /nfs/dbraw/zinc/13/04/61/566130461.db2.gz JOHDEKMBWBSWGW-XYPWUTKMSA-N 2 2 377.330 3.462 20 0 GGADLP Cc1cc(Br)cn2c(C[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc12 ZINC000289572534 566130466 /nfs/dbraw/zinc/13/04/66/566130466.db2.gz JOHDEKMBWBSWGW-XYPWUTKMSA-N 2 2 377.330 3.462 20 0 GGADLP O=C(NC[C@H]1CCC[N@@H+](Cc2csc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261829574 566136301 /nfs/dbraw/zinc/13/63/01/566136301.db2.gz IYLVDNMHEKQHIP-DGCLKSJQSA-N 2 2 376.353 3.135 20 0 GGADLP O=C(NC[C@H]1CCC[N@H+](Cc2csc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261829574 566136308 /nfs/dbraw/zinc/13/63/08/566136308.db2.gz IYLVDNMHEKQHIP-DGCLKSJQSA-N 2 2 376.353 3.135 20 0 GGADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2([NH+](C)C)CC2)CC1 ZINC000417358433 566147911 /nfs/dbraw/zinc/14/79/11/566147911.db2.gz TXBOMHKYNQXOFX-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181589451 566150675 /nfs/dbraw/zinc/15/06/75/566150675.db2.gz MCCVKSHKMXFCSO-GJZGRUSLSA-N 2 2 392.345 3.244 20 0 GGADLP Brc1ccccc1-n1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)nn1 ZINC000290042687 566153806 /nfs/dbraw/zinc/15/38/06/566153806.db2.gz WNCBRJUZXPEPDT-UHFFFAOYSA-N 2 2 390.329 3.136 20 0 GGADLP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ncc(Br)s1 ZINC000290334284 566167125 /nfs/dbraw/zinc/16/71/25/566167125.db2.gz PADIOCXUYOKGPS-GFCCVEGCSA-N 2 2 399.358 3.482 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnc([C@H](C)O)s3)[nH+]c12 ZINC000290382477 566169242 /nfs/dbraw/zinc/16/92/42/566169242.db2.gz NZUIKRSGTRFQGC-NSHDSACASA-N 2 2 395.326 3.247 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290372265 566169267 /nfs/dbraw/zinc/16/92/67/566169267.db2.gz HNWWEUYQINWDQH-MRXNPFEDSA-N 2 2 384.973 3.297 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290372265 566169271 /nfs/dbraw/zinc/16/92/71/566169271.db2.gz HNWWEUYQINWDQH-MRXNPFEDSA-N 2 2 384.973 3.297 20 0 GGADLP COc1cc(Br)ccc1CCC[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000181913688 566173143 /nfs/dbraw/zinc/17/31/43/566173143.db2.gz MFTIZKONBYCQOF-MRXNPFEDSA-N 2 2 397.357 3.044 20 0 GGADLP COc1cc(Br)ccc1CCC[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000181913688 566173151 /nfs/dbraw/zinc/17/31/51/566173151.db2.gz MFTIZKONBYCQOF-MRXNPFEDSA-N 2 2 397.357 3.044 20 0 GGADLP CCn1c[nH+]cc1C[NH2+][C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000417986240 566186125 /nfs/dbraw/zinc/18/61/25/566186125.db2.gz DZZXMQCKEPJHOT-QGZVFWFLSA-N 2 2 391.313 3.259 20 0 GGADLP O[C@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccc(Br)c1 ZINC000367247428 566193550 /nfs/dbraw/zinc/19/35/50/566193550.db2.gz VJFGZTVCQAJKBK-LJQANCHMSA-N 2 2 390.325 3.132 20 0 GGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290922291 566195815 /nfs/dbraw/zinc/19/58/15/566195815.db2.gz QSTHRNGBEAEFDO-IRXDYDNUSA-N 2 2 380.319 3.361 20 0 GGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290922291 566195817 /nfs/dbraw/zinc/19/58/17/566195817.db2.gz QSTHRNGBEAEFDO-IRXDYDNUSA-N 2 2 380.319 3.361 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000418074677 566196001 /nfs/dbraw/zinc/19/60/01/566196001.db2.gz YBABMBOPVXBPDB-LBPRGKRZSA-N 2 2 385.224 3.153 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000418074677 566196006 /nfs/dbraw/zinc/19/60/06/566196006.db2.gz YBABMBOPVXBPDB-LBPRGKRZSA-N 2 2 385.224 3.153 20 0 GGADLP C[NH+]1CCC2(CCC[N@H+](Cc3ncc(I)s3)C2)CC1 ZINC000367355367 566198198 /nfs/dbraw/zinc/19/81/98/566198198.db2.gz BSDCMBQXFRAZHF-UHFFFAOYSA-N 2 2 391.322 3.056 20 0 GGADLP C[NH+]1CCC2(CCC[N@@H+](Cc3ncc(I)s3)C2)CC1 ZINC000367355367 566198200 /nfs/dbraw/zinc/19/82/00/566198200.db2.gz BSDCMBQXFRAZHF-UHFFFAOYSA-N 2 2 391.322 3.056 20 0 GGADLP Brc1cncc(Br)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000290961520 566198681 /nfs/dbraw/zinc/19/86/81/566198681.db2.gz WKNDCBCGVHFRLY-JTQLQIEISA-N 2 2 389.135 3.181 20 0 GGADLP Brc1cncc(Br)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000290961520 566198686 /nfs/dbraw/zinc/19/86/86/566198686.db2.gz WKNDCBCGVHFRLY-JTQLQIEISA-N 2 2 389.135 3.181 20 0 GGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Br)c1 ZINC000368015207 566226807 /nfs/dbraw/zinc/22/68/07/566226807.db2.gz CBOYUADIVHLRMS-BMGDILEWSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(Br)c1 ZINC000368015207 566226812 /nfs/dbraw/zinc/22/68/12/566226812.db2.gz CBOYUADIVHLRMS-BMGDILEWSA-N 2 2 383.330 3.141 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368020705 566227575 /nfs/dbraw/zinc/22/75/75/566227575.db2.gz WVLDTBKNIZFBKW-BBRMVZONSA-N 2 2 379.551 3.423 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368020705 566227579 /nfs/dbraw/zinc/22/75/79/566227579.db2.gz WVLDTBKNIZFBKW-BBRMVZONSA-N 2 2 379.551 3.423 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000368131971 566231448 /nfs/dbraw/zinc/23/14/48/566231448.db2.gz CSTNPKRTMIZZTG-OAHLLOKOSA-N 2 2 386.297 3.358 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000368131971 566231450 /nfs/dbraw/zinc/23/14/50/566231450.db2.gz CSTNPKRTMIZZTG-OAHLLOKOSA-N 2 2 386.297 3.358 20 0 GGADLP Brc1cncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182966697 566232895 /nfs/dbraw/zinc/23/28/95/566232895.db2.gz LRPWTQHRPWDIJB-UHFFFAOYSA-N 2 2 382.346 3.169 20 0 GGADLP CN1CC[NH+](CC2CC[NH+](Cc3ccc(Br)cc3F)CC2)CC1 ZINC000265412915 566236429 /nfs/dbraw/zinc/23/64/29/566236429.db2.gz FRJGTJZMKGAGIZ-UHFFFAOYSA-N 2 2 384.337 3.048 20 0 GGADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cccc(Br)c1 ZINC000265495314 566237735 /nfs/dbraw/zinc/23/77/35/566237735.db2.gz LLRLOBBPAFVALK-UHFFFAOYSA-N 2 2 377.286 3.311 20 0 GGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2c[nH]c3ccc(Br)cc23)n1C ZINC000419677756 566241299 /nfs/dbraw/zinc/24/12/99/566241299.db2.gz CVKAYQPPEFJBOC-UHFFFAOYSA-N 2 2 376.302 3.062 20 0 GGADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000575156237 566254907 /nfs/dbraw/zinc/25/49/07/566254907.db2.gz LRDZJKPDUFQRGM-HNAYVOBHSA-N 2 2 383.989 3.104 20 0 GGADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000575156238 566255017 /nfs/dbraw/zinc/25/50/17/566255017.db2.gz LRDZJKPDUFQRGM-KXBFYZLASA-N 2 2 383.989 3.104 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+](CC/C=C/c2ccc(Br)cc2)CC1 ZINC000534846092 566257939 /nfs/dbraw/zinc/25/79/39/566257939.db2.gz NTNFALQQKIOOKB-DUXPYHPUSA-N 2 2 375.314 3.408 20 0 GGADLP Cc1c([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000481972110 566272105 /nfs/dbraw/zinc/27/21/05/566272105.db2.gz JFOCXYDITSNALU-CHWSQXEVSA-N 2 2 380.334 3.329 20 0 GGADLP [NH3+]C[C@@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000420365871 566273027 /nfs/dbraw/zinc/27/30/27/566273027.db2.gz SWVJTSUPWOOUAC-OAHLLOKOSA-N 2 2 379.353 3.264 20 0 GGADLP C[C@@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Br)cc1 ZINC000420358504 566273628 /nfs/dbraw/zinc/27/36/28/566273628.db2.gz JGQPFIFVSWHMCN-DYVFJYSZSA-N 2 2 382.346 3.124 20 0 GGADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420361039 566273655 /nfs/dbraw/zinc/27/36/55/566273655.db2.gz XSLMOMAAWRSDTL-CYBMUJFWSA-N 2 2 390.329 3.084 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420338325 566274019 /nfs/dbraw/zinc/27/40/19/566274019.db2.gz KQTFJTKGUVZNET-CZUORRHYSA-N 2 2 380.330 3.240 20 0 GGADLP Clc1ccc(SCC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000420361073 566274395 /nfs/dbraw/zinc/27/43/95/566274395.db2.gz XWDLXLBLAGCIEC-UHFFFAOYSA-N 2 2 377.945 3.006 20 0 GGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000482025971 566277358 /nfs/dbraw/zinc/27/73/58/566277358.db2.gz LSWYXPDGORHSJF-ZWKOTPCHSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000482025971 566277361 /nfs/dbraw/zinc/27/73/61/566277361.db2.gz LSWYXPDGORHSJF-ZWKOTPCHSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000482032298 566277432 /nfs/dbraw/zinc/27/74/32/566277432.db2.gz ONAKBDIXQRQLFM-ROUUACIJSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000482032298 566277435 /nfs/dbraw/zinc/27/74/35/566277435.db2.gz ONAKBDIXQRQLFM-ROUUACIJSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482032785 566277848 /nfs/dbraw/zinc/27/78/48/566277848.db2.gz MPIBZEUDRRLMTK-ZWKOTPCHSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482032785 566277852 /nfs/dbraw/zinc/27/78/52/566277852.db2.gz MPIBZEUDRRLMTK-ZWKOTPCHSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482032783 566278079 /nfs/dbraw/zinc/27/80/79/566278079.db2.gz MPIBZEUDRRLMTK-QZTJIDSGSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482032783 566278083 /nfs/dbraw/zinc/27/80/83/566278083.db2.gz MPIBZEUDRRLMTK-QZTJIDSGSA-N 2 2 396.373 3.433 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208180 566288146 /nfs/dbraw/zinc/28/81/46/566288146.db2.gz NBZMHYQVRHIYRW-RDTXWAMCSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208180 566288154 /nfs/dbraw/zinc/28/81/54/566288154.db2.gz NBZMHYQVRHIYRW-RDTXWAMCSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208180 566288160 /nfs/dbraw/zinc/28/81/60/566288160.db2.gz NBZMHYQVRHIYRW-RDTXWAMCSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208180 566288172 /nfs/dbraw/zinc/28/81/72/566288172.db2.gz NBZMHYQVRHIYRW-RDTXWAMCSA-N 2 2 394.357 3.366 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462384648 566293052 /nfs/dbraw/zinc/29/30/52/566293052.db2.gz PKVOGJQINGPGAD-BDJLRTHQSA-N 2 2 375.822 3.371 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462384648 566293061 /nfs/dbraw/zinc/29/30/61/566293061.db2.gz PKVOGJQINGPGAD-BDJLRTHQSA-N 2 2 375.822 3.371 20 0 GGADLP C[N@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCSC1 ZINC000535318993 566296709 /nfs/dbraw/zinc/29/67/09/566296709.db2.gz SSGZZGYMNASIQW-ROUUACIJSA-N 2 2 381.973 3.030 20 0 GGADLP C[N@@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCSC1 ZINC000535318993 566296717 /nfs/dbraw/zinc/29/67/17/566296717.db2.gz SSGZZGYMNASIQW-ROUUACIJSA-N 2 2 381.973 3.030 20 0 GGADLP CN(Cc1cccc(F)c1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648585989 566296756 /nfs/dbraw/zinc/29/67/56/566296756.db2.gz HQYNSPJVFJYQHF-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1cccc(F)c1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648585989 566296759 /nfs/dbraw/zinc/29/67/59/566296759.db2.gz HQYNSPJVFJYQHF-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@@H+]1CCCC12CC[NH+]([C@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000625288569 566304013 /nfs/dbraw/zinc/30/40/13/566304013.db2.gz OZMTWJXXAJSNOL-KRWDZBQOSA-N 2 2 392.341 3.263 20 0 GGADLP C[N@H+]1CCCC12CC[NH+]([C@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000625288569 566304020 /nfs/dbraw/zinc/30/40/20/566304020.db2.gz OZMTWJXXAJSNOL-KRWDZBQOSA-N 2 2 392.341 3.263 20 0 GGADLP Ic1ccc(OCC[NH2+]Cc2cccc3[nH+]ccn32)cc1 ZINC000509436495 566304788 /nfs/dbraw/zinc/30/47/88/566304788.db2.gz CLZDUFVJNGEBBV-UHFFFAOYSA-N 2 2 393.228 3.108 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000535575212 566313622 /nfs/dbraw/zinc/31/36/22/566313622.db2.gz NYUHUAIVVIAALW-UHFFFAOYSA-N 2 2 378.929 3.331 20 0 GGADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625370182 566314587 /nfs/dbraw/zinc/31/45/87/566314587.db2.gz AGNAUQSPCOWSPQ-DOTOQJQBSA-N 2 2 380.330 3.119 20 0 GGADLP C[NH+](C)[C@H]1CCC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625370182 566314589 /nfs/dbraw/zinc/31/45/89/566314589.db2.gz AGNAUQSPCOWSPQ-DOTOQJQBSA-N 2 2 380.330 3.119 20 0 GGADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000669651342 566317505 /nfs/dbraw/zinc/31/75/05/566317505.db2.gz BGXDCQNWBJFMAC-GDBMZVCRSA-N 2 2 394.288 3.172 20 0 GGADLP O[C@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000669651345 566317534 /nfs/dbraw/zinc/31/75/34/566317534.db2.gz BGXDCQNWBJFMAC-ZBFHGGJFSA-N 2 2 394.288 3.172 20 0 GGADLP Cc1[nH+]cc(C[NH2+][C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)n1C ZINC000576122474 566317673 /nfs/dbraw/zinc/31/76/73/566317673.db2.gz CSHSWLWWLORCJY-KRWDZBQOSA-N 2 2 391.313 3.085 20 0 GGADLP CC1(C)CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@@H+]1CCO ZINC000669657506 566319456 /nfs/dbraw/zinc/31/94/56/566319456.db2.gz RUJWHULWEHQYGS-UHFFFAOYSA-N 2 2 382.277 3.029 20 0 GGADLP CC1(C)CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@H+]1CCO ZINC000669657506 566319465 /nfs/dbraw/zinc/31/94/65/566319465.db2.gz RUJWHULWEHQYGS-UHFFFAOYSA-N 2 2 382.277 3.029 20 0 GGADLP O[C@@]1(C[NH2+]Cc2sccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000462540376 566320579 /nfs/dbraw/zinc/32/05/79/566320579.db2.gz SFZSLJXNERMSDQ-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@@]1(C[NH2+]Cc2sccc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000462540376 566320584 /nfs/dbraw/zinc/32/05/84/566320584.db2.gz SFZSLJXNERMSDQ-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@]1(C[NH2+]Cc2sccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000462540375 566320618 /nfs/dbraw/zinc/32/06/18/566320618.db2.gz SFZSLJXNERMSDQ-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@]1(C[NH2+]Cc2sccc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000462540375 566320624 /nfs/dbraw/zinc/32/06/24/566320624.db2.gz SFZSLJXNERMSDQ-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cs2)cs1 ZINC000482616393 566321211 /nfs/dbraw/zinc/32/12/11/566321211.db2.gz AHBKUPGCPBOFNO-WBMJQRKESA-N 2 2 378.567 3.170 20 0 GGADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cs2)cs1 ZINC000482616393 566321221 /nfs/dbraw/zinc/32/12/21/566321221.db2.gz AHBKUPGCPBOFNO-WBMJQRKESA-N 2 2 378.567 3.170 20 0 GGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000576172271 566321496 /nfs/dbraw/zinc/32/14/96/566321496.db2.gz GNHFCZHTCZUQPV-MRXNPFEDSA-N 2 2 383.330 3.144 20 0 GGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000576172271 566321501 /nfs/dbraw/zinc/32/15/01/566321501.db2.gz GNHFCZHTCZUQPV-MRXNPFEDSA-N 2 2 383.330 3.144 20 0 GGADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)cs2)cs1 ZINC000482616390 566321632 /nfs/dbraw/zinc/32/16/32/566321632.db2.gz AHBKUPGCPBOFNO-BLLLJJGKSA-N 2 2 378.567 3.170 20 0 GGADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)cs2)cs1 ZINC000482616390 566321635 /nfs/dbraw/zinc/32/16/35/566321635.db2.gz AHBKUPGCPBOFNO-BLLLJJGKSA-N 2 2 378.567 3.170 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3sc(Br)cc3C2)CC1 ZINC000669691462 566322353 /nfs/dbraw/zinc/32/23/53/566322353.db2.gz HXPAMSDIMWTVKH-UHFFFAOYSA-N 2 2 386.403 3.285 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3sc(Br)cc3C2)CC1 ZINC000669691462 566322360 /nfs/dbraw/zinc/32/23/60/566322360.db2.gz HXPAMSDIMWTVKH-UHFFFAOYSA-N 2 2 386.403 3.285 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000482740590 566329591 /nfs/dbraw/zinc/32/95/91/566329591.db2.gz CSXWBNVDBLWSAH-CRAIPNDOSA-N 2 2 397.357 3.345 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000576280006 566331573 /nfs/dbraw/zinc/33/15/73/566331573.db2.gz NUYRVMDAPXFLAH-ZFWWWQNUSA-N 2 2 380.330 3.098 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000421015028 566336182 /nfs/dbraw/zinc/33/61/82/566336182.db2.gz SUDRWBSICGQDTN-UHFFFAOYSA-N 2 2 380.374 3.441 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000421015028 566336188 /nfs/dbraw/zinc/33/61/88/566336188.db2.gz SUDRWBSICGQDTN-UHFFFAOYSA-N 2 2 380.374 3.441 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000421015028 566336193 /nfs/dbraw/zinc/33/61/93/566336193.db2.gz SUDRWBSICGQDTN-UHFFFAOYSA-N 2 2 380.374 3.441 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000421015028 566336200 /nfs/dbraw/zinc/33/62/00/566336200.db2.gz SUDRWBSICGQDTN-UHFFFAOYSA-N 2 2 380.374 3.441 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482884133 566341649 /nfs/dbraw/zinc/34/16/49/566341649.db2.gz JPLQTEQEYFLJAY-AEFFLSMTSA-N 2 2 397.357 3.345 20 0 GGADLP C[C@H](C[NH2+]Cc1c(Br)cncc1Br)Cn1cc[nH+]c1 ZINC000576455326 566346814 /nfs/dbraw/zinc/34/68/14/566346814.db2.gz UTRCQJJGBJZOOH-SNVBAGLBSA-N 2 2 388.107 3.229 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(Br)c2)CC1 ZINC000462785690 566352472 /nfs/dbraw/zinc/35/24/72/566352472.db2.gz QZZXMMNULGGXOS-OAHLLOKOSA-N 2 2 397.357 3.387 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(Br)c2)CC1 ZINC000462785689 566352878 /nfs/dbraw/zinc/35/28/78/566352878.db2.gz QZZXMMNULGGXOS-HNNXBMFYSA-N 2 2 397.357 3.387 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Br)cc2c1OCC2 ZINC000462790207 566353431 /nfs/dbraw/zinc/35/34/31/566353431.db2.gz HBVHRZOQPQLLPB-FGTMMUONSA-N 2 2 395.341 3.068 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Br)cc2c1OCC2 ZINC000462790207 566353435 /nfs/dbraw/zinc/35/34/35/566353435.db2.gz HBVHRZOQPQLLPB-FGTMMUONSA-N 2 2 395.341 3.068 20 0 GGADLP CC(C)(CO)[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000649277906 566359344 /nfs/dbraw/zinc/35/93/44/566359344.db2.gz GOUHCXZBGRRVKZ-UHFFFAOYSA-N 2 2 382.277 3.029 20 0 GGADLP Fc1cc2[nH+]ccc(N3CC[NH+]([C@H]4CCOC4)CC3)c2cc1Br ZINC000649304808 566360456 /nfs/dbraw/zinc/36/04/56/566360456.db2.gz XJBVUPVCNCCFGP-LBPRGKRZSA-N 2 2 380.261 3.047 20 0 GGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c2ccccc21 ZINC000576626571 566364131 /nfs/dbraw/zinc/36/41/31/566364131.db2.gz MKPHNWXQXHNVEI-SQNIBIBYSA-N 2 2 386.293 3.289 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000510212200 566369307 /nfs/dbraw/zinc/36/93/07/566369307.db2.gz OUKROXCQEBCLQF-UHFFFAOYSA-N 2 2 397.342 3.004 20 0 GGADLP COC1([C@H](C)[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)CCOCC1 ZINC000421402784 566370052 /nfs/dbraw/zinc/37/00/52/566370052.db2.gz MWXCDJXDELXXEZ-ZDUSSCGKSA-N 2 2 382.302 3.079 20 0 GGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)C1 ZINC000462942058 566370459 /nfs/dbraw/zinc/37/04/59/566370459.db2.gz SLBDKFGXPKXGQS-GRDNDAEWSA-N 2 2 385.346 3.201 20 0 GGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)C1 ZINC000462942058 566370471 /nfs/dbraw/zinc/37/04/71/566370471.db2.gz SLBDKFGXPKXGQS-GRDNDAEWSA-N 2 2 385.346 3.201 20 0 GGADLP Cc1cc(C)c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(C)c1Br ZINC000625994028 566374750 /nfs/dbraw/zinc/37/47/50/566374750.db2.gz VHXSVQUCFLESCU-UHFFFAOYSA-N 2 2 396.373 3.130 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)cc3Br)CC2)c1 ZINC000576741607 566374834 /nfs/dbraw/zinc/37/48/34/566374834.db2.gz IXPBKRRMANFMFW-UHFFFAOYSA-N 2 2 392.297 3.184 20 0 GGADLP Cc1cncc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000649609318 566378185 /nfs/dbraw/zinc/37/81/85/566378185.db2.gz GPRYNPGEMAZKIO-UHFFFAOYSA-N 2 2 390.285 3.082 20 0 GGADLP Cc1cncc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000649609318 566378201 /nfs/dbraw/zinc/37/82/01/566378201.db2.gz GPRYNPGEMAZKIO-UHFFFAOYSA-N 2 2 390.285 3.082 20 0 GGADLP Cc1cccn2c(C[NH2+][C@@H]3CCN(c4cccc(Br)c4)C3=O)c[nH+]c12 ZINC000447070350 566383585 /nfs/dbraw/zinc/38/35/85/566383585.db2.gz ZDDFQVHBFUBVTQ-QGZVFWFLSA-N 2 2 399.292 3.300 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2ccc(Br)cc2o1 ZINC000463115247 566385694 /nfs/dbraw/zinc/38/56/94/566385694.db2.gz JKRBMFGHASIVER-UHFFFAOYSA-N 2 2 395.345 3.048 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2ccc(Br)cc2o1 ZINC000463115247 566385703 /nfs/dbraw/zinc/38/57/03/566385703.db2.gz JKRBMFGHASIVER-UHFFFAOYSA-N 2 2 395.345 3.048 20 0 GGADLP CN(CC[N@H+](C)Cc1nc2ccc(Br)cc2o1)C1CC[NH+](C)CC1 ZINC000463115247 566385713 /nfs/dbraw/zinc/38/57/13/566385713.db2.gz JKRBMFGHASIVER-UHFFFAOYSA-N 2 2 395.345 3.048 20 0 GGADLP CN(CC[N@@H+](C)Cc1nc2ccc(Br)cc2o1)C1CC[NH+](C)CC1 ZINC000463115247 566385720 /nfs/dbraw/zinc/38/57/20/566385720.db2.gz JKRBMFGHASIVER-UHFFFAOYSA-N 2 2 395.345 3.048 20 0 GGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000557426141 566386450 /nfs/dbraw/zinc/38/64/50/566386450.db2.gz FUQLKZXWECAVSM-OLZOCXBDSA-N 2 2 394.288 3.436 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000536692171 566394194 /nfs/dbraw/zinc/39/41/94/566394194.db2.gz AUUWRLUCCIGKBR-QGZVFWFLSA-N 2 2 395.345 3.030 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000536692171 566394200 /nfs/dbraw/zinc/39/42/00/566394200.db2.gz AUUWRLUCCIGKBR-QGZVFWFLSA-N 2 2 395.345 3.030 20 0 GGADLP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ncc(Br)s1 ZINC000577098209 566404304 /nfs/dbraw/zinc/40/43/04/566404304.db2.gz WLWISZSKESQMAR-NSHDSACASA-N 2 2 385.331 3.092 20 0 GGADLP CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477604 566407768 /nfs/dbraw/zinc/40/77/68/566407768.db2.gz KBGOZJVWZKTXMT-KRWDZBQOSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477604 566407774 /nfs/dbraw/zinc/40/77/74/566407774.db2.gz KBGOZJVWZKTXMT-KRWDZBQOSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)CSc1ccc(Cl)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472263 566408276 /nfs/dbraw/zinc/40/82/76/566408276.db2.gz GELCWUBPPIAXGB-QGZVFWFLSA-N 2 2 381.973 3.059 20 0 GGADLP CN(C(=O)CSc1ccc(Cl)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472263 566408281 /nfs/dbraw/zinc/40/82/81/566408281.db2.gz GELCWUBPPIAXGB-QGZVFWFLSA-N 2 2 381.973 3.059 20 0 GGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000447530610 566414773 /nfs/dbraw/zinc/41/47/73/566414773.db2.gz OPVUZOUKRINDJG-WFASDCNBSA-N 2 2 395.263 3.431 20 0 GGADLP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)sc1Br ZINC000577226289 566416777 /nfs/dbraw/zinc/41/67/77/566416777.db2.gz GKDRPEFMPAHZMC-ZBFHGGJFSA-N 2 2 386.403 3.277 20 0 GGADLP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)sc1Br ZINC000577226289 566416783 /nfs/dbraw/zinc/41/67/83/566416783.db2.gz GKDRPEFMPAHZMC-ZBFHGGJFSA-N 2 2 386.403 3.277 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510905924 566418959 /nfs/dbraw/zinc/41/89/59/566418959.db2.gz JGWRFFXCDAQUJK-UHFFFAOYSA-N 3 2 392.301 3.336 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510905924 566418972 /nfs/dbraw/zinc/41/89/72/566418972.db2.gz JGWRFFXCDAQUJK-UHFFFAOYSA-N 3 2 392.301 3.336 20 0 GGADLP Clc1cnc(NCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000484176683 566419110 /nfs/dbraw/zinc/41/91/10/566419110.db2.gz VETYBSMOECCFEE-UHFFFAOYSA-N 2 2 380.323 3.450 20 0 GGADLP COC(=O)CC1(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000510932093 566420581 /nfs/dbraw/zinc/42/05/81/566420581.db2.gz ADNPOTHYHPINSQ-UHFFFAOYSA-N 2 2 396.285 3.084 20 0 GGADLP COC(=O)CC1(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)CC1 ZINC000510932093 566420585 /nfs/dbraw/zinc/42/05/85/566420585.db2.gz ADNPOTHYHPINSQ-UHFFFAOYSA-N 2 2 396.285 3.084 20 0 GGADLP Cc1cc(C)n(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000510939344 566420962 /nfs/dbraw/zinc/42/09/62/566420962.db2.gz ZDXCOGOHQQAROD-UHFFFAOYSA-N 2 2 392.301 3.254 20 0 GGADLP Cc1cc(C)n(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000510939344 566420967 /nfs/dbraw/zinc/42/09/67/566420967.db2.gz ZDXCOGOHQQAROD-UHFFFAOYSA-N 2 2 392.301 3.254 20 0 GGADLP Brc1ccc(C[N@H+](CCO[C@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510938987 566421117 /nfs/dbraw/zinc/42/11/17/566421117.db2.gz XKIXUUBTOWMILI-KRWDZBQOSA-N 2 2 398.301 3.284 20 0 GGADLP Brc1ccc(C[N@@H+](CCO[C@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510938987 566421122 /nfs/dbraw/zinc/42/11/22/566421122.db2.gz XKIXUUBTOWMILI-KRWDZBQOSA-N 2 2 398.301 3.284 20 0 GGADLP CC(C)OC(=O)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510951893 566422477 /nfs/dbraw/zinc/42/24/77/566422477.db2.gz MNDQCBORABLYBZ-UHFFFAOYSA-N 2 2 384.274 3.083 20 0 GGADLP CC(C)OC(=O)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510951893 566422479 /nfs/dbraw/zinc/42/24/79/566422479.db2.gz MNDQCBORABLYBZ-UHFFFAOYSA-N 2 2 384.274 3.083 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3cc(Cl)cs3)CC2)CC1 ZINC000422025941 566427107 /nfs/dbraw/zinc/42/71/07/566427107.db2.gz SZTRGHBQZFSOTN-UHFFFAOYSA-N 2 2 383.989 3.353 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3cc(Cl)cs3)CC2)CC1 ZINC000422025941 566427116 /nfs/dbraw/zinc/42/71/16/566427116.db2.gz SZTRGHBQZFSOTN-UHFFFAOYSA-N 2 2 383.989 3.353 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000577603161 566448622 /nfs/dbraw/zinc/44/86/22/566448622.db2.gz GIBZJRWEMZWSGY-STQMWFEESA-N 2 2 381.307 3.394 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000577603161 566448628 /nfs/dbraw/zinc/44/86/28/566448628.db2.gz GIBZJRWEMZWSGY-STQMWFEESA-N 2 2 381.307 3.394 20 0 GGADLP Cc1nn(C)c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)c1Br ZINC000447944174 566449041 /nfs/dbraw/zinc/44/90/41/566449041.db2.gz ZMVOGKVFZHRKCQ-UHFFFAOYSA-N 2 2 377.330 3.377 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C[C@@H]1C[NH3+] ZINC000422635308 566459980 /nfs/dbraw/zinc/45/99/80/566459980.db2.gz LHSVLQRANQIZCG-MXWKQRLJSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C[C@@H]1C[NH3+] ZINC000422635308 566459986 /nfs/dbraw/zinc/45/99/86/566459986.db2.gz LHSVLQRANQIZCG-MXWKQRLJSA-N 2 2 385.331 3.366 20 0 GGADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]C2CC[NH2+]CC2)c2ccc(Cl)cc2)c1 ZINC000422797508 566463438 /nfs/dbraw/zinc/46/34/38/566463438.db2.gz MZERXRAZOLOORV-IBGZPJMESA-N 2 2 378.925 3.175 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000537696703 566464269 /nfs/dbraw/zinc/46/42/69/566464269.db2.gz JXWNHPBPSLIMOL-CJNGLKHVSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000537696703 566464276 /nfs/dbraw/zinc/46/42/76/566464276.db2.gz JXWNHPBPSLIMOL-CJNGLKHVSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000537696703 566464280 /nfs/dbraw/zinc/46/42/80/566464280.db2.gz JXWNHPBPSLIMOL-CJNGLKHVSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000537696703 566464284 /nfs/dbraw/zinc/46/42/84/566464284.db2.gz JXWNHPBPSLIMOL-CJNGLKHVSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@H]21 ZINC000537696707 566464451 /nfs/dbraw/zinc/46/44/51/566464451.db2.gz JXWNHPBPSLIMOL-XJKSGUPXSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@H]21 ZINC000537696707 566464454 /nfs/dbraw/zinc/46/44/54/566464454.db2.gz JXWNHPBPSLIMOL-XJKSGUPXSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@H]21 ZINC000537696707 566464459 /nfs/dbraw/zinc/46/44/59/566464459.db2.gz JXWNHPBPSLIMOL-XJKSGUPXSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@H]21 ZINC000537696707 566464466 /nfs/dbraw/zinc/46/44/66/566464466.db2.gz JXWNHPBPSLIMOL-XJKSGUPXSA-N 2 2 380.323 3.490 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000422930911 566465191 /nfs/dbraw/zinc/46/51/91/566465191.db2.gz ABEUVXZZWVUKQG-IRXDYDNUSA-N 2 2 379.551 3.013 20 0 GGADLP O=C(CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)Nc1cccc(Br)c1 ZINC000577841220 566469402 /nfs/dbraw/zinc/46/94/02/566469402.db2.gz BAFJNUSZOZXXQC-INIZCTEOSA-N 2 2 380.330 3.384 20 0 GGADLP O=C(CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)Nc1cccc(Br)c1 ZINC000577841220 566469409 /nfs/dbraw/zinc/46/94/09/566469409.db2.gz BAFJNUSZOZXXQC-INIZCTEOSA-N 2 2 380.330 3.384 20 0 GGADLP Cc1cc(Br)cn2cc(C[NH2+][C@H](Cc3ccccc3)[C@H](C)[NH3+])nc12 ZINC000423031841 566469396 /nfs/dbraw/zinc/46/93/96/566469396.db2.gz DUXLNUDFDYRZDM-KBXCAEBGSA-N 2 2 387.325 3.453 20 0 GGADLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000577884737 566472513 /nfs/dbraw/zinc/47/25/13/566472513.db2.gz WSLUIGLZHIRTLE-UHFFFAOYSA-N 2 2 388.339 3.147 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1=O ZINC000423100575 566475130 /nfs/dbraw/zinc/47/51/30/566475130.db2.gz BWJWVYMUUMLNEU-HYVNUMGLSA-N 2 2 394.357 3.291 20 0 GGADLP C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423092971 566475490 /nfs/dbraw/zinc/47/54/90/566475490.db2.gz FBRONCQQEKLYBS-IIMNLJJBSA-N 2 2 381.236 3.231 20 0 GGADLP Cc1cc[nH+]c(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1Br ZINC000672232379 566476741 /nfs/dbraw/zinc/47/67/41/566476741.db2.gz FBJNISJHNALBPS-UHFFFAOYSA-N 2 2 397.361 3.191 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCOC4(CCOCC4)C3)c[nH+]c12 ZINC000577981958 566480411 /nfs/dbraw/zinc/48/04/11/566480411.db2.gz CTFJKFVUYWECBI-HNNXBMFYSA-N 2 2 394.313 3.223 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)s1 ZINC000537937227 566480986 /nfs/dbraw/zinc/48/09/86/566480986.db2.gz BBELAAOBMVEYDA-UHFFFAOYSA-N 2 2 387.615 3.131 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCOC4(CCOCC4)C3)c[nH+]c12 ZINC000577981959 566481169 /nfs/dbraw/zinc/48/11/69/566481169.db2.gz CTFJKFVUYWECBI-OAHLLOKOSA-N 2 2 394.313 3.223 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423206356 566483042 /nfs/dbraw/zinc/48/30/42/566483042.db2.gz BVSOYIFPRWBYAA-YDHLFZDLSA-N 2 2 392.345 3.377 20 0 GGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423277142 566483956 /nfs/dbraw/zinc/48/39/56/566483956.db2.gz PJSKDHMCQDRIIO-RBUKOAKNSA-N 2 2 380.941 3.406 20 0 GGADLP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423258272 566484757 /nfs/dbraw/zinc/48/47/57/566484757.db2.gz BEWADXHLVILJBO-IAGOWNOFSA-N 2 2 387.977 3.196 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423330259 566485915 /nfs/dbraw/zinc/48/59/15/566485915.db2.gz NOGMPYWKSLYFSE-FZKQIMNGSA-N 2 2 392.345 3.379 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423330252 566485944 /nfs/dbraw/zinc/48/59/44/566485944.db2.gz NOGMPYWKSLYFSE-ACJLOTCBSA-N 2 2 392.345 3.379 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423374828 566486357 /nfs/dbraw/zinc/48/63/57/566486357.db2.gz TYOPXOZXRMXMEB-WHCBVINPSA-N 2 2 399.283 3.048 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423374822 566486714 /nfs/dbraw/zinc/48/67/14/566486714.db2.gz TYOPXOZXRMXMEB-HYSWKAIVSA-N 2 2 399.283 3.048 20 0 GGADLP CC[C@@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423396753 566488215 /nfs/dbraw/zinc/48/82/15/566488215.db2.gz UIJSLHLOJZJCNL-WBVHZDCISA-N 2 2 387.977 3.067 20 0 GGADLP COCCC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423437944 566488485 /nfs/dbraw/zinc/48/84/85/566488485.db2.gz UQWHJXFEJCCBLA-QZTJIDSGSA-N 2 2 385.346 3.275 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423487368 566490380 /nfs/dbraw/zinc/49/03/80/566490380.db2.gz CMJJUNDXHDXKFS-ZYHUDNBSSA-N 2 2 381.236 3.497 20 0 GGADLP Fc1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2cccc(Br)c2)c1 ZINC000423580191 566492279 /nfs/dbraw/zinc/49/22/79/566492279.db2.gz XILDFLIDHPUQHT-MSOLQXFVSA-N 2 2 379.273 3.256 20 0 GGADLP FC(F)(F)c1cc(Br)ccc1[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423577098 566492618 /nfs/dbraw/zinc/49/26/18/566492618.db2.gz RWFQRQOVSLMZKY-IUODEOHRSA-N 2 2 393.247 3.497 20 0 GGADLP FC(F)(F)c1cc(Br)ccc1[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423577099 566492662 /nfs/dbraw/zinc/49/26/62/566492662.db2.gz RWFQRQOVSLMZKY-SWLSCSKDSA-N 2 2 393.247 3.497 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000423527863 566493166 /nfs/dbraw/zinc/49/31/66/566493166.db2.gz WEJQUCNLJDXFEP-JQWIXIFHSA-N 2 2 380.252 3.022 20 0 GGADLP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cscn1 ZINC000423792337 566495297 /nfs/dbraw/zinc/49/52/97/566495297.db2.gz BOGRRXBXVMAISP-INIZCTEOSA-N 2 2 399.347 3.231 20 0 GGADLP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554976 566496281 /nfs/dbraw/zinc/49/62/81/566496281.db2.gz NVQPEXRQHPDZIL-CZUORRHYSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554976 566496284 /nfs/dbraw/zinc/49/62/84/566496284.db2.gz NVQPEXRQHPDZIL-CZUORRHYSA-N 2 2 383.275 3.281 20 0 GGADLP C[N@H+](CC[NH2+]CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 ZINC000558657321 566497544 /nfs/dbraw/zinc/49/75/44/566497544.db2.gz YDXHUKXMLYCZGB-UHFFFAOYSA-N 2 2 390.325 3.499 20 0 GGADLP C[N@@H+](CC[NH2+]CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1 ZINC000558657321 566497548 /nfs/dbraw/zinc/49/75/48/566497548.db2.gz YDXHUKXMLYCZGB-UHFFFAOYSA-N 2 2 390.325 3.499 20 0 GGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000558728805 566501741 /nfs/dbraw/zinc/50/17/41/566501741.db2.gz GZAQPYQGUUOURR-DNVCBOLYSA-N 2 2 390.325 3.132 20 0 GGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000558728805 566501748 /nfs/dbraw/zinc/50/17/48/566501748.db2.gz GZAQPYQGUUOURR-DNVCBOLYSA-N 2 2 390.325 3.132 20 0 GGADLP Cc1cc(Br)cn2cc(CNCc3ncc(C[NH+](C)C)s3)[nH+]c12 ZINC000511990498 566502716 /nfs/dbraw/zinc/50/27/16/566502716.db2.gz OORXFPZIHHBAIO-UHFFFAOYSA-N 2 2 394.342 3.213 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000512042339 566509420 /nfs/dbraw/zinc/50/94/20/566509420.db2.gz XSLSACZSQHHPAT-GFCCVEGCSA-N 2 2 393.338 3.205 20 0 GGADLP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000512042339 566509427 /nfs/dbraw/zinc/50/94/27/566509427.db2.gz XSLSACZSQHHPAT-GFCCVEGCSA-N 2 2 393.338 3.205 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)s1 ZINC000512069422 566510301 /nfs/dbraw/zinc/51/03/01/566510301.db2.gz XKZOTGIJQCATAF-UHFFFAOYSA-N 2 2 377.901 3.240 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512100264 566514004 /nfs/dbraw/zinc/51/40/04/566514004.db2.gz OZKLFQLRPKIVGH-VXGBXAGGSA-N 2 2 393.338 3.205 20 0 GGADLP Brc1cscc1C[NH2+]CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000512135071 566515256 /nfs/dbraw/zinc/51/52/56/566515256.db2.gz DUZRKFRIDKKHRZ-UHFFFAOYSA-N 3 2 395.370 3.208 20 0 GGADLP C[C@H]1C[N@H+](Cc2cccc(F)c2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000449035857 566523767 /nfs/dbraw/zinc/52/37/67/566523767.db2.gz IFWQYRDZBIXMEP-WMLDXEAASA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cccc(F)c2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000449035857 566523771 /nfs/dbraw/zinc/52/37/71/566523771.db2.gz IFWQYRDZBIXMEP-WMLDXEAASA-N 2 2 384.337 3.046 20 0 GGADLP Brc1cccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccnc12 ZINC000449030261 566523974 /nfs/dbraw/zinc/52/39/74/566523974.db2.gz RAVOUIURCIQEKA-OAHLLOKOSA-N 2 2 390.325 3.151 20 0 GGADLP Brc1cccc2c(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)ccnc12 ZINC000449030261 566523977 /nfs/dbraw/zinc/52/39/77/566523977.db2.gz RAVOUIURCIQEKA-OAHLLOKOSA-N 2 2 390.325 3.151 20 0 GGADLP C[C@@H]1CC2(C[N@@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424298978 566526992 /nfs/dbraw/zinc/52/69/92/566526992.db2.gz VDIGLLUREAFPLZ-CYBMUJFWSA-N 2 2 391.364 3.231 20 0 GGADLP C[C@@H]1CC2(C[N@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424298978 566526996 /nfs/dbraw/zinc/52/69/96/566526996.db2.gz VDIGLLUREAFPLZ-CYBMUJFWSA-N 2 2 391.364 3.231 20 0 GGADLP C[C@H]1CC2(C[N@@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424298979 566527041 /nfs/dbraw/zinc/52/70/41/566527041.db2.gz VDIGLLUREAFPLZ-ZDUSSCGKSA-N 2 2 391.364 3.231 20 0 GGADLP C[C@H]1CC2(C[N@H+]1CCS(=O)(=O)c1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424298979 566527045 /nfs/dbraw/zinc/52/70/45/566527045.db2.gz VDIGLLUREAFPLZ-ZDUSSCGKSA-N 2 2 391.364 3.231 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485798410 566527387 /nfs/dbraw/zinc/52/73/87/566527387.db2.gz NWROOJDKXUGGMS-BBRMVZONSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485798410 566527397 /nfs/dbraw/zinc/52/73/97/566527397.db2.gz NWROOJDKXUGGMS-BBRMVZONSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485798410 566527402 /nfs/dbraw/zinc/52/74/02/566527402.db2.gz NWROOJDKXUGGMS-BBRMVZONSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485798410 566527408 /nfs/dbraw/zinc/52/74/08/566527408.db2.gz NWROOJDKXUGGMS-BBRMVZONSA-N 2 2 377.330 3.252 20 0 GGADLP O[C@H](C[NH2+]Cc1cccc(Br)c1F)C[N@@H+]1CCc2ccccc2C1 ZINC000449072381 566527905 /nfs/dbraw/zinc/52/79/05/566527905.db2.gz FORDEVDDMBXJPZ-QGZVFWFLSA-N 2 2 393.300 3.097 20 0 GGADLP O[C@H](C[NH2+]Cc1cccc(Br)c1F)C[N@H+]1CCc2ccccc2C1 ZINC000449072381 566527911 /nfs/dbraw/zinc/52/79/11/566527911.db2.gz FORDEVDDMBXJPZ-QGZVFWFLSA-N 2 2 393.300 3.097 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000449162496 566534186 /nfs/dbraw/zinc/53/41/86/566534186.db2.gz SCGMRYZEOCLTNS-QFBILLFUSA-N 2 2 378.563 3.324 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000449162496 566534192 /nfs/dbraw/zinc/53/41/92/566534192.db2.gz SCGMRYZEOCLTNS-QFBILLFUSA-N 2 2 378.563 3.324 20 0 GGADLP CSCc1cnc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000559233246 566534501 /nfs/dbraw/zinc/53/45/01/566534501.db2.gz OAQMUTNSWZDDNX-OAHLLOKOSA-N 2 2 382.624 3.146 20 0 GGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449193218 566534791 /nfs/dbraw/zinc/53/47/91/566534791.db2.gz VVRWHPDIPHSGBV-SJORKVTESA-N 2 2 385.321 3.446 20 0 GGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449190978 566534921 /nfs/dbraw/zinc/53/49/21/566534921.db2.gz RTOCUUYRMWFRNY-SJORKVTESA-N 2 2 385.321 3.446 20 0 GGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449193216 566534959 /nfs/dbraw/zinc/53/49/59/566534959.db2.gz VVRWHPDIPHSGBV-IAGOWNOFSA-N 2 2 385.321 3.446 20 0 GGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449193217 566535618 /nfs/dbraw/zinc/53/56/18/566535618.db2.gz VVRWHPDIPHSGBV-IRXDYDNUSA-N 2 2 385.321 3.446 20 0 GGADLP Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ncc1Br ZINC000628185066 566537002 /nfs/dbraw/zinc/53/70/02/566537002.db2.gz KJYQWDAYAHMLLA-UHFFFAOYSA-N 2 2 382.346 3.229 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@@H]21 ZINC000538798664 566537362 /nfs/dbraw/zinc/53/73/62/566537362.db2.gz SJSLXAWBYUTPQF-DYVFJYSZSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@@H]21 ZINC000538798664 566537369 /nfs/dbraw/zinc/53/73/69/566537369.db2.gz SJSLXAWBYUTPQF-DYVFJYSZSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@@H]21 ZINC000538798664 566537375 /nfs/dbraw/zinc/53/73/75/566537375.db2.gz SJSLXAWBYUTPQF-DYVFJYSZSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@@H]21 ZINC000538798664 566537380 /nfs/dbraw/zinc/53/73/80/566537380.db2.gz SJSLXAWBYUTPQF-DYVFJYSZSA-N 2 2 380.323 3.490 20 0 GGADLP Cc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ncc1Br ZINC000628187854 566539304 /nfs/dbraw/zinc/53/93/04/566539304.db2.gz CLKUJHIPPZKQJU-UHFFFAOYSA-N 2 2 395.389 3.143 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312863 566540423 /nfs/dbraw/zinc/54/04/23/566540423.db2.gz VYVVKZPEGTWMSP-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312863 566540430 /nfs/dbraw/zinc/54/04/30/566540430.db2.gz VYVVKZPEGTWMSP-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559312863 566540434 /nfs/dbraw/zinc/54/04/34/566540434.db2.gz VYVVKZPEGTWMSP-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559312863 566540440 /nfs/dbraw/zinc/54/04/40/566540440.db2.gz VYVVKZPEGTWMSP-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000512685609 566551077 /nfs/dbraw/zinc/55/10/77/566551077.db2.gz CVEYCGBVBFBNON-IAGOWNOFSA-N 2 2 380.374 3.440 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2Br)CC1 ZINC000512686979 566551117 /nfs/dbraw/zinc/55/11/17/566551117.db2.gz KYPVROMPBAPCIH-CALCHBBNSA-N 2 2 380.374 3.440 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2Br)CC1 ZINC000512686979 566551120 /nfs/dbraw/zinc/55/11/20/566551120.db2.gz KYPVROMPBAPCIH-CALCHBBNSA-N 2 2 380.374 3.440 20 0 GGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2Br)CC1 ZINC000512687011 566551186 /nfs/dbraw/zinc/55/11/86/566551186.db2.gz KYPVROMPBAPCIH-IRXDYDNUSA-N 2 2 380.374 3.440 20 0 GGADLP O[C@H](C[NH2+]Cc1cc(F)cc(Br)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000449344756 566553040 /nfs/dbraw/zinc/55/30/40/566553040.db2.gz SBQHHYDZIXKYEW-LJQANCHMSA-N 2 2 393.300 3.097 20 0 GGADLP O[C@H](C[NH2+]Cc1cc(F)cc(Br)c1)C[N@H+]1CCc2ccccc2C1 ZINC000449344756 566553044 /nfs/dbraw/zinc/55/30/44/566553044.db2.gz SBQHHYDZIXKYEW-LJQANCHMSA-N 2 2 393.300 3.097 20 0 GGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449377070 566554507 /nfs/dbraw/zinc/55/45/07/566554507.db2.gz NOGBOPACXWYRRU-CRAIPNDOSA-N 2 2 390.325 3.036 20 0 GGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449377070 566554510 /nfs/dbraw/zinc/55/45/10/566554510.db2.gz NOGBOPACXWYRRU-CRAIPNDOSA-N 2 2 390.325 3.036 20 0 GGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449377071 566554994 /nfs/dbraw/zinc/55/49/94/566554994.db2.gz NOGBOPACXWYRRU-MAUKXSAKSA-N 2 2 390.325 3.036 20 0 GGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449377071 566554999 /nfs/dbraw/zinc/55/49/99/566554999.db2.gz NOGBOPACXWYRRU-MAUKXSAKSA-N 2 2 390.325 3.036 20 0 GGADLP CC[NH+](CC)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000466337020 566567967 /nfs/dbraw/zinc/56/79/67/566567967.db2.gz JIUIQFUXOGZPGY-KRWDZBQOSA-N 2 2 382.346 3.044 20 0 GGADLP Cc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)ccc1I ZINC000466365470 566568732 /nfs/dbraw/zinc/56/87/32/566568732.db2.gz VRSQBVKCDXOKMY-UHFFFAOYSA-N 2 2 381.261 3.350 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000539318713 566573680 /nfs/dbraw/zinc/57/36/80/566573680.db2.gz SAQCVGUFHNXTTA-HACGYAERSA-N 2 2 384.387 3.067 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000539318713 566573684 /nfs/dbraw/zinc/57/36/84/566573684.db2.gz SAQCVGUFHNXTTA-HACGYAERSA-N 2 2 384.387 3.067 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000539318716 566574517 /nfs/dbraw/zinc/57/45/17/566574517.db2.gz SAQCVGUFHNXTTA-SUYBPPKGSA-N 2 2 384.387 3.067 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000539318716 566574522 /nfs/dbraw/zinc/57/45/22/566574522.db2.gz SAQCVGUFHNXTTA-SUYBPPKGSA-N 2 2 384.387 3.067 20 0 GGADLP Cc1ccc(C[C@H](CO)C[NH2+]Cc2cccc3[nH+]ccn32)cc1Br ZINC000449601818 566581900 /nfs/dbraw/zinc/58/19/00/566581900.db2.gz SIYWETUMMGJKJV-INIZCTEOSA-N 2 2 388.309 3.346 20 0 GGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000579253313 566593957 /nfs/dbraw/zinc/59/39/57/566593957.db2.gz PEEIECQCGUHOLU-KXBFYZLASA-N 2 2 390.325 3.132 20 0 GGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000579253313 566593963 /nfs/dbraw/zinc/59/39/63/566593963.db2.gz PEEIECQCGUHOLU-KXBFYZLASA-N 2 2 390.325 3.132 20 0 GGADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000513488090 566604637 /nfs/dbraw/zinc/60/46/37/566604637.db2.gz OXLXKYVYZOKEGA-FQEVSTJZSA-N 2 2 389.337 3.484 20 0 GGADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000513488090 566604644 /nfs/dbraw/zinc/60/46/44/566604644.db2.gz OXLXKYVYZOKEGA-FQEVSTJZSA-N 2 2 389.337 3.484 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1CC[NH3+] ZINC000652354647 566605020 /nfs/dbraw/zinc/60/50/20/566605020.db2.gz DEBXQELSLFMEBH-CZUORRHYSA-N 2 2 393.329 3.372 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1CC[NH3+] ZINC000652354647 566605029 /nfs/dbraw/zinc/60/50/29/566605029.db2.gz DEBXQELSLFMEBH-CZUORRHYSA-N 2 2 393.329 3.372 20 0 GGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1CC[NH3+] ZINC000652354074 566605189 /nfs/dbraw/zinc/60/51/89/566605189.db2.gz MNHDGVUBYUHUQU-BXUZGUMPSA-N 2 2 375.847 3.329 20 0 GGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1CC[NH3+] ZINC000652354074 566605195 /nfs/dbraw/zinc/60/51/95/566605195.db2.gz MNHDGVUBYUHUQU-BXUZGUMPSA-N 2 2 375.847 3.329 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000652361123 566605606 /nfs/dbraw/zinc/60/56/06/566605606.db2.gz YLXMWTNZRPBPBI-XOKHGSTOSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000652361123 566605610 /nfs/dbraw/zinc/60/56/10/566605610.db2.gz YLXMWTNZRPBPBI-XOKHGSTOSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccc(Br)s3)no1)C2 ZINC000652352107 566606074 /nfs/dbraw/zinc/60/60/74/566606074.db2.gz FWMKKJPKJYGRBH-BONVTDFDSA-N 2 2 383.315 3.121 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3ccc(Br)s3)no1)C2 ZINC000652352107 566606082 /nfs/dbraw/zinc/60/60/82/566606082.db2.gz FWMKKJPKJYGRBH-BONVTDFDSA-N 2 2 383.315 3.121 20 0 GGADLP CCCOc1ccc(Br)cc1C[N@H+](C)C1CC[NH+](CCO)CC1 ZINC000513554855 566608617 /nfs/dbraw/zinc/60/86/17/566608617.db2.gz TVOIGBMLHFBMQW-UHFFFAOYSA-N 2 2 385.346 3.126 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000539850509 566609018 /nfs/dbraw/zinc/60/90/18/566609018.db2.gz MVINOTRTTXINRY-CYBMUJFWSA-N 2 2 391.375 3.452 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000539850509 566609020 /nfs/dbraw/zinc/60/90/20/566609020.db2.gz MVINOTRTTXINRY-CYBMUJFWSA-N 2 2 391.375 3.452 20 0 GGADLP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)c2ccsc2S1 ZINC000560357781 566618676 /nfs/dbraw/zinc/61/86/76/566618676.db2.gz XFGUAWOCQAOICC-LMRQPLJMSA-N 2 2 376.551 3.216 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2[nH+]ccn2C)c2ccsc2S1 ZINC000560357780 566619020 /nfs/dbraw/zinc/61/90/20/566619020.db2.gz XFGUAWOCQAOICC-CAVOSLQRSA-N 2 2 376.551 3.216 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000560405046 566622112 /nfs/dbraw/zinc/62/21/12/566622112.db2.gz WSOZTFLEHKITMS-UHFFFAOYSA-N 2 2 375.523 3.337 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1nc(-c2cccs2)cs1 ZINC000560405046 566622125 /nfs/dbraw/zinc/62/21/25/566622125.db2.gz WSOZTFLEHKITMS-UHFFFAOYSA-N 2 2 375.523 3.337 20 0 GGADLP Cc1cc(NC(=O)C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1Br ZINC000579829839 566643516 /nfs/dbraw/zinc/64/35/16/566643516.db2.gz MBYKXORKOAGBRA-UHFFFAOYSA-N 2 2 380.330 3.160 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000653059857 566647315 /nfs/dbraw/zinc/64/73/15/566647315.db2.gz PWWSKJZTKDPOHV-AWEZNQCLSA-N 2 2 387.336 3.258 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000653058289 566648106 /nfs/dbraw/zinc/64/81/06/566648106.db2.gz MVRDXJSFMGBGJP-QGZVFWFLSA-N 2 2 392.297 3.459 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000653075695 566648862 /nfs/dbraw/zinc/64/88/62/566648862.db2.gz XOPDGUQQSITHQZ-MSOLQXFVSA-N 2 2 380.319 3.478 20 0 GGADLP CCC1(CC)CN(C(=O)[C@H]([NH3+])CC[NH+](C)C)c2ccc(Br)cc21 ZINC000653104628 566650705 /nfs/dbraw/zinc/65/07/05/566650705.db2.gz NEUIATNXKYJZOI-OAHLLOKOSA-N 2 2 382.346 3.133 20 0 GGADLP Cc1sc([C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc1-c1ccc(Cl)cc1 ZINC000653099018 566651551 /nfs/dbraw/zinc/65/15/51/566651551.db2.gz BQRKMVFWUUHYSK-XHDPSFHLSA-N 2 2 380.945 3.228 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000653094512 566651595 /nfs/dbraw/zinc/65/15/95/566651595.db2.gz IDJOVTDCSMAHTI-KRWDZBQOSA-N 2 2 396.373 3.046 20 0 GGADLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000514603641 566654729 /nfs/dbraw/zinc/65/47/29/566654729.db2.gz UJKMVEFFWDWOTE-AWEZNQCLSA-N 2 2 375.314 3.338 20 0 GGADLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000514603641 566654733 /nfs/dbraw/zinc/65/47/33/566654733.db2.gz UJKMVEFFWDWOTE-AWEZNQCLSA-N 2 2 375.314 3.338 20 0 GGADLP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000675605803 566655597 /nfs/dbraw/zinc/65/55/97/566655597.db2.gz YRWMFUCQPSYNRZ-SFHVURJKSA-N 2 2 394.357 3.014 20 0 GGADLP C[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000675605803 566655604 /nfs/dbraw/zinc/65/56/04/566655604.db2.gz YRWMFUCQPSYNRZ-SFHVURJKSA-N 2 2 394.357 3.014 20 0 GGADLP Cc1[nH+]cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)n1C ZINC000514615745 566657552 /nfs/dbraw/zinc/65/75/52/566657552.db2.gz DSHHJTCHBORYEK-AWEZNQCLSA-N 2 2 392.219 3.333 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000540594913 566659489 /nfs/dbraw/zinc/65/94/89/566659489.db2.gz JBEFFUBQQYIMGK-LSDHHAIUSA-N 2 2 385.346 3.201 20 0 GGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000580055485 566660933 /nfs/dbraw/zinc/66/09/33/566660933.db2.gz ULLGGLXHOOOGDO-CRAIPNDOSA-N 2 2 386.323 3.150 20 0 GGADLP Fc1cc2[nH+]ccc(N3CC[NH+](C4CCOCC4)CC3)c2cc1Br ZINC000450367591 566661879 /nfs/dbraw/zinc/66/18/79/566661879.db2.gz XJRBHJXFNROOHI-UHFFFAOYSA-N 2 2 394.288 3.437 20 0 GGADLP O=C(NCCC1CC[NH2+]CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000653272600 566662324 /nfs/dbraw/zinc/66/23/24/566662324.db2.gz VQQFCDCUBUCDEC-SFHVURJKSA-N 2 2 394.357 3.092 20 0 GGADLP Fc1cc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2cc1Br ZINC000450370185 566663837 /nfs/dbraw/zinc/66/38/37/566663837.db2.gz WIOJZZLKHMYJQB-ZDUSSCGKSA-N 2 2 394.288 3.295 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@H]1C(F)(F)F ZINC000629568160 566668014 /nfs/dbraw/zinc/66/80/14/566668014.db2.gz RVBNTISCKMKGHB-CHWSQXEVSA-N 2 2 378.822 3.460 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@H]1C(F)(F)F ZINC000629568160 566668017 /nfs/dbraw/zinc/66/80/17/566668017.db2.gz RVBNTISCKMKGHB-CHWSQXEVSA-N 2 2 378.822 3.460 20 0 GGADLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000675886622 566668745 /nfs/dbraw/zinc/66/87/45/566668745.db2.gz SSKITOOBBVDSFS-APWZRJJASA-N 2 2 386.367 3.441 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(Br)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366954 566669710 /nfs/dbraw/zinc/66/97/10/566669710.db2.gz ZODIMBLKSMJVSC-LJQANCHMSA-N 2 2 375.310 3.176 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(Br)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366954 566669714 /nfs/dbraw/zinc/66/97/14/566669714.db2.gz ZODIMBLKSMJVSC-LJQANCHMSA-N 2 2 375.310 3.176 20 0 GGADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)[C@H](C)C1 ZINC000450452014 566671682 /nfs/dbraw/zinc/67/16/82/566671682.db2.gz GVGWPQXBEBTHAZ-VXGBXAGGSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)[C@H](C)C1 ZINC000450452014 566671691 /nfs/dbraw/zinc/67/16/91/566671691.db2.gz GVGWPQXBEBTHAZ-VXGBXAGGSA-N 2 2 382.277 3.028 20 0 GGADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000653504415 566673702 /nfs/dbraw/zinc/67/37/02/566673702.db2.gz TXDKGQPEARAQAF-UHFFFAOYSA-N 2 2 381.307 3.118 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)CC[C@@H]1C(F)(F)F ZINC000629652498 566675882 /nfs/dbraw/zinc/67/58/82/566675882.db2.gz BCVAVVHYRPFDKB-OCCSQVGLSA-N 2 2 393.247 3.343 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Br)cc3c2OCC3)CC[C@@H]1C(F)(F)F ZINC000629652498 566675883 /nfs/dbraw/zinc/67/58/83/566675883.db2.gz BCVAVVHYRPFDKB-OCCSQVGLSA-N 2 2 393.247 3.343 20 0 GGADLP [NH3+]C[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[C@H]1C(F)(F)F ZINC000629655455 566676520 /nfs/dbraw/zinc/67/65/20/566676520.db2.gz KYPGRRQHDXNYMZ-ZWNOBZJWSA-N 2 2 391.235 3.056 20 0 GGADLP CC(C)Sc1cc(Br)ccc1C[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000629654522 566676602 /nfs/dbraw/zinc/67/66/02/566676602.db2.gz YLLWPEKEAMUUFL-UHFFFAOYSA-N 2 2 397.342 3.194 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000629657203 566676984 /nfs/dbraw/zinc/67/69/84/566676984.db2.gz UUTXPUWRIBWWNI-QWHCGFSZSA-N 2 2 378.460 3.385 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000629657203 566676992 /nfs/dbraw/zinc/67/69/92/566676992.db2.gz UUTXPUWRIBWWNI-QWHCGFSZSA-N 2 2 378.460 3.385 20 0 GGADLP O[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1ccc(Cl)cc1Cl ZINC000514932665 566680049 /nfs/dbraw/zinc/68/00/49/566680049.db2.gz ZVUCKRWQMDCODK-OAHLLOKOSA-N 2 2 380.275 3.213 20 0 GGADLP COc1cccc(OCC[NH+]2CCN(c3cc[nH+]cc3Br)CC2)c1 ZINC000561259333 566689560 /nfs/dbraw/zinc/68/95/60/566689560.db2.gz MUGGQEQFYFQTQZ-UHFFFAOYSA-N 2 2 392.297 3.054 20 0 GGADLP C[NH+](C)CCN(Cc1cn2cc(Br)ccc2[nH+]1)Cc1ccccn1 ZINC000653731102 566689532 /nfs/dbraw/zinc/68/95/32/566689532.db2.gz YYXKUWSHCKQRRW-UHFFFAOYSA-N 2 2 388.313 3.056 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ncc(Br)s3)[nH+]c2)CC1 ZINC000541080777 566693790 /nfs/dbraw/zinc/69/37/90/566693790.db2.gz ZLYTZILTNOQYHG-UHFFFAOYSA-N 2 2 396.358 3.443 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccccc1Br ZINC000676477662 566698939 /nfs/dbraw/zinc/69/89/39/566698939.db2.gz JTMORPTWMJCJJS-CQSZACIVSA-N 2 2 377.286 3.311 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccccc1Br ZINC000676477662 566698944 /nfs/dbraw/zinc/69/89/44/566698944.db2.gz JTMORPTWMJCJJS-CQSZACIVSA-N 2 2 377.286 3.311 20 0 GGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505155 566718031 /nfs/dbraw/zinc/71/80/31/566718031.db2.gz MAYZXVGAQMZHFW-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505155 566718036 /nfs/dbraw/zinc/71/80/36/566718036.db2.gz MAYZXVGAQMZHFW-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505155 566718040 /nfs/dbraw/zinc/71/80/40/566718040.db2.gz MAYZXVGAQMZHFW-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505155 566718042 /nfs/dbraw/zinc/71/80/42/566718042.db2.gz MAYZXVGAQMZHFW-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c[nH+]c12 ZINC000541535223 566732516 /nfs/dbraw/zinc/73/25/16/566732516.db2.gz TXQQSXILKZJNEL-WMLDXEAASA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c[nH+]c12 ZINC000541535223 566732523 /nfs/dbraw/zinc/73/25/23/566732523.db2.gz TXQQSXILKZJNEL-WMLDXEAASA-N 2 2 377.330 3.321 20 0 GGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541683192 566743284 /nfs/dbraw/zinc/74/32/84/566743284.db2.gz JFMDOEYKEMRXGI-LBPRGKRZSA-N 2 2 376.258 3.437 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427107660 566747972 /nfs/dbraw/zinc/74/79/72/566747972.db2.gz LKQKJMNRTUUNLR-HNAYVOBHSA-N 2 2 389.341 3.435 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427107660 566747983 /nfs/dbraw/zinc/74/79/83/566747983.db2.gz LKQKJMNRTUUNLR-HNAYVOBHSA-N 2 2 389.341 3.435 20 0 GGADLP CC[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000469011260 566752882 /nfs/dbraw/zinc/75/28/82/566752882.db2.gz OGHAXBBGESXKDC-KXBFYZLASA-N 2 2 391.357 3.461 20 0 GGADLP CC[C@@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)[N@H+]1CCc2ccccc2C1 ZINC000469011260 566752888 /nfs/dbraw/zinc/75/28/88/566752888.db2.gz OGHAXBBGESXKDC-KXBFYZLASA-N 2 2 391.357 3.461 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000469058621 566758098 /nfs/dbraw/zinc/75/80/98/566758098.db2.gz OYQZAGKUILYKFY-MAUKXSAKSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000469058621 566758106 /nfs/dbraw/zinc/75/81/06/566758106.db2.gz OYQZAGKUILYKFY-MAUKXSAKSA-N 2 2 377.330 3.288 20 0 GGADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3csc(Cl)c3Cl)CC2)CC1 ZINC000516347776 566759901 /nfs/dbraw/zinc/75/99/01/566759901.db2.gz HIYZVFQTSLPIJE-UHFFFAOYSA-N 2 2 376.353 3.041 20 0 GGADLP Cc1cc(Br)c2ccccc2c1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000581238711 566760800 /nfs/dbraw/zinc/76/08/00/566760800.db2.gz NHMDKJHQAUIKIT-ZDUSSCGKSA-N 2 2 391.313 3.017 20 0 GGADLP Cc1cc(Br)c2ccccc2c1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000581238711 566760804 /nfs/dbraw/zinc/76/08/04/566760804.db2.gz NHMDKJHQAUIKIT-ZDUSSCGKSA-N 2 2 391.313 3.017 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]CCCS(=O)(=O)c3ccc(Cl)cc3)n2c1 ZINC000581264041 566762695 /nfs/dbraw/zinc/76/26/95/566762695.db2.gz QXCBARJTSVEEEV-UHFFFAOYSA-N 2 2 377.897 3.250 20 0 GGADLP CCc1ccc([C@@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000469118781 566763390 /nfs/dbraw/zinc/76/33/90/566763390.db2.gz UKQMIJCLRSOLRE-KBXCAEBGSA-N 2 2 379.346 3.489 20 0 GGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000516488854 566763980 /nfs/dbraw/zinc/76/39/80/566763980.db2.gz NEVAOVLLKQKXAX-HNNXBMFYSA-N 2 2 383.330 3.013 20 0 GGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000516488854 566763988 /nfs/dbraw/zinc/76/39/88/566763988.db2.gz NEVAOVLLKQKXAX-HNNXBMFYSA-N 2 2 383.330 3.013 20 0 GGADLP COc1cc(NCc2ccc(OCC[NH+](C)C)cc2)[nH+]cc1Br ZINC000677811807 566764151 /nfs/dbraw/zinc/76/41/51/566764151.db2.gz VURLFFLHMCIPSG-UHFFFAOYSA-N 2 2 380.286 3.405 20 0 GGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000581300977 566766096 /nfs/dbraw/zinc/76/60/96/566766096.db2.gz OWYWQZGNGWXHKL-CRAIPNDOSA-N 2 2 386.323 3.150 20 0 GGADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000581300980 566766140 /nfs/dbraw/zinc/76/61/40/566766140.db2.gz OWYWQZGNGWXHKL-YJBOKZPZSA-N 2 2 386.323 3.150 20 0 GGADLP Brc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2c1OCCO2 ZINC000678190652 566787767 /nfs/dbraw/zinc/78/77/67/566787767.db2.gz QKRRQEBQNFPPCS-ZDUSSCGKSA-N 2 2 378.270 3.323 20 0 GGADLP Brc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc2c1OCCO2 ZINC000678190652 566787771 /nfs/dbraw/zinc/78/77/71/566787771.db2.gz QKRRQEBQNFPPCS-ZDUSSCGKSA-N 2 2 378.270 3.323 20 0 GGADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000516886001 566788812 /nfs/dbraw/zinc/78/88/12/566788812.db2.gz DMHQQKIRORUYMP-UHFFFAOYSA-N 2 2 381.307 3.050 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000631193503 566788730 /nfs/dbraw/zinc/78/87/30/566788730.db2.gz FYYDTFBKUZNWIZ-WBVHZDCISA-N 2 2 378.563 3.009 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000631193503 566788737 /nfs/dbraw/zinc/78/87/37/566788737.db2.gz FYYDTFBKUZNWIZ-WBVHZDCISA-N 2 2 378.563 3.009 20 0 GGADLP Brc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc2c1OCCO2 ZINC000678235143 566789269 /nfs/dbraw/zinc/78/92/69/566789269.db2.gz OSFMICMAKGTQFW-AWEZNQCLSA-N 2 2 378.270 3.254 20 0 GGADLP Brc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc2c1OCCO2 ZINC000678235143 566789271 /nfs/dbraw/zinc/78/92/71/566789271.db2.gz OSFMICMAKGTQFW-AWEZNQCLSA-N 2 2 378.270 3.254 20 0 GGADLP C[C@@H](CCCC[NH3+])NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000516926865 566793935 /nfs/dbraw/zinc/79/39/35/566793935.db2.gz ZXOPAYZZSDDFJY-YOEHRIQHSA-N 2 2 382.346 3.220 20 0 GGADLP O[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1cc(Cl)ccc1Cl ZINC000581721312 566802099 /nfs/dbraw/zinc/80/20/99/566802099.db2.gz OZBYGFXGKSEKMA-OAHLLOKOSA-N 2 2 380.275 3.213 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469744847 566811093 /nfs/dbraw/zinc/81/10/93/566811093.db2.gz NBIYJFXLSRVGIP-CXAGYDPISA-N 2 2 390.281 3.324 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469744847 566811099 /nfs/dbraw/zinc/81/10/99/566811099.db2.gz NBIYJFXLSRVGIP-CXAGYDPISA-N 2 2 390.281 3.324 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)OCCO2 ZINC000469742469 566811330 /nfs/dbraw/zinc/81/13/30/566811330.db2.gz SJPRRNMJTZHQDM-HNNXBMFYSA-N 2 2 391.265 3.269 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CC[C@H](Oc3cc[nH+]cc3)C1)OCCO2 ZINC000469742469 566811334 /nfs/dbraw/zinc/81/13/34/566811334.db2.gz SJPRRNMJTZHQDM-HNNXBMFYSA-N 2 2 391.265 3.269 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000428035421 566811696 /nfs/dbraw/zinc/81/16/96/566811696.db2.gz FVYBEQATFPHFBK-JCGIZDLHSA-N 2 2 382.335 3.341 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000428035421 566811702 /nfs/dbraw/zinc/81/17/02/566811702.db2.gz FVYBEQATFPHFBK-JCGIZDLHSA-N 2 2 382.335 3.341 20 0 GGADLP COc1ccc(Br)cc1CN(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719981 566814423 /nfs/dbraw/zinc/81/44/23/566814423.db2.gz TYXBDHKRWZQWCI-GOSISDBHSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(Br)cc1CN(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719981 566814429 /nfs/dbraw/zinc/81/44/29/566814429.db2.gz TYXBDHKRWZQWCI-GOSISDBHSA-N 2 2 396.373 3.058 20 0 GGADLP CN(Cc1cc(Br)ccc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719057 566814495 /nfs/dbraw/zinc/81/44/95/566814495.db2.gz HAJCMWRJKDPEEC-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1cc(Br)ccc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719057 566814500 /nfs/dbraw/zinc/81/45/00/566814500.db2.gz HAJCMWRJKDPEEC-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@H+](Cc1cc(Br)ccc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719057 566814505 /nfs/dbraw/zinc/81/45/05/566814505.db2.gz HAJCMWRJKDPEEC-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@@H+](Cc1cc(Br)ccc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719057 566814509 /nfs/dbraw/zinc/81/45/09/566814509.db2.gz HAJCMWRJKDPEEC-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(Br)c1OC(F)F ZINC000469862883 566821614 /nfs/dbraw/zinc/82/16/14/566821614.db2.gz NXQNJMXVGYTZBG-MWLCHTKSSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(Br)c1OC(F)F ZINC000469862883 566821621 /nfs/dbraw/zinc/82/16/21/566821621.db2.gz NXQNJMXVGYTZBG-MWLCHTKSSA-N 2 2 379.245 3.228 20 0 GGADLP COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCCCn2cc[nH+]c2C)c1 ZINC000451456185 566821937 /nfs/dbraw/zinc/82/19/37/566821937.db2.gz KRPZVNVSSFHULS-GOSISDBHSA-N 2 2 396.329 3.408 20 0 GGADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000517370044 566822803 /nfs/dbraw/zinc/82/28/03/566822803.db2.gz FBQFFTZPDTXBFF-GOSISDBHSA-N 2 2 396.373 3.386 20 0 GGADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](CC)c2ccc(Br)cc2)CC1 ZINC000517370044 566822804 /nfs/dbraw/zinc/82/28/04/566822804.db2.gz FBQFFTZPDTXBFF-GOSISDBHSA-N 2 2 396.373 3.386 20 0 GGADLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(Br)c1OC(F)F ZINC000469878084 566823528 /nfs/dbraw/zinc/82/35/28/566823528.db2.gz AQCZXXNSLGBYOI-GMXVVIOVSA-N 2 2 391.256 3.228 20 0 GGADLP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(Br)c1OC(F)F ZINC000469878084 566823532 /nfs/dbraw/zinc/82/35/32/566823532.db2.gz AQCZXXNSLGBYOI-GMXVVIOVSA-N 2 2 391.256 3.228 20 0 GGADLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(Br)c1OC(F)F ZINC000469878085 566823717 /nfs/dbraw/zinc/82/37/17/566823717.db2.gz AQCZXXNSLGBYOI-GVXVVHGQSA-N 2 2 391.256 3.228 20 0 GGADLP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(Br)c1OC(F)F ZINC000469878085 566823724 /nfs/dbraw/zinc/82/37/24/566823724.db2.gz AQCZXXNSLGBYOI-GVXVVHGQSA-N 2 2 391.256 3.228 20 0 GGADLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(Br)c1OC(F)F ZINC000469878083 566823756 /nfs/dbraw/zinc/82/37/56/566823756.db2.gz AQCZXXNSLGBYOI-DMDPSCGWSA-N 2 2 391.256 3.228 20 0 GGADLP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(Br)c1OC(F)F ZINC000469878083 566823762 /nfs/dbraw/zinc/82/37/62/566823762.db2.gz AQCZXXNSLGBYOI-DMDPSCGWSA-N 2 2 391.256 3.228 20 0 GGADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)C1 ZINC000562839571 566826764 /nfs/dbraw/zinc/82/67/64/566826764.db2.gz RXUMOEVPRZAEFH-XJKSGUPXSA-N 2 2 386.323 3.150 20 0 GGADLP CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428291941 566830954 /nfs/dbraw/zinc/83/09/54/566830954.db2.gz VUXHDYNMQRRXDP-INIZCTEOSA-N 2 2 384.615 3.387 20 0 GGADLP CC[C@@H](CSC)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428291941 566830959 /nfs/dbraw/zinc/83/09/59/566830959.db2.gz VUXHDYNMQRRXDP-INIZCTEOSA-N 2 2 384.615 3.387 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000655690986 566836085 /nfs/dbraw/zinc/83/60/85/566836085.db2.gz ATZAZRFQTGFNNM-BBRMVZONSA-N 2 2 383.330 3.362 20 0 GGADLP CSCC[C@H](C)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428390302 566838315 /nfs/dbraw/zinc/83/83/15/566838315.db2.gz SWHIGCIPZSCQNW-HNNXBMFYSA-N 2 2 384.615 3.387 20 0 GGADLP CSCC[C@H](C)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428390302 566838318 /nfs/dbraw/zinc/83/83/18/566838318.db2.gz SWHIGCIPZSCQNW-HNNXBMFYSA-N 2 2 384.615 3.387 20 0 GGADLP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000470014298 566839165 /nfs/dbraw/zinc/83/91/65/566839165.db2.gz YAVUULCCOIEFLQ-JTQLQIEISA-N 2 2 379.245 3.230 20 0 GGADLP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000470014298 566839169 /nfs/dbraw/zinc/83/91/69/566839169.db2.gz YAVUULCCOIEFLQ-JTQLQIEISA-N 2 2 379.245 3.230 20 0 GGADLP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470019845 566839442 /nfs/dbraw/zinc/83/94/42/566839442.db2.gz VJKQDOFJPRMZNW-BYICEURKSA-N 2 2 375.314 3.350 20 0 GGADLP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000470019845 566839449 /nfs/dbraw/zinc/83/94/49/566839449.db2.gz VJKQDOFJPRMZNW-BYICEURKSA-N 2 2 375.314 3.350 20 0 GGADLP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1Cl ZINC000655751851 566843258 /nfs/dbraw/zinc/84/32/58/566843258.db2.gz GRSHGCFLGXPBAZ-DOTOQJQBSA-N 2 2 384.351 3.415 20 0 GGADLP OCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000655752320 566844959 /nfs/dbraw/zinc/84/49/59/566844959.db2.gz XJUKTFWBHIHNER-APWZRJJASA-N 2 2 397.357 3.106 20 0 GGADLP COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679331789 566849810 /nfs/dbraw/zinc/84/98/10/566849810.db2.gz AIPSUDKXPSRNST-ZWKOTPCHSA-N 2 2 385.346 3.227 20 0 GGADLP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679331789 566849812 /nfs/dbraw/zinc/84/98/12/566849812.db2.gz AIPSUDKXPSRNST-ZWKOTPCHSA-N 2 2 385.346 3.227 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679343212 566849901 /nfs/dbraw/zinc/84/99/01/566849901.db2.gz WUXHJDGSZVJEPE-RBUKOAKNSA-N 2 2 397.357 3.106 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000470161190 566851276 /nfs/dbraw/zinc/85/12/76/566851276.db2.gz NIRHCNNQXKKNII-VKJFTORMSA-N 2 2 377.330 3.459 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000470161190 566851282 /nfs/dbraw/zinc/85/12/82/566851282.db2.gz NIRHCNNQXKKNII-VKJFTORMSA-N 2 2 377.330 3.459 20 0 GGADLP Cc1cccn2c(C[NH2+]C[C@H](CO)Cc3ccccc3Br)c[nH+]c12 ZINC000428541636 566854691 /nfs/dbraw/zinc/85/46/91/566854691.db2.gz VXSYMJVCFRCGEZ-OAHLLOKOSA-N 2 2 388.309 3.346 20 0 GGADLP Ic1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000610762502 566861110 /nfs/dbraw/zinc/86/11/10/566861110.db2.gz QMVLCILCZCHRQG-UHFFFAOYSA-N 2 2 379.245 3.008 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554151 566874586 /nfs/dbraw/zinc/87/45/86/566874586.db2.gz DUZBRTMDECGDLP-LRDDRELGSA-N 2 2 379.291 3.322 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554151 566874591 /nfs/dbraw/zinc/87/45/91/566874591.db2.gz DUZBRTMDECGDLP-LRDDRELGSA-N 2 2 379.291 3.322 20 0 GGADLP Cc1[nH+]cc(C[NH2+]CCSCCOc2cccc(Br)c2)n1C ZINC000563439291 566883602 /nfs/dbraw/zinc/88/36/02/566883602.db2.gz LAKFWEXPPJBNTQ-UHFFFAOYSA-N 2 2 384.343 3.393 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000656252308 566889619 /nfs/dbraw/zinc/88/96/19/566889619.db2.gz SCTLREDZZRPTHW-HNNXBMFYSA-N 2 2 377.330 3.327 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000656252308 566889628 /nfs/dbraw/zinc/88/96/28/566889628.db2.gz SCTLREDZZRPTHW-HNNXBMFYSA-N 2 2 377.330 3.327 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000656254649 566889953 /nfs/dbraw/zinc/88/99/53/566889953.db2.gz DJFOVOPMJUKDEF-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000656254649 566889962 /nfs/dbraw/zinc/88/99/62/566889962.db2.gz DJFOVOPMJUKDEF-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000656254649 566889968 /nfs/dbraw/zinc/88/99/68/566889968.db2.gz DJFOVOPMJUKDEF-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000656254649 566889977 /nfs/dbraw/zinc/88/99/77/566889977.db2.gz DJFOVOPMJUKDEF-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000656252334 566890761 /nfs/dbraw/zinc/89/07/61/566890761.db2.gz SPEGEMYCJIHHPR-HNNXBMFYSA-N 2 2 377.330 3.327 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000656252334 566890770 /nfs/dbraw/zinc/89/07/70/566890770.db2.gz SPEGEMYCJIHHPR-HNNXBMFYSA-N 2 2 377.330 3.327 20 0 GGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000491056496 566891786 /nfs/dbraw/zinc/89/17/86/566891786.db2.gz BINFSESEEOOHMB-ROUUACIJSA-N 2 2 381.289 3.190 20 0 GGADLP Fc1cc2c(cc1Br)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CO2 ZINC000656260292 566895640 /nfs/dbraw/zinc/89/56/40/566895640.db2.gz TUTHCQCYBLRDFX-SUMWQHHRSA-N 2 2 399.304 3.255 20 0 GGADLP C[C@]1(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC[NH2+]C1 ZINC000563624583 566901869 /nfs/dbraw/zinc/90/18/69/566901869.db2.gz WHXBCVSQKKZVBX-HKUYNNGSSA-N 2 2 394.357 3.092 20 0 GGADLP C[C@@]1(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC[NH2+]C1 ZINC000563624608 566902376 /nfs/dbraw/zinc/90/23/76/566902376.db2.gz WHXBCVSQKKZVBX-PKOBYXMFSA-N 2 2 394.357 3.092 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470982419 566920786 /nfs/dbraw/zinc/92/07/86/566920786.db2.gz KXXSJEDSGAMLEA-GDBMZVCRSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470982419 566920788 /nfs/dbraw/zinc/92/07/88/566920788.db2.gz KXXSJEDSGAMLEA-GDBMZVCRSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470982419 566920792 /nfs/dbraw/zinc/92/07/92/566920792.db2.gz KXXSJEDSGAMLEA-GDBMZVCRSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470982419 566920793 /nfs/dbraw/zinc/92/07/93/566920793.db2.gz KXXSJEDSGAMLEA-GDBMZVCRSA-N 2 2 394.357 3.440 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000471044821 566924896 /nfs/dbraw/zinc/92/48/96/566924896.db2.gz UYHLEMHKOORFNP-HNNXBMFYSA-N 2 2 386.367 3.316 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000471044821 566924904 /nfs/dbraw/zinc/92/49/04/566924904.db2.gz UYHLEMHKOORFNP-HNNXBMFYSA-N 2 2 386.367 3.316 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000471044821 566924907 /nfs/dbraw/zinc/92/49/07/566924907.db2.gz UYHLEMHKOORFNP-HNNXBMFYSA-N 2 2 386.367 3.316 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000471044821 566924914 /nfs/dbraw/zinc/92/49/14/566924914.db2.gz UYHLEMHKOORFNP-HNNXBMFYSA-N 2 2 386.367 3.316 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(Cl)c1Cl ZINC000519211984 566925837 /nfs/dbraw/zinc/92/58/37/566925837.db2.gz QCQRHODEHFZAKM-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(Cl)c1Cl ZINC000519211984 566925845 /nfs/dbraw/zinc/92/58/45/566925845.db2.gz QCQRHODEHFZAKM-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195064 566928144 /nfs/dbraw/zinc/92/81/44/566928144.db2.gz IHJDKKUVVNKHHC-VCBZYWHSSA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195064 566928146 /nfs/dbraw/zinc/92/81/46/566928146.db2.gz IHJDKKUVVNKHHC-VCBZYWHSSA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195065 566928567 /nfs/dbraw/zinc/92/85/67/566928567.db2.gz IHJDKKUVVNKHHC-ZRGWGRIASA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195065 566928572 /nfs/dbraw/zinc/92/85/72/566928572.db2.gz IHJDKKUVVNKHHC-ZRGWGRIASA-N 2 2 378.358 3.348 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000583258592 566934950 /nfs/dbraw/zinc/93/49/50/566934950.db2.gz OUCADEQZSUDAHJ-VQIMIIECSA-N 2 2 378.563 3.195 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000583258592 566934956 /nfs/dbraw/zinc/93/49/56/566934956.db2.gz OUCADEQZSUDAHJ-VQIMIIECSA-N 2 2 378.563 3.195 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429554364 566938051 /nfs/dbraw/zinc/93/80/51/566938051.db2.gz IXZOGAZXCOXBLO-YJBOKZPZSA-N 2 2 396.373 3.212 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429554364 566938057 /nfs/dbraw/zinc/93/80/57/566938057.db2.gz IXZOGAZXCOXBLO-YJBOKZPZSA-N 2 2 396.373 3.212 20 0 GGADLP C[C@@H](NC(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000452118378 566939589 /nfs/dbraw/zinc/93/95/89/566939589.db2.gz OVRMSXRSECLQPP-CYBMUJFWSA-N 2 2 377.476 3.274 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000452118378 566939595 /nfs/dbraw/zinc/93/95/95/566939595.db2.gz OVRMSXRSECLQPP-CYBMUJFWSA-N 2 2 377.476 3.274 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000519534273 566944951 /nfs/dbraw/zinc/94/49/51/566944951.db2.gz WDFTYEGOCWMELB-LBPRGKRZSA-N 2 2 377.279 3.297 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000519534273 566944958 /nfs/dbraw/zinc/94/49/58/566944958.db2.gz WDFTYEGOCWMELB-LBPRGKRZSA-N 2 2 377.279 3.297 20 0 GGADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000519612710 566951652 /nfs/dbraw/zinc/95/16/52/566951652.db2.gz ZQILVYDYKINNAV-RDJZCZTQSA-N 2 2 389.284 3.446 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000519666205 566956309 /nfs/dbraw/zinc/95/63/09/566956309.db2.gz BBMANDRRZBWHBS-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000519666205 566956316 /nfs/dbraw/zinc/95/63/16/566956316.db2.gz BBMANDRRZBWHBS-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000519666205 566956321 /nfs/dbraw/zinc/95/63/21/566956321.db2.gz BBMANDRRZBWHBS-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000519666205 566956328 /nfs/dbraw/zinc/95/63/28/566956328.db2.gz BBMANDRRZBWHBS-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000519666202 566957087 /nfs/dbraw/zinc/95/70/87/566957087.db2.gz BBMANDRRZBWHBS-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000519666202 566957092 /nfs/dbraw/zinc/95/70/92/566957092.db2.gz BBMANDRRZBWHBS-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000519666202 566957095 /nfs/dbraw/zinc/95/70/95/566957095.db2.gz BBMANDRRZBWHBS-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000519666202 566957097 /nfs/dbraw/zinc/95/70/97/566957097.db2.gz BBMANDRRZBWHBS-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP Cc1nc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ccc1Br ZINC000583528633 566960236 /nfs/dbraw/zinc/96/02/36/566960236.db2.gz DUNOKIVZGWZBRG-UHFFFAOYSA-N 2 2 381.362 3.147 20 0 GGADLP CSc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000583722214 566976674 /nfs/dbraw/zinc/97/66/74/566976674.db2.gz NAKQAZUGXNOXSB-UHFFFAOYSA-N 2 2 378.563 3.471 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430135429 566989675 /nfs/dbraw/zinc/98/96/75/566989675.db2.gz GDFGRQDSPWCRCN-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430135429 566989679 /nfs/dbraw/zinc/98/96/79/566989679.db2.gz GDFGRQDSPWCRCN-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430135429 566989685 /nfs/dbraw/zinc/98/96/85/566989685.db2.gz GDFGRQDSPWCRCN-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430135429 566989688 /nfs/dbraw/zinc/98/96/88/566989688.db2.gz GDFGRQDSPWCRCN-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP CC[C@@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[NH+](CC)CC ZINC000544776719 566993695 /nfs/dbraw/zinc/99/36/95/566993695.db2.gz AAEFBCGSUHWQLQ-INIZCTEOSA-N 2 2 395.345 3.184 20 0 GGADLP CCOc1cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc(Br)c1OC ZINC000494416353 567000357 /nfs/dbraw/zinc/00/03/57/567000357.db2.gz TZOFBOVDKFYDDJ-CYBMUJFWSA-N 2 2 380.286 3.158 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CCC2 ZINC000584048328 567006746 /nfs/dbraw/zinc/00/67/46/567006746.db2.gz LUZSMYGPRGYVQS-KGLIPLIRSA-N 2 2 384.307 3.405 20 0 GGADLP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000430567469 567021255 /nfs/dbraw/zinc/02/12/55/567021255.db2.gz AWHXKFLCIVIYQN-AWEZNQCLSA-N 2 2 382.346 3.406 20 0 GGADLP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000430567470 567021647 /nfs/dbraw/zinc/02/16/47/567021647.db2.gz AWHXKFLCIVIYQN-CQSZACIVSA-N 2 2 382.346 3.406 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000545159469 567023545 /nfs/dbraw/zinc/02/35/45/567023545.db2.gz LMDWUELUQZHWOW-RTBURBONSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000545159469 567023550 /nfs/dbraw/zinc/02/35/50/567023550.db2.gz LMDWUELUQZHWOW-RTBURBONSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000545159468 567024045 /nfs/dbraw/zinc/02/40/45/567024045.db2.gz LMDWUELUQZHWOW-RBUKOAKNSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000545159468 567024051 /nfs/dbraw/zinc/02/40/51/567024051.db2.gz LMDWUELUQZHWOW-RBUKOAKNSA-N 2 2 393.300 3.334 20 0 GGADLP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430641139 567026864 /nfs/dbraw/zinc/02/68/64/567026864.db2.gz ICMGZQPWLGVISZ-JTQLQIEISA-N 2 2 394.235 3.077 20 0 GGADLP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430641139 567026872 /nfs/dbraw/zinc/02/68/72/567026872.db2.gz ICMGZQPWLGVISZ-JTQLQIEISA-N 2 2 394.235 3.077 20 0 GGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(c3cccc(Br)c3)CC2)n1 ZINC000564989736 567028398 /nfs/dbraw/zinc/02/83/98/567028398.db2.gz YQWJUDNTUZJFIF-UHFFFAOYSA-N 2 2 379.302 3.406 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cs1 ZINC000430743919 567032782 /nfs/dbraw/zinc/03/27/82/567032782.db2.gz SNYCQYZYJDIGSB-OAHLLOKOSA-N 2 2 378.929 3.040 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cs1 ZINC000430743919 567032788 /nfs/dbraw/zinc/03/27/88/567032788.db2.gz SNYCQYZYJDIGSB-OAHLLOKOSA-N 2 2 378.929 3.040 20 0 GGADLP C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1c[nH+]ccc1-n1cc[nH+]c1 ZINC000545269549 567034405 /nfs/dbraw/zinc/03/44/05/567034405.db2.gz HNFHSKRUHALZBU-LBPRGKRZSA-N 2 2 387.237 3.436 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000430904326 567038697 /nfs/dbraw/zinc/03/86/97/567038697.db2.gz QLAZVRCQGKCVAQ-INIZCTEOSA-N 2 2 382.346 3.029 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000430904327 567039231 /nfs/dbraw/zinc/03/92/31/567039231.db2.gz QLAZVRCQGKCVAQ-MRXNPFEDSA-N 2 2 382.346 3.029 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000430904245 567039284 /nfs/dbraw/zinc/03/92/84/567039284.db2.gz PVNKHVFZDHCOQR-PKOBYXMFSA-N 2 2 394.357 3.044 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccc4c(c3)nnn4C)[nH+]c12 ZINC000545349366 567042296 /nfs/dbraw/zinc/04/22/96/567042296.db2.gz LHEOBQYZWGVHFR-UHFFFAOYSA-N 2 2 399.296 3.019 20 0 GGADLP Brc1cccc(N2CC[C@@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000657329002 567046466 /nfs/dbraw/zinc/04/64/66/567046466.db2.gz GVGYHBWYDLNJJK-AWEZNQCLSA-N 2 2 375.314 3.208 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657342118 567048546 /nfs/dbraw/zinc/04/85/46/567048546.db2.gz GQFRJXMHUWCVPQ-UHFFFAOYSA-N 2 2 377.286 3.019 20 0 GGADLP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000431065658 567050697 /nfs/dbraw/zinc/05/06/97/567050697.db2.gz OQKCPFVHZKCEOJ-GJZGRUSLSA-N 2 2 379.302 3.011 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000584520997 567051134 /nfs/dbraw/zinc/05/11/34/567051134.db2.gz ZJDOGGKCRHPXDK-UHFFFAOYSA-N 2 2 383.945 3.407 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](C)CCC[NH+](C)Cc1ccco1 ZINC000584520997 567051139 /nfs/dbraw/zinc/05/11/39/567051139.db2.gz ZJDOGGKCRHPXDK-UHFFFAOYSA-N 2 2 383.945 3.407 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+](C)CCC[N@H+](C)Cc1ccco1 ZINC000584520997 567051142 /nfs/dbraw/zinc/05/11/42/567051142.db2.gz ZJDOGGKCRHPXDK-UHFFFAOYSA-N 2 2 383.945 3.407 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+](C)CCC[N@@H+](C)Cc1ccco1 ZINC000584520997 567051148 /nfs/dbraw/zinc/05/11/48/567051148.db2.gz ZJDOGGKCRHPXDK-UHFFFAOYSA-N 2 2 383.945 3.407 20 0 GGADLP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1(c2ccc(Br)cc2)CC1 ZINC000431072121 567051889 /nfs/dbraw/zinc/05/18/89/567051889.db2.gz XIOBGPVYLBGIEC-UHFFFAOYSA-N 2 2 379.302 3.190 20 0 GGADLP C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)CC1(c2ccc(Br)cc2)CC1 ZINC000431072121 567051894 /nfs/dbraw/zinc/05/18/94/567051894.db2.gz XIOBGPVYLBGIEC-UHFFFAOYSA-N 2 2 379.302 3.190 20 0 GGADLP CCC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CC[NH2+]CC1 ZINC000431076094 567052085 /nfs/dbraw/zinc/05/20/85/567052085.db2.gz IMUOEERMGIQORM-UHFFFAOYSA-N 2 2 390.272 3.130 20 0 GGADLP CCC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CC[NH2+]CC1 ZINC000431076094 567052097 /nfs/dbraw/zinc/05/20/97/567052097.db2.gz IMUOEERMGIQORM-UHFFFAOYSA-N 2 2 390.272 3.130 20 0 GGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000495181178 567052021 /nfs/dbraw/zinc/05/20/21/567052021.db2.gz CMBPOHXHNLYACV-YJBOKZPZSA-N 2 2 375.314 3.161 20 0 GGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000495181178 567052027 /nfs/dbraw/zinc/05/20/27/567052027.db2.gz CMBPOHXHNLYACV-YJBOKZPZSA-N 2 2 375.314 3.161 20 0 GGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000495181178 567052029 /nfs/dbraw/zinc/05/20/29/567052029.db2.gz CMBPOHXHNLYACV-YJBOKZPZSA-N 2 2 375.314 3.161 20 0 GGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000495181178 567052031 /nfs/dbraw/zinc/05/20/31/567052031.db2.gz CMBPOHXHNLYACV-YJBOKZPZSA-N 2 2 375.314 3.161 20 0 GGADLP O[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)C[NH+]1CCCC1 ZINC000521319866 567054570 /nfs/dbraw/zinc/05/45/70/567054570.db2.gz RFCKPRJWIHZKSL-CYBMUJFWSA-N 2 2 381.236 3.014 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453107034 567054673 /nfs/dbraw/zinc/05/46/73/567054673.db2.gz HYKVCNGUELLGGI-MSOLQXFVSA-N 2 2 394.357 3.146 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453107034 567054678 /nfs/dbraw/zinc/05/46/78/567054678.db2.gz HYKVCNGUELLGGI-MSOLQXFVSA-N 2 2 394.357 3.146 20 0 GGADLP CCCn1nccc1C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000657434766 567055436 /nfs/dbraw/zinc/05/54/36/567055436.db2.gz HIBPCEARNFDCHT-UHFFFAOYSA-N 2 2 376.302 3.344 20 0 GGADLP CCC[NH+]1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000545518247 567058008 /nfs/dbraw/zinc/05/80/08/567058008.db2.gz RCDNCKUSMQXBPK-UHFFFAOYSA-N 3 2 379.346 3.412 20 0 GGADLP COC(=O)c1occc1C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545554684 567062038 /nfs/dbraw/zinc/06/20/38/567062038.db2.gz FFRWTADPGYXJIP-UHFFFAOYSA-N 2 2 392.253 3.117 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453252831 567068020 /nfs/dbraw/zinc/06/80/20/567068020.db2.gz CJJIDPOVDBNTHY-RHSMWYFYSA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453252831 567068023 /nfs/dbraw/zinc/06/80/23/567068023.db2.gz CJJIDPOVDBNTHY-RHSMWYFYSA-N 2 2 383.330 3.099 20 0 GGADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000682689859 567068108 /nfs/dbraw/zinc/06/81/08/567068108.db2.gz JIBBMSYHYUFJJA-KZNAEPCWSA-N 2 2 394.357 3.185 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCSc1ccccc1Cl ZINC000495831077 567068288 /nfs/dbraw/zinc/06/82/88/567068288.db2.gz DROMYWCYYGFIPW-UHFFFAOYSA-N 2 2 383.989 3.307 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCSc1ccccc1Cl ZINC000495831077 567068293 /nfs/dbraw/zinc/06/82/93/567068293.db2.gz DROMYWCYYGFIPW-UHFFFAOYSA-N 2 2 383.989 3.307 20 0 GGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000565451485 567068837 /nfs/dbraw/zinc/06/88/37/567068837.db2.gz RFURLRQAEBTOCP-LLVKDONJSA-N 2 2 394.247 3.389 20 0 GGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000565451485 567068846 /nfs/dbraw/zinc/06/88/46/567068846.db2.gz RFURLRQAEBTOCP-LLVKDONJSA-N 2 2 394.247 3.389 20 0 GGADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC000565471878 567070202 /nfs/dbraw/zinc/07/02/02/567070202.db2.gz RSWNOVOBDBMSAY-PBHICJAKSA-N 2 2 386.323 3.150 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)CCC2 ZINC000565655102 567086813 /nfs/dbraw/zinc/08/68/13/567086813.db2.gz QITXBLLFVUTRDD-AWEZNQCLSA-N 2 2 391.313 3.450 20 0 GGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751107 567092919 /nfs/dbraw/zinc/09/29/19/567092919.db2.gz FXTQOWBJOOMVFL-GUYCJALGSA-N 2 2 385.321 3.362 20 0 GGADLP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000657753114 567093191 /nfs/dbraw/zinc/09/31/91/567093191.db2.gz UGEOXTYCXSKBQS-IAGOWNOFSA-N 2 2 379.342 3.149 20 0 GGADLP Cc1cc(Br)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000453588039 567094606 /nfs/dbraw/zinc/09/46/06/567094606.db2.gz UXCDXAHPGIFLJC-UHFFFAOYSA-N 2 2 395.370 3.256 20 0 GGADLP COc1ccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)cc1O ZINC000546056731 567100532 /nfs/dbraw/zinc/10/05/32/567100532.db2.gz RAAOFKLLVFIRLQ-UHFFFAOYSA-N 2 2 390.281 3.452 20 0 GGADLP CC[C@@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)[NH+](C)C ZINC000614440098 567111966 /nfs/dbraw/zinc/11/19/66/567111966.db2.gz FTNMEAHDLZUNLZ-KRWDZBQOSA-N 2 2 393.329 3.015 20 0 GGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000474012502 567124290 /nfs/dbraw/zinc/12/42/90/567124290.db2.gz SFXIWUDRWXZNKY-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000474012502 567124297 /nfs/dbraw/zinc/12/42/97/567124297.db2.gz SFXIWUDRWXZNKY-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000658295315 567132870 /nfs/dbraw/zinc/13/28/70/567132870.db2.gz RQHPYBFFLOVFHJ-DZGCQCFKSA-N 2 2 383.330 3.362 20 0 GGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296319 567134263 /nfs/dbraw/zinc/13/42/63/567134263.db2.gz YTSXRUOKXQKNRO-XJKSGUPXSA-N 2 2 385.321 3.362 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432236425 567138840 /nfs/dbraw/zinc/13/88/40/567138840.db2.gz UMFFLTCBDPCITB-CQSZACIVSA-N 2 2 376.303 3.165 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(F)c(Cl)c1Cl ZINC000432236424 567139014 /nfs/dbraw/zinc/13/90/14/567139014.db2.gz UMFFLTCBDPCITB-AWEZNQCLSA-N 2 2 376.303 3.165 20 0 GGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)n1 ZINC000566245256 567142411 /nfs/dbraw/zinc/14/24/11/567142411.db2.gz GMJHWNYXRDNODY-UHFFFAOYSA-N 2 2 395.301 3.069 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000546619979 567142780 /nfs/dbraw/zinc/14/27/80/567142780.db2.gz TXUOBGYXLIEJPZ-GOSISDBHSA-N 2 2 395.341 3.444 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2cc(Cl)ccc2s1 ZINC000454150288 567147926 /nfs/dbraw/zinc/14/79/26/567147926.db2.gz QRDJZSJGEPQVOO-UHFFFAOYSA-N 2 2 380.945 3.048 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc2cc(Cl)ccc2s1 ZINC000454150288 567147933 /nfs/dbraw/zinc/14/79/33/567147933.db2.gz QRDJZSJGEPQVOO-UHFFFAOYSA-N 2 2 380.945 3.048 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(Br)c1 ZINC000589206253 567166194 /nfs/dbraw/zinc/16/61/94/567166194.db2.gz CKXHUFILCMKJTM-RDJZCZTQSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(Br)c1 ZINC000589206253 567166204 /nfs/dbraw/zinc/16/62/04/567166204.db2.gz CKXHUFILCMKJTM-RDJZCZTQSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000589206253 567166211 /nfs/dbraw/zinc/16/62/11/567166211.db2.gz CKXHUFILCMKJTM-RDJZCZTQSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(Br)c1 ZINC000589206253 567166217 /nfs/dbraw/zinc/16/62/17/567166217.db2.gz CKXHUFILCMKJTM-RDJZCZTQSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(Br)c1 ZINC000589206256 567167289 /nfs/dbraw/zinc/16/72/89/567167289.db2.gz CKXHUFILCMKJTM-WBVHZDCISA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(Br)c1 ZINC000589206256 567167297 /nfs/dbraw/zinc/16/72/97/567167297.db2.gz CKXHUFILCMKJTM-WBVHZDCISA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(Br)c1 ZINC000589206256 567167300 /nfs/dbraw/zinc/16/73/00/567167300.db2.gz CKXHUFILCMKJTM-WBVHZDCISA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(Br)c1 ZINC000589206256 567167305 /nfs/dbraw/zinc/16/73/05/567167305.db2.gz CKXHUFILCMKJTM-WBVHZDCISA-N 2 2 381.314 3.152 20 0 GGADLP CN(C(=O)Cc1cccc(Cl)c1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684048791 567173334 /nfs/dbraw/zinc/17/33/34/567173334.db2.gz GPOCNRQEBMYSDH-INIZCTEOSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1cccc(Cl)c1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684048791 567173342 /nfs/dbraw/zinc/17/33/42/567173342.db2.gz GPOCNRQEBMYSDH-INIZCTEOSA-N 2 2 384.351 3.163 20 0 GGADLP C[C@@H](CCc1ccc(I)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000474462708 567175258 /nfs/dbraw/zinc/17/52/58/567175258.db2.gz TZSUMEVFUBSPRL-AWEZNQCLSA-N 2 2 383.277 3.489 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000474462840 567175452 /nfs/dbraw/zinc/17/54/52/567175452.db2.gz VMTRLKMDKMGTCL-JTQLQIEISA-N 2 2 392.231 3.143 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000474462840 567175457 /nfs/dbraw/zinc/17/54/57/567175457.db2.gz VMTRLKMDKMGTCL-JTQLQIEISA-N 2 2 392.231 3.143 20 0 GGADLP OC1CC[NH+](CCC[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474605343 567182414 /nfs/dbraw/zinc/18/24/14/567182414.db2.gz ZVVRMCJOKHFSRS-UHFFFAOYSA-N 2 2 395.263 3.404 20 0 GGADLP C[C@@H](C[NH2+]Cc1c(F)ccc(I)c1F)Cn1cc[nH+]c1 ZINC000474606201 567183024 /nfs/dbraw/zinc/18/30/24/567183024.db2.gz LBARQUOCNCYWOJ-JTQLQIEISA-N 2 2 391.203 3.192 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000566738883 567185188 /nfs/dbraw/zinc/18/51/88/567185188.db2.gz ZERAIMANZFWIMQ-YXWQFLTLSA-N 2 2 380.330 3.144 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000566738883 567185199 /nfs/dbraw/zinc/18/51/99/567185199.db2.gz ZERAIMANZFWIMQ-YXWQFLTLSA-N 2 2 380.330 3.144 20 0 GGADLP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000566736675 567185444 /nfs/dbraw/zinc/18/54/44/567185444.db2.gz LKFQOEOLCQPICX-CRAIPNDOSA-N 2 2 394.357 3.173 20 0 GGADLP C[C@@H](O)C[NH+]1CCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000432833317 567196049 /nfs/dbraw/zinc/19/60/49/567196049.db2.gz WBEUGZWAIYWNAY-CYBMUJFWSA-N 2 2 390.325 3.378 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(I)c2F)CC[N@@H+]1C ZINC000474817413 567202144 /nfs/dbraw/zinc/20/21/44/567202144.db2.gz OGYVTHAGXRMEFP-NXEZZACHSA-N 2 2 380.220 3.142 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2c(F)ccc(I)c2F)CC[N@H+]1C ZINC000474817413 567202148 /nfs/dbraw/zinc/20/21/48/567202148.db2.gz OGYVTHAGXRMEFP-NXEZZACHSA-N 2 2 380.220 3.142 20 0 GGADLP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000474922221 567210001 /nfs/dbraw/zinc/21/00/01/567210001.db2.gz GMUIHYANZAVXNF-BBRMVZONSA-N 2 2 395.288 3.413 20 0 GGADLP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474938207 567211340 /nfs/dbraw/zinc/21/13/40/567211340.db2.gz HNOJQSASQDQHQR-UHFFFAOYSA-N 2 2 395.263 3.404 20 0 GGADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000567094394 567216806 /nfs/dbraw/zinc/21/68/06/567216806.db2.gz DRGWODQVMUHMFZ-UHFFFAOYSA-N 2 2 395.263 3.404 20 0 GGADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@H](C)c2ccc(Br)cc2)CC1 ZINC000499060280 567221153 /nfs/dbraw/zinc/22/11/53/567221153.db2.gz VCWRTTNSCXDLRJ-OAHLLOKOSA-N 2 2 377.330 3.333 20 0 GGADLP COc1cncc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000567142216 567221788 /nfs/dbraw/zinc/22/17/88/567221788.db2.gz IYMLXSBKOKNIKE-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP COc1cncc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000567142216 567221790 /nfs/dbraw/zinc/22/17/90/567221790.db2.gz IYMLXSBKOKNIKE-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000524944336 567222345 /nfs/dbraw/zinc/22/23/45/567222345.db2.gz TXUFHUCFWCCJIP-LJQANCHMSA-N 2 2 375.310 3.176 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccccc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000524944336 567222348 /nfs/dbraw/zinc/22/23/48/567222348.db2.gz TXUFHUCFWCCJIP-LJQANCHMSA-N 2 2 375.310 3.176 20 0 GGADLP O[C@]1(C[NH2+]Cc2csc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000524945948 567222454 /nfs/dbraw/zinc/22/24/54/567222454.db2.gz HFCHWAMOCBAOOG-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@]1(C[NH2+]Cc2csc(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524945948 567222461 /nfs/dbraw/zinc/22/24/61/567222461.db2.gz HFCHWAMOCBAOOG-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659882208 567234196 /nfs/dbraw/zinc/23/41/96/567234196.db2.gz FCTCUAXPHOIFFV-ZDUSSCGKSA-N 2 2 388.269 3.042 20 0 GGADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659882208 567234202 /nfs/dbraw/zinc/23/42/02/567234202.db2.gz FCTCUAXPHOIFFV-ZDUSSCGKSA-N 2 2 388.269 3.042 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)C1 ZINC000660081105 567258368 /nfs/dbraw/zinc/25/83/68/567258368.db2.gz CVRQZSIMDACJLG-WBMJQRKESA-N 2 2 393.329 3.170 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)C1 ZINC000660081105 567258373 /nfs/dbraw/zinc/25/83/73/567258373.db2.gz CVRQZSIMDACJLG-WBMJQRKESA-N 2 2 393.329 3.170 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)C1 ZINC000660081105 567258390 /nfs/dbraw/zinc/25/83/90/567258390.db2.gz CVRQZSIMDACJLG-WBMJQRKESA-N 2 2 393.329 3.170 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)C1 ZINC000660081104 567258583 /nfs/dbraw/zinc/25/85/83/567258583.db2.gz CVRQZSIMDACJLG-MLGOLLRUSA-N 2 2 393.329 3.170 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)C1 ZINC000660081104 567258590 /nfs/dbraw/zinc/25/85/90/567258590.db2.gz CVRQZSIMDACJLG-MLGOLLRUSA-N 2 2 393.329 3.170 20 0 GGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@H](C)C1 ZINC000660081104 567258603 /nfs/dbraw/zinc/25/86/03/567258603.db2.gz CVRQZSIMDACJLG-MLGOLLRUSA-N 2 2 393.329 3.170 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1F ZINC000591083122 567263719 /nfs/dbraw/zinc/26/37/19/567263719.db2.gz OZFGIHPDBQRQOD-CYBMUJFWSA-N 2 2 381.249 3.060 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1F ZINC000591083122 567263726 /nfs/dbraw/zinc/26/37/26/567263726.db2.gz OZFGIHPDBQRQOD-CYBMUJFWSA-N 2 2 381.249 3.060 20 0 GGADLP Brc1ccc2oc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)nc2c1 ZINC000638669568 567264028 /nfs/dbraw/zinc/26/40/28/567264028.db2.gz SPJPKPAXWKEORQ-ZDUSSCGKSA-N 2 2 394.313 3.181 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](n3cc[nH+]c3)C1)OCCO2 ZINC000591083484 567264395 /nfs/dbraw/zinc/26/43/95/567264395.db2.gz WPLNKRZZYVUTND-CQSZACIVSA-N 2 2 378.270 3.254 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CCC[C@@H](n3cc[nH+]c3)C1)OCCO2 ZINC000591083484 567264400 /nfs/dbraw/zinc/26/44/00/567264400.db2.gz WPLNKRZZYVUTND-CQSZACIVSA-N 2 2 378.270 3.254 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000475632845 567264595 /nfs/dbraw/zinc/26/45/95/567264595.db2.gz GOFOTBADRAUQIU-MRXNPFEDSA-N 2 2 380.838 3.093 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000591083197 567264786 /nfs/dbraw/zinc/26/47/86/567264786.db2.gz QTLYORKLYRRBFP-YOEHRIQHSA-N 2 2 391.313 3.160 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000591083197 567264792 /nfs/dbraw/zinc/26/47/92/567264792.db2.gz QTLYORKLYRRBFP-YOEHRIQHSA-N 2 2 391.313 3.160 20 0 GGADLP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000567707585 567270829 /nfs/dbraw/zinc/27/08/29/567270829.db2.gz YWRZWUJOIPMHSH-RDTXWAMCSA-N 2 2 392.341 3.353 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000567707585 567270835 /nfs/dbraw/zinc/27/08/35/567270835.db2.gz YWRZWUJOIPMHSH-RDTXWAMCSA-N 2 2 392.341 3.353 20 0 GGADLP COc1ccc(Br)c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000685457676 567275172 /nfs/dbraw/zinc/27/51/72/567275172.db2.gz IYITXNMUYKEADS-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(Br)c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000685457676 567275177 /nfs/dbraw/zinc/27/51/77/567275177.db2.gz IYITXNMUYKEADS-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP Cc1cc(C)c(Br)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638985613 567281319 /nfs/dbraw/zinc/28/13/19/567281319.db2.gz MCMJREZJAIGZRB-UHFFFAOYSA-N 2 2 389.297 3.123 20 0 GGADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(Br)cc1Cl ZINC000638987342 567281607 /nfs/dbraw/zinc/28/16/07/567281607.db2.gz FQDDUZGPXOEWAY-UHFFFAOYSA-N 2 2 395.688 3.159 20 0 GGADLP C[C@@H](NC(=O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000499909745 567282716 /nfs/dbraw/zinc/28/27/16/567282716.db2.gz SARDQOMSSBZUPQ-OAHLLOKOSA-N 2 2 382.346 3.044 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000499909745 567282722 /nfs/dbraw/zinc/28/27/22/567282722.db2.gz SARDQOMSSBZUPQ-OAHLLOKOSA-N 2 2 382.346 3.044 20 0 GGADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc[nH+]cc1Br ZINC000548153803 567283121 /nfs/dbraw/zinc/28/31/21/567283121.db2.gz UZWTWVUSBNDDIM-UHFFFAOYSA-N 3 2 395.389 3.477 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894770 567288759 /nfs/dbraw/zinc/28/87/59/567288759.db2.gz SPDKQZXOOORRQN-QWHCGFSZSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894770 567288766 /nfs/dbraw/zinc/28/87/66/567288766.db2.gz SPDKQZXOOORRQN-QWHCGFSZSA-N 2 2 386.323 3.008 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000568165742 567309446 /nfs/dbraw/zinc/30/94/46/567309446.db2.gz VZOXFRRMTXIXHQ-CYBMUJFWSA-N 2 2 392.297 3.333 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000568165742 567309455 /nfs/dbraw/zinc/30/94/55/567309455.db2.gz VZOXFRRMTXIXHQ-CYBMUJFWSA-N 2 2 392.297 3.333 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655172 567316587 /nfs/dbraw/zinc/31/65/87/567316587.db2.gz LDQJGFYLUBHAQY-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655172 567316592 /nfs/dbraw/zinc/31/65/92/567316592.db2.gz LDQJGFYLUBHAQY-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655172 567316597 /nfs/dbraw/zinc/31/65/97/567316597.db2.gz LDQJGFYLUBHAQY-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655172 567316606 /nfs/dbraw/zinc/31/66/06/567316606.db2.gz LDQJGFYLUBHAQY-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2c(F)ccc(Br)c2F)CCCO1 ZINC000500414188 567319275 /nfs/dbraw/zinc/31/92/75/567319275.db2.gz GEDNUSGXLOGMNI-LBPRGKRZSA-N 2 2 377.273 3.318 20 0 GGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c(F)ccc(Br)c2F)CCCO1 ZINC000500414188 567319280 /nfs/dbraw/zinc/31/92/80/567319280.db2.gz GEDNUSGXLOGMNI-LBPRGKRZSA-N 2 2 377.273 3.318 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1O ZINC000435044345 567338967 /nfs/dbraw/zinc/33/89/67/567338967.db2.gz FUNGTWMULSJTQA-CQSZACIVSA-N 2 2 379.254 3.212 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1O ZINC000435044345 567338974 /nfs/dbraw/zinc/33/89/74/567338974.db2.gz FUNGTWMULSJTQA-CQSZACIVSA-N 2 2 379.254 3.212 20 0 GGADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ncc(Br)cc1F ZINC000527648592 567354216 /nfs/dbraw/zinc/35/42/16/567354216.db2.gz YPUGXZVZTWAXDC-UHFFFAOYSA-N 2 2 382.277 3.213 20 0 GGADLP Cc1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000500982830 567357366 /nfs/dbraw/zinc/35/73/66/567357366.db2.gz YXFPNFGXWWFVLH-MRXNPFEDSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000500982830 567357371 /nfs/dbraw/zinc/35/73/71/567357371.db2.gz YXFPNFGXWWFVLH-MRXNPFEDSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000500982830 567357377 /nfs/dbraw/zinc/35/73/77/567357377.db2.gz YXFPNFGXWWFVLH-MRXNPFEDSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000500982830 567357383 /nfs/dbraw/zinc/35/73/83/567357383.db2.gz YXFPNFGXWWFVLH-MRXNPFEDSA-N 2 2 380.374 3.358 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ncc(Br)cc2F)[C@@H](C)C1 ZINC000527663085 567357679 /nfs/dbraw/zinc/35/76/79/567357679.db2.gz VSZPMEYVAILRKC-XJKSGUPXSA-N 2 2 388.325 3.210 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ncc(Br)cc2F)[C@@H](C)C1 ZINC000527663085 567357684 /nfs/dbraw/zinc/35/76/84/567357684.db2.gz VSZPMEYVAILRKC-XJKSGUPXSA-N 2 2 388.325 3.210 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ncc(Br)cc2F)[C@H](C)C1 ZINC000527663083 567358474 /nfs/dbraw/zinc/35/84/74/567358474.db2.gz VSZPMEYVAILRKC-CJNGLKHVSA-N 2 2 388.325 3.210 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ncc(Br)cc2F)[C@H](C)C1 ZINC000527663083 567358483 /nfs/dbraw/zinc/35/84/83/567358483.db2.gz VSZPMEYVAILRKC-CJNGLKHVSA-N 2 2 388.325 3.210 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000501006173 567358803 /nfs/dbraw/zinc/35/88/03/567358803.db2.gz FVGIQUDLXAVIRG-UHFFFAOYSA-N 2 2 398.364 3.362 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cc(Br)cc(F)c3C2)CC1 ZINC000501006173 567358807 /nfs/dbraw/zinc/35/88/07/567358807.db2.gz FVGIQUDLXAVIRG-UHFFFAOYSA-N 2 2 398.364 3.362 20 0 GGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435386119 567359002 /nfs/dbraw/zinc/35/90/02/567359002.db2.gz SVWMOJFORBIRSL-OAHLLOKOSA-N 2 2 390.325 3.464 20 0 GGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435386119 567359010 /nfs/dbraw/zinc/35/90/10/567359010.db2.gz SVWMOJFORBIRSL-OAHLLOKOSA-N 2 2 390.325 3.464 20 0 GGADLP Brc1cncc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435391938 567359503 /nfs/dbraw/zinc/35/95/03/567359503.db2.gz UWWTZYYTDDLCJS-GOSISDBHSA-N 2 2 375.314 3.383 20 0 GGADLP Brc1cncc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435391938 567359509 /nfs/dbraw/zinc/35/95/09/567359509.db2.gz UWWTZYYTDDLCJS-GOSISDBHSA-N 2 2 375.314 3.383 20 0 GGADLP CCN(CC)c1ncc(C[N@@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)s1 ZINC000435423378 567361421 /nfs/dbraw/zinc/36/14/21/567361421.db2.gz PZOZSEGNJOCPSN-OAHLLOKOSA-N 2 2 379.599 3.366 20 0 GGADLP CCN(CC)c1ncc(C[N@H+](Cc2scnc2C)C[C@@H]2CC[NH2+]C2)s1 ZINC000435423378 567361429 /nfs/dbraw/zinc/36/14/29/567361429.db2.gz PZOZSEGNJOCPSN-OAHLLOKOSA-N 2 2 379.599 3.366 20 0 GGADLP CCN(CC)c1ncc(C[N@@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)s1 ZINC000435423377 567361738 /nfs/dbraw/zinc/36/17/38/567361738.db2.gz PZOZSEGNJOCPSN-HNNXBMFYSA-N 2 2 379.599 3.366 20 0 GGADLP CCN(CC)c1ncc(C[N@H+](Cc2scnc2C)C[C@H]2CC[NH2+]C2)s1 ZINC000435423377 567361745 /nfs/dbraw/zinc/36/17/45/567361745.db2.gz PZOZSEGNJOCPSN-HNNXBMFYSA-N 2 2 379.599 3.366 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1ccccc1Br)[C@H]1CC12CC[NH2+]CC2 ZINC000435430383 567362393 /nfs/dbraw/zinc/36/23/93/567362393.db2.gz AYZPEMWMUPDROL-KRWDZBQOSA-N 2 2 389.341 3.327 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1csc(Br)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435429635 567362719 /nfs/dbraw/zinc/36/27/19/567362719.db2.gz YJPGDKOKSJXRMN-CQSZACIVSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1ccccc1Br)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430384 567362807 /nfs/dbraw/zinc/36/28/07/567362807.db2.gz AYZPEMWMUPDROL-QGZVFWFLSA-N 2 2 389.341 3.327 20 0 GGADLP CC(C)(C[NH2+]Cc1cn(-c2ccccc2Br)nn1)C[NH+]1CCCC1 ZINC000568936537 567367280 /nfs/dbraw/zinc/36/72/80/567367280.db2.gz QNAZBYPXVUEXGH-UHFFFAOYSA-N 2 2 392.345 3.241 20 0 GGADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527716232 567367761 /nfs/dbraw/zinc/36/77/61/567367761.db2.gz JMVVFYZSGPSJCP-UHFFFAOYSA-N 2 2 389.769 3.003 20 0 GGADLP Fc1ccc(Br)c(F)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000501142730 567369854 /nfs/dbraw/zinc/36/98/54/567369854.db2.gz RALQNVMDEQRAOC-UHFFFAOYSA-N 2 2 389.284 3.272 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527856140 567379944 /nfs/dbraw/zinc/37/99/44/567379944.db2.gz VZHWDJYMQCEBFG-NSHDSACASA-N 2 2 377.273 3.489 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)c(Br)cc2F)CC1 ZINC000527856139 567380108 /nfs/dbraw/zinc/38/01/08/567380108.db2.gz VZHWDJYMQCEBFG-LLVKDONJSA-N 2 2 377.273 3.489 20 0 GGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2c(F)ccc(Br)c2F)C[C@H](C)O1 ZINC000501418277 567387501 /nfs/dbraw/zinc/38/75/01/567387501.db2.gz FKQILXGXDBSFAO-RYUDHWBXSA-N 2 2 377.273 3.316 20 0 GGADLP COCCC[NH+]1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501469183 567391812 /nfs/dbraw/zinc/39/18/12/567391812.db2.gz URNXDJITPGWXNV-UHFFFAOYSA-N 2 2 377.273 3.318 20 0 GGADLP Brc1ccc2[nH+]c(Cn3cc(C[NH2+]C4CCCCC4)nn3)cn2c1 ZINC000640959013 567404412 /nfs/dbraw/zinc/40/44/12/567404412.db2.gz VHGWEVJFRLYZEZ-UHFFFAOYSA-N 2 2 389.301 3.159 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549840602 567413355 /nfs/dbraw/zinc/41/33/55/567413355.db2.gz LDFAWDOPDZSITH-GOSISDBHSA-N 2 2 377.330 3.254 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000549840602 567413362 /nfs/dbraw/zinc/41/33/62/567413362.db2.gz LDFAWDOPDZSITH-GOSISDBHSA-N 2 2 377.330 3.254 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000549840602 567413367 /nfs/dbraw/zinc/41/33/67/567413367.db2.gz LDFAWDOPDZSITH-GOSISDBHSA-N 2 2 377.330 3.254 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000549840602 567413370 /nfs/dbraw/zinc/41/33/70/567413370.db2.gz LDFAWDOPDZSITH-GOSISDBHSA-N 2 2 377.330 3.254 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000569577384 567415303 /nfs/dbraw/zinc/41/53/03/567415303.db2.gz NFOZQNYTIQTZBY-UTUOFQBUSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000569577384 567415309 /nfs/dbraw/zinc/41/53/09/567415309.db2.gz NFOZQNYTIQTZBY-UTUOFQBUSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291461 567425262 /nfs/dbraw/zinc/42/52/62/567425262.db2.gz STTPWUJUYNHNPS-HOCLYGCPSA-N 2 2 394.357 3.488 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291460 567426014 /nfs/dbraw/zinc/42/60/14/567426014.db2.gz STTPWUJUYNHNPS-GOEBONIOSA-N 2 2 394.357 3.488 20 0 GGADLP C[NH2+][C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(Cl)c1Cl ZINC000662406436 567433550 /nfs/dbraw/zinc/43/35/50/567433550.db2.gz ZCQXVEQUYPNDHL-KRWDZBQOSA-N 2 2 398.359 3.490 20 0 GGADLP C[NH2+][C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(Cl)c1Cl ZINC000662406436 567433555 /nfs/dbraw/zinc/43/35/55/567433555.db2.gz ZCQXVEQUYPNDHL-KRWDZBQOSA-N 2 2 398.359 3.490 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238875 567435268 /nfs/dbraw/zinc/43/52/68/567435268.db2.gz NYCLIRPBXYDMDC-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238875 567435273 /nfs/dbraw/zinc/43/52/73/567435273.db2.gz NYCLIRPBXYDMDC-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238875 567435277 /nfs/dbraw/zinc/43/52/77/567435277.db2.gz NYCLIRPBXYDMDC-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238875 567435282 /nfs/dbraw/zinc/43/52/82/567435282.db2.gz NYCLIRPBXYDMDC-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000550259903 567437048 /nfs/dbraw/zinc/43/70/48/567437048.db2.gz YLFJGAYWEZRLGC-JTQLQIEISA-N 2 2 394.298 3.284 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000550259903 567437052 /nfs/dbraw/zinc/43/70/52/567437052.db2.gz YLFJGAYWEZRLGC-JTQLQIEISA-N 2 2 394.298 3.284 20 0 GGADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569970250 567447825 /nfs/dbraw/zinc/44/78/25/567447825.db2.gz VZHJHPOUQQHQSM-QAPCUYQASA-N 2 2 394.357 3.044 20 0 GGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009045 567451182 /nfs/dbraw/zinc/45/11/82/567451182.db2.gz MXIIVIZYSWUIPF-HOCLYGCPSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009045 567451190 /nfs/dbraw/zinc/45/11/90/567451190.db2.gz MXIIVIZYSWUIPF-HOCLYGCPSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009045 567451194 /nfs/dbraw/zinc/45/11/94/567451194.db2.gz MXIIVIZYSWUIPF-HOCLYGCPSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009045 567451201 /nfs/dbraw/zinc/45/12/01/567451201.db2.gz MXIIVIZYSWUIPF-HOCLYGCPSA-N 2 2 381.314 3.136 20 0 GGADLP CN(CC[NH+]1CCCC1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503030252 567465470 /nfs/dbraw/zinc/46/54/70/567465470.db2.gz GKBQAIWEXAVJOM-GOSISDBHSA-N 2 2 394.357 3.140 20 0 GGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000503055798 567466913 /nfs/dbraw/zinc/46/69/13/567466913.db2.gz YHVPMRXVKYHACI-INIZCTEOSA-N 2 2 384.337 3.190 20 0 GGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000503055798 567466920 /nfs/dbraw/zinc/46/69/20/567466920.db2.gz YHVPMRXVKYHACI-INIZCTEOSA-N 2 2 384.337 3.190 20 0 GGADLP OCC1([NH2+]CC2CC2)CC[NH+](CCCc2ccccc2Br)CC1 ZINC000570216281 567468159 /nfs/dbraw/zinc/46/81/59/567468159.db2.gz PRZJTGIVBLOBLX-UHFFFAOYSA-N 2 2 381.358 3.208 20 0 GGADLP C[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000570292077 567472941 /nfs/dbraw/zinc/47/29/41/567472941.db2.gz PXOBTVJLGFWVPA-GOSISDBHSA-N 2 2 377.941 3.179 20 0 GGADLP C[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000570292077 567472949 /nfs/dbraw/zinc/47/29/49/567472949.db2.gz PXOBTVJLGFWVPA-GOSISDBHSA-N 2 2 377.941 3.179 20 0 GGADLP CC(C)[N@H+](C)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503232172 567474980 /nfs/dbraw/zinc/47/49/80/567474980.db2.gz NWQZVRBFCJXLMQ-KRWDZBQOSA-N 2 2 382.346 3.042 20 0 GGADLP CC(C)[N@@H+](C)CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503232172 567474983 /nfs/dbraw/zinc/47/49/83/567474983.db2.gz NWQZVRBFCJXLMQ-KRWDZBQOSA-N 2 2 382.346 3.042 20 0 GGADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1cccs1 ZINC000619735261 567477651 /nfs/dbraw/zinc/47/76/51/567477651.db2.gz UUANTEXHYRVURN-UHFFFAOYSA-N 2 2 377.579 3.364 20 0 GGADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1cccs1 ZINC000619735261 567477654 /nfs/dbraw/zinc/47/76/54/567477654.db2.gz UUANTEXHYRVURN-UHFFFAOYSA-N 2 2 377.579 3.364 20 0 GGADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503352707 567481765 /nfs/dbraw/zinc/48/17/65/567481765.db2.gz DIMGPKXHMVGJFY-MSOLQXFVSA-N 2 2 394.357 3.187 20 0 GGADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503352707 567481768 /nfs/dbraw/zinc/48/17/68/567481768.db2.gz DIMGPKXHMVGJFY-MSOLQXFVSA-N 2 2 394.357 3.187 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H](C)C(=O)OC(C)(C)C)c[nH+]c12 ZINC000594515342 567484086 /nfs/dbraw/zinc/48/40/86/567484086.db2.gz NZQJKTORCRJKAK-LBPRGKRZSA-N 2 2 382.302 3.473 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000663303319 567493282 /nfs/dbraw/zinc/49/32/82/567493282.db2.gz FURDHZQXODGVCC-GXTWGEPZSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000663303320 567494199 /nfs/dbraw/zinc/49/41/99/567494199.db2.gz FURDHZQXODGVCC-JSGCOSHPSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000663305274 567495540 /nfs/dbraw/zinc/49/55/40/567495540.db2.gz WSCAVHLASKNMMO-WFASDCNBSA-N 2 2 386.323 3.163 20 0 GGADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Br)cc1C(F)(F)F ZINC000479058562 567499578 /nfs/dbraw/zinc/49/95/78/567499578.db2.gz KGSIABIQJIKUDA-SMDDNHRTSA-N 2 2 383.252 3.431 20 0 GGADLP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c2cc(Br)ccc21 ZINC000479084488 567501658 /nfs/dbraw/zinc/50/16/58/567501658.db2.gz YEYFKIATFSJKGO-DLBZAZTESA-N 2 2 394.357 3.101 20 0 GGADLP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c2cc(Br)ccc21 ZINC000479084488 567501663 /nfs/dbraw/zinc/50/16/63/567501663.db2.gz YEYFKIATFSJKGO-DLBZAZTESA-N 2 2 394.357 3.101 20 0 GGADLP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(Br)c1 ZINC000479083032 567502531 /nfs/dbraw/zinc/50/25/31/567502531.db2.gz UHORAJWIHSUDOJ-ROUUACIJSA-N 2 2 396.373 3.466 20 0 GGADLP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(Br)c1 ZINC000479083032 567502534 /nfs/dbraw/zinc/50/25/34/567502534.db2.gz UHORAJWIHSUDOJ-ROUUACIJSA-N 2 2 396.373 3.466 20 0 GGADLP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000594740664 567506669 /nfs/dbraw/zinc/50/66/69/567506669.db2.gz PSEUTPWPYVKXQI-CQSZACIVSA-N 2 2 386.309 3.379 20 0 GGADLP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000594740664 567506671 /nfs/dbraw/zinc/50/66/71/567506671.db2.gz PSEUTPWPYVKXQI-CQSZACIVSA-N 2 2 386.309 3.379 20 0 GGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663440694 567508603 /nfs/dbraw/zinc/50/86/03/567508603.db2.gz PNIQUJWVILTUSH-GDBMZVCRSA-N 2 2 384.387 3.212 20 0 GGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663440694 567508607 /nfs/dbraw/zinc/50/86/07/567508607.db2.gz PNIQUJWVILTUSH-GDBMZVCRSA-N 2 2 384.387 3.212 20 0 GGADLP Cc1cc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)ccc1Br ZINC000570762764 567510907 /nfs/dbraw/zinc/51/09/07/567510907.db2.gz MHFISZCHHHNLDQ-SFHVURJKSA-N 2 2 381.358 3.392 20 0 GGADLP Cc1cc(C2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)ccc1Br ZINC000570762764 567510912 /nfs/dbraw/zinc/51/09/12/567510912.db2.gz MHFISZCHHHNLDQ-SFHVURJKSA-N 2 2 381.358 3.392 20 0 GGADLP Cc1cc(C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)ccc1Br ZINC000570762763 567511033 /nfs/dbraw/zinc/51/10/33/567511033.db2.gz MHFISZCHHHNLDQ-GOSISDBHSA-N 2 2 381.358 3.392 20 0 GGADLP Cc1cc(C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)ccc1Br ZINC000570762763 567511034 /nfs/dbraw/zinc/51/10/34/567511034.db2.gz MHFISZCHHHNLDQ-GOSISDBHSA-N 2 2 381.358 3.392 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@H](C)C[NH2+]C)cc1Br ZINC000663507196 567511796 /nfs/dbraw/zinc/51/17/96/567511796.db2.gz LKJWMVIDBBMURC-SECBINFHSA-N 2 2 380.124 3.308 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000643521504 567511841 /nfs/dbraw/zinc/51/18/41/567511841.db2.gz MTMDUBRYGLVOLF-SWLSCSKDSA-N 2 2 378.318 3.131 20 0 GGADLP O=C(C[NH2+]C(c1ccccc1Cl)c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000643500436 567511870 /nfs/dbraw/zinc/51/18/70/567511870.db2.gz JVSNJFURMLWXPD-UHFFFAOYSA-N 2 2 378.303 3.104 20 0 GGADLP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538881 567511899 /nfs/dbraw/zinc/51/18/99/567511899.db2.gz YTCGKTBNFIDDJD-USWWRNFRSA-N 2 2 381.801 3.366 20 0 GGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000643521503 567511913 /nfs/dbraw/zinc/51/19/13/567511913.db2.gz MTMDUBRYGLVOLF-IUODEOHRSA-N 2 2 378.318 3.131 20 0 GGADLP CCC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1 ZINC000551515531 567513526 /nfs/dbraw/zinc/51/35/26/567513526.db2.gz DQAHIRMCDIPMAZ-UHFFFAOYSA-N 2 2 378.460 3.073 20 0 GGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806717 567514553 /nfs/dbraw/zinc/51/45/53/567514553.db2.gz OSLXCDRKIXKGRR-KBXCAEBGSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806717 567514559 /nfs/dbraw/zinc/51/45/59/567514559.db2.gz OSLXCDRKIXKGRR-KBXCAEBGSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806717 567514565 /nfs/dbraw/zinc/51/45/65/567514565.db2.gz OSLXCDRKIXKGRR-KBXCAEBGSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806717 567514568 /nfs/dbraw/zinc/51/45/68/567514568.db2.gz OSLXCDRKIXKGRR-KBXCAEBGSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1Cl ZINC000570822033 567516209 /nfs/dbraw/zinc/51/62/09/567516209.db2.gz MERPSHUIPOICKV-HNNXBMFYSA-N 2 2 377.941 3.397 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H](Nc2nc(C)[nH+]c(C)c2Br)[C@@H](C)C1 ZINC000663617887 567519481 /nfs/dbraw/zinc/51/94/81/567519481.db2.gz JDABMILPWSTQLA-WFASDCNBSA-N 2 2 385.350 3.405 20 0 GGADLP CCOCCC[N@H+]1CC[C@H](Nc2nc(C)[nH+]c(C)c2Br)[C@@H](C)C1 ZINC000663617887 567519486 /nfs/dbraw/zinc/51/94/86/567519486.db2.gz JDABMILPWSTQLA-WFASDCNBSA-N 2 2 385.350 3.405 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2nc(C)[nH+]c(C)c2Br)[C@H](C)C1 ZINC000663617884 567519567 /nfs/dbraw/zinc/51/95/67/567519567.db2.gz JDABMILPWSTQLA-IUODEOHRSA-N 2 2 385.350 3.405 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)[nH+]c(C)c2Br)[C@H](C)C1 ZINC000663617884 567519573 /nfs/dbraw/zinc/51/95/73/567519573.db2.gz JDABMILPWSTQLA-IUODEOHRSA-N 2 2 385.350 3.405 20 0 GGADLP Clc1cnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000529522522 567524407 /nfs/dbraw/zinc/52/44/07/567524407.db2.gz GCHKEFTZNZHENE-UHFFFAOYSA-N 2 2 388.737 3.042 20 0 GGADLP Fc1cc(Br)cnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000529526972 567525621 /nfs/dbraw/zinc/52/56/21/567525621.db2.gz CCNIRXKRRWRCPD-UHFFFAOYSA-N 2 2 386.309 3.060 20 0 GGADLP Cc1nc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Br)c(C)[nH+]1 ZINC000663725893 567525938 /nfs/dbraw/zinc/52/59/38/567525938.db2.gz FSYIWGVRPXPJQU-CABCVRRESA-N 2 2 383.334 3.036 20 0 GGADLP Clc1cc(C[NH2+]Cc2c[nH+]c3n2CCC3)ccc1I ZINC000594936059 567526947 /nfs/dbraw/zinc/52/69/47/567526947.db2.gz GXDGKSBJDJYJRY-UHFFFAOYSA-N 2 2 387.652 3.377 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529533451 567527089 /nfs/dbraw/zinc/52/70/89/567527089.db2.gz WGGKSRYDLIDZJS-AWEZNQCLSA-N 2 2 390.753 3.430 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529533451 567527096 /nfs/dbraw/zinc/52/70/96/567527096.db2.gz WGGKSRYDLIDZJS-AWEZNQCLSA-N 2 2 390.753 3.430 20 0 GGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@@H]2C1 ZINC000529541435 567528960 /nfs/dbraw/zinc/52/89/60/567528960.db2.gz LWBGYXCMKCPBCN-WCQYABFASA-N 2 2 381.343 3.427 20 0 GGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@@H]2C1 ZINC000529541435 567528968 /nfs/dbraw/zinc/52/89/68/567528968.db2.gz LWBGYXCMKCPBCN-WCQYABFASA-N 2 2 381.343 3.427 20 0 GGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@@H]2C1 ZINC000529541435 567528974 /nfs/dbraw/zinc/52/89/74/567528974.db2.gz LWBGYXCMKCPBCN-WCQYABFASA-N 2 2 381.343 3.427 20 0 GGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@@H]2C1 ZINC000529541435 567528979 /nfs/dbraw/zinc/52/89/79/567528979.db2.gz LWBGYXCMKCPBCN-WCQYABFASA-N 2 2 381.343 3.427 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C)c1ccccc1Br ZINC000551726215 567532382 /nfs/dbraw/zinc/53/23/82/567532382.db2.gz UQYTVFNTFWHCFQ-IIYDPXPESA-N 2 2 391.313 3.053 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000571175772 567542944 /nfs/dbraw/zinc/54/29/44/567542944.db2.gz MNHWAYZAVRZCAI-GXTWGEPZSA-N 2 2 381.307 3.394 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000571175772 567542952 /nfs/dbraw/zinc/54/29/52/567542952.db2.gz MNHWAYZAVRZCAI-GXTWGEPZSA-N 2 2 381.307 3.394 20 0 GGADLP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(F)cc1Br ZINC000571359821 567555822 /nfs/dbraw/zinc/55/58/22/567555822.db2.gz NARGPKVNIPKFHZ-UHFFFAOYSA-N 2 2 382.277 3.213 20 0 GGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000644531916 567556388 /nfs/dbraw/zinc/55/63/88/567556388.db2.gz DPUMEPAHAOIMCJ-MRXNPFEDSA-N 2 2 381.289 3.171 20 0 GGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000644531916 567556390 /nfs/dbraw/zinc/55/63/90/567556390.db2.gz DPUMEPAHAOIMCJ-MRXNPFEDSA-N 2 2 381.289 3.171 20 0 GGADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)CC1 ZINC000644535321 567556926 /nfs/dbraw/zinc/55/69/26/567556926.db2.gz OZNNKCJUOLSMII-KRWDZBQOSA-N 2 2 377.941 3.049 20 0 GGADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1Br ZINC000644537197 567556966 /nfs/dbraw/zinc/55/69/66/567556966.db2.gz RBGCLBFMBCGWRO-QGZVFWFLSA-N 2 2 393.325 3.040 20 0 GGADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1Br ZINC000644537197 567556968 /nfs/dbraw/zinc/55/69/68/567556968.db2.gz RBGCLBFMBCGWRO-QGZVFWFLSA-N 2 2 393.325 3.040 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(Br)c1 ZINC000552110677 567560335 /nfs/dbraw/zinc/56/03/35/567560335.db2.gz ZDTCZLRENZFKPR-GOSISDBHSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(Br)c1 ZINC000552110677 567560341 /nfs/dbraw/zinc/56/03/41/567560341.db2.gz ZDTCZLRENZFKPR-GOSISDBHSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(Br)c1 ZINC000552110677 567560350 /nfs/dbraw/zinc/56/03/50/567560350.db2.gz ZDTCZLRENZFKPR-GOSISDBHSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Br)c1 ZINC000552110677 567560353 /nfs/dbraw/zinc/56/03/53/567560353.db2.gz ZDTCZLRENZFKPR-GOSISDBHSA-N 2 2 381.314 3.153 20 0 GGADLP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1cccc(Cl)c1Cl ZINC000530238926 567586005 /nfs/dbraw/zinc/58/60/05/567586005.db2.gz QAYAJMHOJBGHSM-AWEZNQCLSA-N 2 2 386.323 3.022 20 0 GGADLP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1Cl ZINC000530239332 567586050 /nfs/dbraw/zinc/58/60/50/567586050.db2.gz RXNUPMQWYPUUFN-OAHLLOKOSA-N 2 2 386.323 3.022 20 0 GGADLP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1cccc(Cl)c1Cl ZINC000530238927 567586175 /nfs/dbraw/zinc/58/61/75/567586175.db2.gz QAYAJMHOJBGHSM-CQSZACIVSA-N 2 2 386.323 3.022 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCSc1cccc(Cl)c1 ZINC000571839022 567592470 /nfs/dbraw/zinc/59/24/70/567592470.db2.gz UOBDRTNFENLXIO-UHFFFAOYSA-N 2 2 383.989 3.307 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCSc1cccc(Cl)c1 ZINC000571839022 567592477 /nfs/dbraw/zinc/59/24/77/567592477.db2.gz UOBDRTNFENLXIO-UHFFFAOYSA-N 2 2 383.989 3.307 20 0 GGADLP C[NH+](C)CCN(Cc1ccco1)Cc1c[nH+]c2ccc(Br)cn12 ZINC000571925854 567599587 /nfs/dbraw/zinc/59/95/87/567599587.db2.gz PRIVWFUJLXCCQB-UHFFFAOYSA-N 2 2 377.286 3.254 20 0 GGADLP CC[N@H+](CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)CCC(F)(F)F ZINC000572058302 567609982 /nfs/dbraw/zinc/60/99/82/567609982.db2.gz UFGCZOFCPDCZHT-OAHLLOKOSA-N 2 2 379.854 3.333 20 0 GGADLP CC[N@@H+](CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)CCC(F)(F)F ZINC000572058302 567609985 /nfs/dbraw/zinc/60/99/85/567609985.db2.gz UFGCZOFCPDCZHT-OAHLLOKOSA-N 2 2 379.854 3.333 20 0 GGADLP Cc1c([C@@H](C)[NH2+]CC2([NH3+])CCCC2)nnn1-c1cccc(Br)c1 ZINC000665249281 567614017 /nfs/dbraw/zinc/61/40/17/567614017.db2.gz MKWTVSMFFNTKBZ-GFCCVEGCSA-N 2 2 378.318 3.260 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC000506205387 567614987 /nfs/dbraw/zinc/61/49/87/567614987.db2.gz LOYIWZZAGFNKRB-KRWDZBQOSA-N 2 2 394.357 3.245 20 0 GGADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](c2ccc(Br)cc2Cl)C2CC2)n1 ZINC000665293164 567617471 /nfs/dbraw/zinc/61/74/71/567617471.db2.gz UBXKITOXXGORCT-INIZCTEOSA-N 2 2 397.704 3.298 20 0 GGADLP CCOC(=O)C[N@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cccc(Br)c1 ZINC000459377741 567619155 /nfs/dbraw/zinc/61/91/55/567619155.db2.gz QEYFOXKUAVUBHV-AWEZNQCLSA-N 2 2 394.313 3.351 20 0 GGADLP CCOC(=O)C[N@@H+](CCc1c[nH+]cn1C)[C@@H](C)c1cccc(Br)c1 ZINC000459377741 567619158 /nfs/dbraw/zinc/61/91/58/567619158.db2.gz QEYFOXKUAVUBHV-AWEZNQCLSA-N 2 2 394.313 3.351 20 0 GGADLP Oc1cccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c1Br ZINC000459380050 567620483 /nfs/dbraw/zinc/62/04/83/567620483.db2.gz PZCSUOXPRGCBGQ-UHFFFAOYSA-N 2 2 391.309 3.277 20 0 GGADLP Oc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1Br ZINC000459387814 567620532 /nfs/dbraw/zinc/62/05/32/567620532.db2.gz KFRGSFVCIVYGJZ-UHFFFAOYSA-N 2 2 391.309 3.277 20 0 GGADLP CN(C(=O)c1cc(Cl)c(F)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398917 567622373 /nfs/dbraw/zinc/62/23/73/567622373.db2.gz OMPPVLWISPHCQM-CYBMUJFWSA-N 2 2 388.314 3.373 20 0 GGADLP CN(C(=O)c1cc(Cl)c(F)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398917 567622381 /nfs/dbraw/zinc/62/23/81/567622381.db2.gz OMPPVLWISPHCQM-CYBMUJFWSA-N 2 2 388.314 3.373 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2Br)[C@H](C)C1 ZINC000459414028 567622407 /nfs/dbraw/zinc/62/24/07/567622407.db2.gz OCYJSKJNLZUNTP-GDBMZVCRSA-N 2 2 385.346 3.381 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2Br)[C@H](C)C1 ZINC000459414028 567622412 /nfs/dbraw/zinc/62/24/12/567622412.db2.gz OCYJSKJNLZUNTP-GDBMZVCRSA-N 2 2 385.346 3.381 20 0 GGADLP Brc1cccc2nc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)[nH]c21 ZINC000572220843 567622763 /nfs/dbraw/zinc/62/27/63/567622763.db2.gz GMFPWYWZAAXDBA-UHFFFAOYSA-N 2 2 386.297 3.479 20 0 GGADLP Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1Br ZINC000459435512 567623777 /nfs/dbraw/zinc/62/37/77/567623777.db2.gz DJBZIAHECGAURQ-HOTGVXAUSA-N 2 2 383.330 3.012 20 0 GGADLP Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1Br ZINC000459435513 567624462 /nfs/dbraw/zinc/62/44/62/567624462.db2.gz DJBZIAHECGAURQ-HZPDHXFCSA-N 2 2 383.330 3.012 20 0 GGADLP C[C@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000572241042 567625044 /nfs/dbraw/zinc/62/50/44/567625044.db2.gz ILFOMNOBHDTDOP-ZVZYQTTQSA-N 2 2 394.357 3.090 20 0 GGADLP COc1cc(C[N@H+](C)C2(C[NH3+])CCC2)cc(Br)c1OC(F)F ZINC000572242912 567625831 /nfs/dbraw/zinc/62/58/31/567625831.db2.gz BYWMWSROFQBHML-UHFFFAOYSA-N 2 2 379.245 3.372 20 0 GGADLP COc1cc(C[N@@H+](C)C2(C[NH3+])CCC2)cc(Br)c1OC(F)F ZINC000572242912 567625836 /nfs/dbraw/zinc/62/58/36/567625836.db2.gz BYWMWSROFQBHML-UHFFFAOYSA-N 2 2 379.245 3.372 20 0 GGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@H]1SC ZINC000459492316 567629506 /nfs/dbraw/zinc/62/95/06/567629506.db2.gz WMKFIXQYINXQDR-BZUAXINKSA-N 2 2 398.370 3.446 20 0 GGADLP Brc1ccc(/C=C/CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000531018756 567636926 /nfs/dbraw/zinc/63/69/26/567636926.db2.gz KXLUHNJOULPQKG-HNQUOIGGSA-N 2 2 375.314 3.393 20 0 GGADLP C[N@@H+]1CCN(CCNc2cc[nH+]c3cc(Br)ccc23)CC1(C)C ZINC000440647716 567637179 /nfs/dbraw/zinc/63/71/79/567637179.db2.gz IDYPAQPLDNKHQY-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GGADLP C[N@H+]1CCN(CCNc2cc[nH+]c3cc(Br)ccc23)CC1(C)C ZINC000440647716 567637184 /nfs/dbraw/zinc/63/71/84/567637184.db2.gz IDYPAQPLDNKHQY-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GGADLP Brc1ccc(/C=C\CC[NH+]2CCN(Cc3[nH]cc[nH+]3)CC2)cc1 ZINC000531018757 567637208 /nfs/dbraw/zinc/63/72/08/567637208.db2.gz KXLUHNJOULPQKG-IWQZZHSRSA-N 2 2 375.314 3.393 20 0 GGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc(Br)cc21 ZINC000553261361 567638796 /nfs/dbraw/zinc/63/87/96/567638796.db2.gz YKNNKORMKUMMCB-DZGCQCFKSA-N 2 2 376.298 3.297 20 0 GGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459650506 567645348 /nfs/dbraw/zinc/64/53/48/567645348.db2.gz NIJRBBHRIFXNPA-CQSZACIVSA-N 2 2 377.476 3.386 20 0 GGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459650506 567645352 /nfs/dbraw/zinc/64/53/52/567645352.db2.gz NIJRBBHRIFXNPA-CQSZACIVSA-N 2 2 377.476 3.386 20 0 GGADLP C[C@@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(Br)cc1 ZINC000441330435 567660595 /nfs/dbraw/zinc/66/05/95/567660595.db2.gz GOZXJAYFVHKLMP-CRAIPNDOSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(Br)cc1 ZINC000441330435 567660598 /nfs/dbraw/zinc/66/05/98/567660598.db2.gz GOZXJAYFVHKLMP-CRAIPNDOSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000441330435 567660602 /nfs/dbraw/zinc/66/06/02/567660602.db2.gz GOZXJAYFVHKLMP-CRAIPNDOSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccc(Br)cc1 ZINC000441330435 567660604 /nfs/dbraw/zinc/66/06/04/567660604.db2.gz GOZXJAYFVHKLMP-CRAIPNDOSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000531738433 567675918 /nfs/dbraw/zinc/67/59/18/567675918.db2.gz SIERKYGTXXCWBO-DNVCBOLYSA-N 2 2 383.989 3.104 20 0 GGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000507338191 567675896 /nfs/dbraw/zinc/67/58/96/567675896.db2.gz IYKWWAAQXUWWKU-UHFFFAOYSA-N 2 2 396.373 3.212 20 0 GGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000507338191 567675901 /nfs/dbraw/zinc/67/59/01/567675901.db2.gz IYKWWAAQXUWWKU-UHFFFAOYSA-N 2 2 396.373 3.212 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000645929864 567681608 /nfs/dbraw/zinc/68/16/08/567681608.db2.gz MRFFTRFWKTWPDZ-MRXNPFEDSA-N 2 2 382.346 3.172 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000645929863 567682217 /nfs/dbraw/zinc/68/22/17/567682217.db2.gz MRFFTRFWKTWPDZ-INIZCTEOSA-N 2 2 382.346 3.172 20 0 GGADLP COc1ccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c(Br)c1O ZINC000623089783 567684752 /nfs/dbraw/zinc/68/47/52/567684752.db2.gz YINIVEQPOZRLPU-UHFFFAOYSA-N 2 2 393.272 3.230 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000531994640 567690999 /nfs/dbraw/zinc/69/09/99/567690999.db2.gz FQKRIMUQQSKOFG-UGSOOPFHSA-N 2 2 385.961 3.093 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000532155169 567699750 /nfs/dbraw/zinc/69/97/50/567699750.db2.gz NAMVUZIOXFPXIM-GDBMZVCRSA-N 2 2 386.367 3.457 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000532155169 567699758 /nfs/dbraw/zinc/69/97/58/567699758.db2.gz NAMVUZIOXFPXIM-GDBMZVCRSA-N 2 2 386.367 3.457 20 0 GGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000532155169 567699766 /nfs/dbraw/zinc/69/97/66/567699766.db2.gz NAMVUZIOXFPXIM-GDBMZVCRSA-N 2 2 386.367 3.457 20 0 GGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000532155169 567699770 /nfs/dbraw/zinc/69/97/70/567699770.db2.gz NAMVUZIOXFPXIM-GDBMZVCRSA-N 2 2 386.367 3.457 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000532225127 567704037 /nfs/dbraw/zinc/70/40/37/567704037.db2.gz NUJQKZYBHFWUKN-DZGCQCFKSA-N 2 2 392.345 3.331 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000532225127 567704039 /nfs/dbraw/zinc/70/40/39/567704039.db2.gz NUJQKZYBHFWUKN-DZGCQCFKSA-N 2 2 392.345 3.331 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000623420727 567709396 /nfs/dbraw/zinc/70/93/96/567709396.db2.gz MYFKLKMWSDHMBQ-YJBOKZPZSA-N 2 2 384.362 3.379 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000623420727 567709399 /nfs/dbraw/zinc/70/93/99/567709399.db2.gz MYFKLKMWSDHMBQ-YJBOKZPZSA-N 2 2 384.362 3.379 20 0 GGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ncc1Br ZINC000623453274 567711413 /nfs/dbraw/zinc/71/14/13/567711413.db2.gz HETZNENXSPGISN-MSOLQXFVSA-N 2 2 382.346 3.010 20 0 GGADLP Cc1nn(C)c(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1Br ZINC000573407320 567711738 /nfs/dbraw/zinc/71/17/38/567711738.db2.gz LJWCYQDGDPURKJ-UHFFFAOYSA-N 2 2 380.334 3.380 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000573430984 567712973 /nfs/dbraw/zinc/71/29/73/567712973.db2.gz SNCXOFCTVMYIOR-AWEZNQCLSA-N 2 2 383.330 3.399 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000573430984 567712979 /nfs/dbraw/zinc/71/29/79/567712979.db2.gz SNCXOFCTVMYIOR-AWEZNQCLSA-N 2 2 383.330 3.399 20 0 GGADLP CCCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OCC ZINC000666943486 567714128 /nfs/dbraw/zinc/71/41/28/567714128.db2.gz MDYYPWDYUZQLNT-KBPBESRZSA-N 2 2 389.309 3.426 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946461 567714600 /nfs/dbraw/zinc/71/46/00/567714600.db2.gz DDGCETKSEUWMHG-SCVCMEIPSA-N 2 2 381.801 3.366 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000532459471 567717005 /nfs/dbraw/zinc/71/70/05/567717005.db2.gz TUUVVSWFPPJYEZ-CABCVRRESA-N 2 2 382.346 3.488 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000532459471 567717011 /nfs/dbraw/zinc/71/70/11/567717011.db2.gz TUUVVSWFPPJYEZ-CABCVRRESA-N 2 2 382.346 3.488 20 0 GGADLP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000573555930 567721898 /nfs/dbraw/zinc/72/18/98/567721898.db2.gz YWJHAXHDMKGEJN-IUODEOHRSA-N 2 2 378.318 3.131 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532542141 567722127 /nfs/dbraw/zinc/72/21/27/567722127.db2.gz NOBIYQLXNUDPEP-PBFPGSCMSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532542141 567722128 /nfs/dbraw/zinc/72/21/28/567722128.db2.gz NOBIYQLXNUDPEP-PBFPGSCMSA-N 2 2 380.330 3.239 20 0 GGADLP COc1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc(Br)c1O ZINC000508489146 567750989 /nfs/dbraw/zinc/75/09/89/567750989.db2.gz PWCHMIFXZXKORQ-UHFFFAOYSA-N 2 2 389.253 3.415 20 0 GGADLP CC[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@@H]1[NH3+] ZINC000647008532 567754833 /nfs/dbraw/zinc/75/48/33/567754833.db2.gz PZLLUKTWDIUQTN-JLSDUUJJSA-N 2 2 394.357 3.172 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3cccc(Br)c3)[nH+]c2)CC1 ZINC000533187454 567757987 /nfs/dbraw/zinc/75/79/87/567757987.db2.gz AKMCMZYZUSZLNI-UHFFFAOYSA-N 2 2 389.341 3.409 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000624085438 567759118 /nfs/dbraw/zinc/75/91/18/567759118.db2.gz UOSYWNNEQPKUPZ-WWGRRREGSA-N 2 2 388.339 3.079 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000624085438 567759123 /nfs/dbraw/zinc/75/91/23/567759123.db2.gz UOSYWNNEQPKUPZ-WWGRRREGSA-N 2 2 388.339 3.079 20 0 GGADLP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085469 567759418 /nfs/dbraw/zinc/75/94/18/567759418.db2.gz XEYHZVZCDXJLLB-MSOLQXFVSA-N 2 2 396.373 3.090 20 0 GGADLP CC[C@H](CCc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085469 567759421 /nfs/dbraw/zinc/75/94/21/567759421.db2.gz XEYHZVZCDXJLLB-MSOLQXFVSA-N 2 2 396.373 3.090 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667637457 567761410 /nfs/dbraw/zinc/76/14/10/567761410.db2.gz UKNXMWCMRAMTJV-UHFFFAOYSA-N 2 2 381.314 3.474 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000667637457 567761419 /nfs/dbraw/zinc/76/14/19/567761419.db2.gz UKNXMWCMRAMTJV-UHFFFAOYSA-N 2 2 381.314 3.474 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624123443 567761878 /nfs/dbraw/zinc/76/18/78/567761878.db2.gz LYNXZNDGNNVKRA-RYUDHWBXSA-N 2 2 394.368 3.023 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624123443 567761880 /nfs/dbraw/zinc/76/18/80/567761880.db2.gz LYNXZNDGNNVKRA-RYUDHWBXSA-N 2 2 394.368 3.023 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c12 ZINC000443506973 567764075 /nfs/dbraw/zinc/76/40/75/567764075.db2.gz FAFJIZBTVQQLGI-CYBMUJFWSA-N 2 2 394.288 3.295 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000574322721 567772207 /nfs/dbraw/zinc/77/22/07/567772207.db2.gz NWFPYEBBAWXFCJ-ZWKOTPCHSA-N 2 2 385.321 3.474 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000574322721 567772214 /nfs/dbraw/zinc/77/22/14/567772214.db2.gz NWFPYEBBAWXFCJ-ZWKOTPCHSA-N 2 2 385.321 3.474 20 0 GGADLP CC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(=O)NCc1cccs1 ZINC000647241581 567774440 /nfs/dbraw/zinc/77/44/40/567774440.db2.gz RVLQEDCGERJEGZ-HNNXBMFYSA-N 2 2 377.476 3.149 20 0 GGADLP COc1ccc(C[NH2+]CCc2cn3c(cccc3C)[nH+]2)c(Br)c1O ZINC000647262929 567775681 /nfs/dbraw/zinc/77/56/81/567775681.db2.gz YWQCSZJFJYDZRV-UHFFFAOYSA-N 2 2 390.281 3.452 20 0 GGADLP C[C@@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000533568904 567776951 /nfs/dbraw/zinc/77/69/51/567776951.db2.gz AERDGKKQCCVUET-YJBOKZPZSA-N 2 2 394.357 3.187 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000555598128 567790870 /nfs/dbraw/zinc/79/08/70/567790870.db2.gz RELMMJRIVGBJLU-SFHVURJKSA-N 2 2 383.330 3.384 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000555598128 567790871 /nfs/dbraw/zinc/79/08/71/567790871.db2.gz RELMMJRIVGBJLU-SFHVURJKSA-N 2 2 383.330 3.384 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000555598128 567790874 /nfs/dbraw/zinc/79/08/74/567790874.db2.gz RELMMJRIVGBJLU-SFHVURJKSA-N 2 2 383.330 3.384 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000555598128 567790876 /nfs/dbraw/zinc/79/08/76/567790876.db2.gz RELMMJRIVGBJLU-SFHVURJKSA-N 2 2 383.330 3.384 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(Br)c1OC ZINC000555596812 567791044 /nfs/dbraw/zinc/79/10/44/567791044.db2.gz FHDQLJWRGCSTQY-GOSISDBHSA-N 2 2 383.330 3.384 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(Br)c1OC ZINC000555596812 567791048 /nfs/dbraw/zinc/79/10/48/567791048.db2.gz FHDQLJWRGCSTQY-GOSISDBHSA-N 2 2 383.330 3.384 20 0 GGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(Br)c1OC ZINC000555596812 567791052 /nfs/dbraw/zinc/79/10/52/567791052.db2.gz FHDQLJWRGCSTQY-GOSISDBHSA-N 2 2 383.330 3.384 20 0 GGADLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Br)c1OC ZINC000555596812 567791058 /nfs/dbraw/zinc/79/10/58/567791058.db2.gz FHDQLJWRGCSTQY-GOSISDBHSA-N 2 2 383.330 3.384 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542933 567791212 /nfs/dbraw/zinc/79/12/12/567791212.db2.gz DXHGOPRMOJKPNR-CVEARBPZSA-N 2 2 384.973 3.345 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542933 567791218 /nfs/dbraw/zinc/79/12/18/567791218.db2.gz DXHGOPRMOJKPNR-CVEARBPZSA-N 2 2 384.973 3.345 20 0 GGADLP O=C([C@H]1CC[NH2+]1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000444174080 567794894 /nfs/dbraw/zinc/79/48/94/567794894.db2.gz FICGUOPKOSCCTJ-QGZVFWFLSA-N 2 2 375.925 3.075 20 0 GGADLP O[C@@H]1CC[N@H+](CCNc2cc(C3CC3)[nH+]c3c(Br)cccc23)C1 ZINC000624679036 567795557 /nfs/dbraw/zinc/79/55/57/567795557.db2.gz HGJKIIUWVQPGSG-CYBMUJFWSA-N 2 2 376.298 3.353 20 0 GGADLP O[C@@H]1CC[N@@H+](CCNc2cc(C3CC3)[nH+]c3c(Br)cccc23)C1 ZINC000624679036 567795562 /nfs/dbraw/zinc/79/55/62/567795562.db2.gz HGJKIIUWVQPGSG-CYBMUJFWSA-N 2 2 376.298 3.353 20 0 GGADLP C[NH+](C)CCN(Cc1c[nH+]c2n1CCC2)Cc1ccc(Br)cc1 ZINC000668158828 567799376 /nfs/dbraw/zinc/79/93/76/567799376.db2.gz BJAHQPXBLNFUOS-UHFFFAOYSA-N 2 2 377.330 3.156 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H]1C[NH3+] ZINC000647847055 567803074 /nfs/dbraw/zinc/80/30/74/567803074.db2.gz XDBMJCGUPQRNBM-GUYCJALGSA-N 2 2 375.314 3.465 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H]1C[NH3+] ZINC000647847055 567803079 /nfs/dbraw/zinc/80/30/79/567803079.db2.gz XDBMJCGUPQRNBM-GUYCJALGSA-N 2 2 375.314 3.465 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@@H]1C[NH3+] ZINC000647847052 567803280 /nfs/dbraw/zinc/80/32/80/567803280.db2.gz XDBMJCGUPQRNBM-CXAGYDPISA-N 2 2 375.314 3.465 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@@H]1C[NH3+] ZINC000647847052 567803283 /nfs/dbraw/zinc/80/32/83/567803283.db2.gz XDBMJCGUPQRNBM-CXAGYDPISA-N 2 2 375.314 3.465 20 0 GGADLP Brc1ccc(Cc2noc([C@H]3CCC[N@@H+]3C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000647884959 567804921 /nfs/dbraw/zinc/80/49/21/567804921.db2.gz QPOJSACQAGVRSS-GOEBONIOSA-N 2 2 391.313 3.169 20 0 GGADLP Brc1ccc(Cc2noc([C@H]3CCC[N@H+]3C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000647884959 567804926 /nfs/dbraw/zinc/80/49/26/567804926.db2.gz QPOJSACQAGVRSS-GOEBONIOSA-N 2 2 391.313 3.169 20 0 GGADLP Brc1ccc(Cc2noc([C@H]3CCC[N@@H+]3C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000647884958 567805116 /nfs/dbraw/zinc/80/51/16/567805116.db2.gz QPOJSACQAGVRSS-GDBMZVCRSA-N 2 2 391.313 3.169 20 0 GGADLP Brc1ccc(Cc2noc([C@H]3CCC[N@H+]3C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000647884958 567805122 /nfs/dbraw/zinc/80/51/22/567805122.db2.gz QPOJSACQAGVRSS-GDBMZVCRSA-N 2 2 391.313 3.169 20 0 GGADLP Cc1sc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc1-c1ccc(Cl)cc1 ZINC000647905536 567806250 /nfs/dbraw/zinc/80/62/50/567806250.db2.gz DDWNCXRCJBSGJG-WCQYABFASA-N 2 2 378.929 3.380 20 0 GGADLP Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)nc1-c1ccc(Cl)cc1 ZINC000647905536 567806252 /nfs/dbraw/zinc/80/62/52/567806252.db2.gz DDWNCXRCJBSGJG-WCQYABFASA-N 2 2 378.929 3.380 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647971889 567807974 /nfs/dbraw/zinc/80/79/74/567807974.db2.gz YJQILFOBOYXPTL-VKJFTORMSA-N 2 2 382.335 3.198 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647971889 567807975 /nfs/dbraw/zinc/80/79/75/567807975.db2.gz YJQILFOBOYXPTL-VKJFTORMSA-N 2 2 382.335 3.198 20 0 GGADLP CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000029798899 570480369 /nfs/dbraw/zinc/48/03/69/570480369.db2.gz NWLODMDVKZXAKX-UHFFFAOYSA-N 2 2 375.476 3.267 20 0 GGADLP CC[C@@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030224498 570487224 /nfs/dbraw/zinc/48/72/24/570487224.db2.gz CCUKKOYTCJPPGT-GOSISDBHSA-N 2 2 384.549 3.191 20 0 GGADLP CC[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030224498 570487227 /nfs/dbraw/zinc/48/72/27/570487227.db2.gz CCUKKOYTCJPPGT-GOSISDBHSA-N 2 2 384.549 3.191 20 0 GGADLP Cc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776796 570798972 /nfs/dbraw/zinc/79/89/72/570798972.db2.gz OBVVFDKDGDVHNZ-NRFANRHFSA-N 2 2 378.520 3.266 20 0 GGADLP Cc1ccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776796 570798975 /nfs/dbraw/zinc/79/89/75/570798975.db2.gz OBVVFDKDGDVHNZ-NRFANRHFSA-N 2 2 378.520 3.266 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820648502 599479720 /nfs/dbraw/zinc/47/97/20/599479720.db2.gz ATDKOENFFIBHCD-HZPDHXFCSA-N 2 2 379.512 3.007 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000736226205 599588588 /nfs/dbraw/zinc/58/85/88/599588588.db2.gz GHQRJXYUCOSYBJ-JXFKEZNVSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000736226205 599588590 /nfs/dbraw/zinc/58/85/90/599588590.db2.gz GHQRJXYUCOSYBJ-JXFKEZNVSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000736226205 599588592 /nfs/dbraw/zinc/58/85/92/599588592.db2.gz GHQRJXYUCOSYBJ-JXFKEZNVSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3nn[nH]n3)ccc2F)CC[NH+]1Cc1ccccc1 ZINC000736226205 599588594 /nfs/dbraw/zinc/58/85/94/599588594.db2.gz GHQRJXYUCOSYBJ-JXFKEZNVSA-N 2 2 394.498 3.491 20 0 GGADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000822332003 607471581 /nfs/dbraw/zinc/47/15/81/607471581.db2.gz KPVBZGMRIIYZAQ-BEFAXECRSA-N 2 2 389.507 3.176 20 0 GGADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000822332003 607471583 /nfs/dbraw/zinc/47/15/83/607471583.db2.gz KPVBZGMRIIYZAQ-BEFAXECRSA-N 2 2 389.507 3.176 20 0 GGADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000822741500 607477807 /nfs/dbraw/zinc/47/78/07/607477807.db2.gz XYNSGNHYRKZJBF-KRWDZBQOSA-N 2 2 380.471 3.008 20 0 GGADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000822741500 607477808 /nfs/dbraw/zinc/47/78/08/607477808.db2.gz XYNSGNHYRKZJBF-KRWDZBQOSA-N 2 2 380.471 3.008 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000833629458 605224722 /nfs/dbraw/zinc/22/47/22/605224722.db2.gz IXPZDPHPGCNKNA-OALUTQOASA-N 2 2 387.568 3.062 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820758767 606741760 /nfs/dbraw/zinc/74/17/60/606741760.db2.gz CRLRVLQRBKUTOP-GJZGRUSLSA-N 2 2 382.537 3.174 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820410319 607013632 /nfs/dbraw/zinc/01/36/32/607013632.db2.gz DHNSRIAVSHSYQP-INIZCTEOSA-N 2 2 394.498 3.364 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000822477151 607058090 /nfs/dbraw/zinc/05/80/90/607058090.db2.gz IFSAUPQFARISMB-CYBMUJFWSA-N 2 2 377.427 3.351 20 0 GGADLP C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821607300 607065823 /nfs/dbraw/zinc/06/58/23/607065823.db2.gz IWJABXWZPWYKMY-UHFFFAOYSA-N 2 2 380.471 3.102 20 0 GGADLP C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000821607300 607065826 /nfs/dbraw/zinc/06/58/26/607065826.db2.gz IWJABXWZPWYKMY-UHFFFAOYSA-N 2 2 380.471 3.102 20 0 GGADLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000824891575 609251716 /nfs/dbraw/zinc/25/17/16/609251716.db2.gz AYVCXRCGQLLRQU-LAUBAEHRSA-N 2 2 388.519 3.499 20 0 GGADLP C[C@H]1C[C@H]([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000824891575 609251717 /nfs/dbraw/zinc/25/17/17/609251717.db2.gz AYVCXRCGQLLRQU-LAUBAEHRSA-N 2 2 388.519 3.499 20 0 GGADLP C[C@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824540332 609338018 /nfs/dbraw/zinc/33/80/18/609338018.db2.gz WKHPTGPQKLPGEX-IFXJQAMLSA-N 2 2 391.454 3.374 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824612621 609443107 /nfs/dbraw/zinc/44/31/07/609443107.db2.gz NULJAMUICYXZPQ-BEFAXECRSA-N 2 2 380.471 3.006 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824612621 609443108 /nfs/dbraw/zinc/44/31/08/609443108.db2.gz NULJAMUICYXZPQ-BEFAXECRSA-N 2 2 380.471 3.006 20 0 GGADLP Cc1ncc(C[N@@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000053153935 1406310308 /nfs/dbraw/zinc/31/03/08/1406310308.db2.gz WCUBAEFNWYAKOZ-MRXNPFEDSA-N 2 2 386.565 3.053 20 0 GGADLP Cc1ncc(C[N@H+](C)[C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000053153935 1406310325 /nfs/dbraw/zinc/31/03/25/1406310325.db2.gz WCUBAEFNWYAKOZ-MRXNPFEDSA-N 2 2 386.565 3.053 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000053534488 1406430659 /nfs/dbraw/zinc/43/06/59/1406430659.db2.gz YFCZUEZUJKNHOG-GOSISDBHSA-N 2 2 388.537 3.005 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000053538482 1406433555 /nfs/dbraw/zinc/43/35/55/1406433555.db2.gz UVYPQOUPPUIMOG-LJQANCHMSA-N 2 2 390.528 3.017 20 0 GGADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000054022534 1406590930 /nfs/dbraw/zinc/59/09/30/1406590930.db2.gz DFQLCHHMRFOVNQ-UHFFFAOYSA-N 2 2 391.519 3.205 20 0 GGADLP C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054043955 1406602745 /nfs/dbraw/zinc/60/27/45/1406602745.db2.gz HBKUYJNONRAMLI-AVRDEDQJSA-N 2 2 391.519 3.405 20 0 GGADLP O=C(NCCCn1cc[nH+]c1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000054046082 1406604580 /nfs/dbraw/zinc/60/45/80/1406604580.db2.gz GFSBRAVLBYBLJE-GOSISDBHSA-N 2 2 375.904 3.063 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054726473 1406814536 /nfs/dbraw/zinc/81/45/36/1406814536.db2.gz PIDZAANAWPBBMR-OALUTQOASA-N 2 2 397.567 3.487 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054727692 1406815389 /nfs/dbraw/zinc/81/53/89/1406815389.db2.gz UFBIDAIOPVLWLG-OALUTQOASA-N 2 2 397.567 3.487 20 0 GGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000055047896 1406878397 /nfs/dbraw/zinc/87/83/97/1406878397.db2.gz XBFOPTKACLCSPH-UHFFFAOYSA-N 2 2 393.535 3.099 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000055087980 1406882925 /nfs/dbraw/zinc/88/29/25/1406882925.db2.gz YGZKHACIXJGUSF-IBGZPJMESA-N 2 2 379.464 3.102 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000010340543 1398887322 /nfs/dbraw/zinc/88/73/22/1398887322.db2.gz YXQQFGGCXNWAJD-QFIPXVFZSA-N 2 2 379.504 3.294 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000010340543 1398887324 /nfs/dbraw/zinc/88/73/24/1398887324.db2.gz YXQQFGGCXNWAJD-QFIPXVFZSA-N 2 2 379.504 3.294 20 0 GGADLP COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014043217 1399084225 /nfs/dbraw/zinc/08/42/25/1399084225.db2.gz HLHAAIHFJHJTAV-QHCPKHFHSA-N 2 2 393.531 3.177 20 0 GGADLP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014043217 1399084226 /nfs/dbraw/zinc/08/42/26/1399084226.db2.gz HLHAAIHFJHJTAV-QHCPKHFHSA-N 2 2 393.531 3.177 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000015404725 1399161403 /nfs/dbraw/zinc/16/14/03/1399161403.db2.gz XTDTWILYXALQOQ-QHCPKHFHSA-N 2 2 393.531 3.467 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCc2ccccc21 ZINC000015404725 1399161407 /nfs/dbraw/zinc/16/14/07/1399161407.db2.gz XTDTWILYXALQOQ-QHCPKHFHSA-N 2 2 393.531 3.467 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000022549128 1399474689 /nfs/dbraw/zinc/47/46/89/1399474689.db2.gz ZRUMMNAQGGQKNJ-HSZRJFAPSA-N 2 2 377.532 3.476 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2c2ccccc2)CC1 ZINC000022549128 1399474697 /nfs/dbraw/zinc/47/46/97/1399474697.db2.gz ZRUMMNAQGGQKNJ-HSZRJFAPSA-N 2 2 377.532 3.476 20 0 GGADLP c1ccc(C[NH+]2CCN(CCCN3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000022877048 1399512775 /nfs/dbraw/zinc/51/27/75/1399512775.db2.gz KLMPDULPLRUXMT-UHFFFAOYSA-N 2 2 392.591 3.012 20 0 GGADLP COc1ccc([C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+]2CCCC2)cc1 ZINC000024049561 1399598455 /nfs/dbraw/zinc/59/84/55/1399598455.db2.gz KGVVODFDDNVCMB-QFIPXVFZSA-N 2 2 390.487 3.448 20 0 GGADLP CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)n3cc[nH+]c3)cc2Cl)CC1 ZINC000055695648 1407057912 /nfs/dbraw/zinc/05/79/12/1407057912.db2.gz ANCBDTZMVPXYNF-OAHLLOKOSA-N 2 2 375.904 3.268 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025359082 1399802471 /nfs/dbraw/zinc/80/24/71/1399802471.db2.gz YACXIQSCKFIVCW-HSZRJFAPSA-N 2 2 393.531 3.164 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025359082 1399802474 /nfs/dbraw/zinc/80/24/74/1399802474.db2.gz YACXIQSCKFIVCW-HSZRJFAPSA-N 2 2 393.531 3.164 20 0 GGADLP C[C@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1Cl ZINC000026855304 1399942324 /nfs/dbraw/zinc/94/23/24/1399942324.db2.gz PBLZTNCQCKAMMU-KRWDZBQOSA-N 2 2 393.959 3.142 20 0 GGADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000026861855 1399943664 /nfs/dbraw/zinc/94/36/64/1399943664.db2.gz PBROQAIQMXHMET-INIZCTEOSA-N 2 2 387.911 3.462 20 0 GGADLP O=C(Nc1ccc(CC[NH+]2CCOCC2)cc1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000056040195 1407179277 /nfs/dbraw/zinc/17/92/77/1407179277.db2.gz RFSROXJYPPPBNJ-UHFFFAOYSA-N 2 2 390.487 3.058 20 0 GGADLP CC1(C)CC(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000042908287 1403672113 /nfs/dbraw/zinc/67/21/13/1403672113.db2.gz QIYSQPGIYKWYME-UHFFFAOYSA-N 2 2 383.540 3.082 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000043179382 1403726598 /nfs/dbraw/zinc/72/65/98/1403726598.db2.gz XZSVWBYKMUZOOE-HDICACEKSA-N 2 2 388.556 3.290 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000043179382 1403726609 /nfs/dbraw/zinc/72/66/09/1403726609.db2.gz XZSVWBYKMUZOOE-HDICACEKSA-N 2 2 388.556 3.290 20 0 GGADLP CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000043292778 1403742186 /nfs/dbraw/zinc/74/21/86/1403742186.db2.gz LWUOMKOJPVCVMU-UHFFFAOYSA-N 2 2 398.473 3.017 20 0 GGADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCn2cc[nH+]c2)cc1 ZINC000043310719 1403745818 /nfs/dbraw/zinc/74/58/18/1403745818.db2.gz AJBLLRXFQPCHPJ-UHFFFAOYSA-N 2 2 377.492 3.111 20 0 GGADLP CC1CC[NH+](CCNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043530785 1403780908 /nfs/dbraw/zinc/78/09/08/1403780908.db2.gz WEHFAVDFFGAYAG-MRXNPFEDSA-N 2 2 379.574 3.228 20 0 GGADLP CC1CC[NH+](CCNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043530785 1403780911 /nfs/dbraw/zinc/78/09/11/1403780911.db2.gz WEHFAVDFFGAYAG-MRXNPFEDSA-N 2 2 379.574 3.228 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCCC4)CC3)n2)C1 ZINC000043546490 1403782498 /nfs/dbraw/zinc/78/24/98/1403782498.db2.gz QNPVKUOMMICXQH-MRXNPFEDSA-N 2 2 391.585 3.467 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCCC4)CC3)n2)C1 ZINC000043546490 1403782503 /nfs/dbraw/zinc/78/25/03/1403782503.db2.gz QNPVKUOMMICXQH-MRXNPFEDSA-N 2 2 391.585 3.467 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)n2)C1 ZINC000043547410 1403783340 /nfs/dbraw/zinc/78/33/40/1403783340.db2.gz HDGLABGIISGKTI-HOCLYGCPSA-N 2 2 391.541 3.392 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)n2)C1 ZINC000043547410 1403783345 /nfs/dbraw/zinc/78/33/45/1403783345.db2.gz HDGLABGIISGKTI-HOCLYGCPSA-N 2 2 391.541 3.392 20 0 GGADLP C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000056563905 1407362877 /nfs/dbraw/zinc/36/28/77/1407362877.db2.gz YAZVZIVUGGPTRF-JKSUJKDBSA-N 2 2 379.574 3.371 20 0 GGADLP C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000056563905 1407362883 /nfs/dbraw/zinc/36/28/83/1407362883.db2.gz YAZVZIVUGGPTRF-JKSUJKDBSA-N 2 2 379.574 3.371 20 0 GGADLP Cc1cc(N2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000044277347 1403912005 /nfs/dbraw/zinc/91/20/05/1403912005.db2.gz BICOEUFUEHVMPN-UHFFFAOYSA-N 2 2 396.539 3.324 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044852466 1404012320 /nfs/dbraw/zinc/01/23/20/1404012320.db2.gz XEYLGPLTJJVVMZ-HXUWFJFHSA-N 2 2 378.476 3.481 20 0 GGADLP Cc1ccc(C2=CC[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000044857971 1404013108 /nfs/dbraw/zinc/01/31/08/1404013108.db2.gz PMUXNBGQJNOLJF-UHFFFAOYSA-N 2 2 390.531 3.218 20 0 GGADLP Cc1ccc(C2=CC[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)cc1 ZINC000044857971 1404013117 /nfs/dbraw/zinc/01/31/17/1404013117.db2.gz PMUXNBGQJNOLJF-UHFFFAOYSA-N 2 2 390.531 3.218 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858118 1404013835 /nfs/dbraw/zinc/01/38/35/1404013835.db2.gz BSHWCDRGUDVNDQ-HXUWFJFHSA-N 2 2 382.483 3.097 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858118 1404013841 /nfs/dbraw/zinc/01/38/41/1404013841.db2.gz BSHWCDRGUDVNDQ-HXUWFJFHSA-N 2 2 382.483 3.097 20 0 GGADLP C[C@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045042321 1404042983 /nfs/dbraw/zinc/04/29/83/1404042983.db2.gz LESBRACIUKUWSS-SFHVURJKSA-N 2 2 389.503 3.291 20 0 GGADLP C[C@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045042321 1404042989 /nfs/dbraw/zinc/04/29/89/1404042989.db2.gz LESBRACIUKUWSS-SFHVURJKSA-N 2 2 389.503 3.291 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000045053274 1404045302 /nfs/dbraw/zinc/04/53/02/1404045302.db2.gz GUKIQAMMDFRVAS-NRFANRHFSA-N 2 2 390.487 3.448 20 0 GGADLP O=C(N=c1[nH]c(C[NH+]2CCCCCC2)cs1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045078914 1404049876 /nfs/dbraw/zinc/04/98/76/1404049876.db2.gz NWISDUYIELZKFA-UHFFFAOYSA-N 2 2 395.532 3.438 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000045658562 1404171195 /nfs/dbraw/zinc/17/11/95/1404171195.db2.gz PVYOXXQUMFUSJK-FQEVSTJZSA-N 2 2 386.565 3.187 20 0 GGADLP CC[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000045731943 1404188373 /nfs/dbraw/zinc/18/83/73/1404188373.db2.gz DJXCCPVJQGOLKX-QHCPKHFHSA-N 2 2 388.515 3.498 20 0 GGADLP CC[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000045731943 1404188384 /nfs/dbraw/zinc/18/83/84/1404188384.db2.gz DJXCCPVJQGOLKX-QHCPKHFHSA-N 2 2 388.515 3.498 20 0 GGADLP CC[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000045731945 1404188554 /nfs/dbraw/zinc/18/85/54/1404188554.db2.gz DJXCCPVJQGOLKX-HSZRJFAPSA-N 2 2 388.515 3.498 20 0 GGADLP CC[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000045731945 1404188558 /nfs/dbraw/zinc/18/85/58/1404188558.db2.gz DJXCCPVJQGOLKX-HSZRJFAPSA-N 2 2 388.515 3.498 20 0 GGADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000045806391 1404210162 /nfs/dbraw/zinc/21/01/62/1404210162.db2.gz CAECYZUQBLGBMV-IBGZPJMESA-N 2 2 396.535 3.212 20 0 GGADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000045806391 1404210169 /nfs/dbraw/zinc/21/01/69/1404210169.db2.gz CAECYZUQBLGBMV-IBGZPJMESA-N 2 2 396.535 3.212 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000046019413 1404274328 /nfs/dbraw/zinc/27/43/28/1404274328.db2.gz BKJOBGAJNQFKHG-OAQYLSRUSA-N 2 2 383.540 3.241 20 0 GGADLP CC1CC[NH+](CCNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000046369921 1404387645 /nfs/dbraw/zinc/38/76/45/1404387645.db2.gz NQCSRHCLHWSOKV-OALUTQOASA-N 2 2 388.556 3.149 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046751054 1404576845 /nfs/dbraw/zinc/57/68/45/1404576845.db2.gz HBVHGBYXGJFKTO-IBGZPJMESA-N 2 2 383.540 3.385 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046751054 1404576853 /nfs/dbraw/zinc/57/68/53/1404576853.db2.gz HBVHGBYXGJFKTO-IBGZPJMESA-N 2 2 383.540 3.385 20 0 GGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCN(C)CC3)cc2)o1 ZINC000046933873 1404641261 /nfs/dbraw/zinc/64/12/61/1404641261.db2.gz YNSPDALYGSNNGI-UHFFFAOYSA-N 2 2 384.524 3.121 20 0 GGADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000047297107 1404793809 /nfs/dbraw/zinc/79/38/09/1404793809.db2.gz IUSRRECIGDERBE-UHFFFAOYSA-N 2 2 392.478 3.419 20 0 GGADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000047297107 1404793816 /nfs/dbraw/zinc/79/38/16/1404793816.db2.gz IUSRRECIGDERBE-UHFFFAOYSA-N 2 2 392.478 3.419 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCNc2cccc[nH+]2)C1 ZINC000047501159 1404853000 /nfs/dbraw/zinc/85/30/00/1404853000.db2.gz IBZFEHCTJUZQJW-GOSISDBHSA-N 2 2 381.524 3.225 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCNc2cccc[nH+]2)C1 ZINC000047501159 1404853001 /nfs/dbraw/zinc/85/30/01/1404853001.db2.gz IBZFEHCTJUZQJW-GOSISDBHSA-N 2 2 381.524 3.225 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000047597361 1404876358 /nfs/dbraw/zinc/87/63/58/1404876358.db2.gz ZNJGVOSWODELSO-KDURUIRLSA-N 2 2 383.540 3.251 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000047597361 1404876361 /nfs/dbraw/zinc/87/63/61/1404876361.db2.gz ZNJGVOSWODELSO-KDURUIRLSA-N 2 2 383.540 3.251 20 0 GGADLP O=C(NCCCn1cc[nH+]c1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000047597212 1404876449 /nfs/dbraw/zinc/87/64/49/1404876449.db2.gz WILBSQJZIRTCEK-SFHVURJKSA-N 2 2 375.904 3.063 20 0 GGADLP Cc1nc(-c2ccccc2)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000047675993 1404891403 /nfs/dbraw/zinc/89/14/03/1404891403.db2.gz MNHHJKLRVBMFBH-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1nc(-c2ccccc2)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000047675993 1404891404 /nfs/dbraw/zinc/89/14/04/1404891404.db2.gz MNHHJKLRVBMFBH-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1nc2ccccc2s1 ZINC000047676049 1404891604 /nfs/dbraw/zinc/89/16/04/1404891604.db2.gz ZYHAAUQIVQDGGU-UHFFFAOYSA-N 2 2 388.581 3.103 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1nc2ccccc2s1 ZINC000047676049 1404891605 /nfs/dbraw/zinc/89/16/05/1404891605.db2.gz ZYHAAUQIVQDGGU-UHFFFAOYSA-N 2 2 388.581 3.103 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccsc1 ZINC000047777836 1404940517 /nfs/dbraw/zinc/94/05/17/1404940517.db2.gz LQMFNRLOAIZFLP-ROUUACIJSA-N 2 2 390.553 3.470 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccsc1 ZINC000047777838 1404940573 /nfs/dbraw/zinc/94/05/73/1404940573.db2.gz LQMFNRLOAIZFLP-ZWKOTPCHSA-N 2 2 390.553 3.470 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000047921114 1404996604 /nfs/dbraw/zinc/99/66/04/1404996604.db2.gz ZFZYQLHCTKJAAR-DLBZAZTESA-N 2 2 375.542 3.106 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000047951581 1405007800 /nfs/dbraw/zinc/00/78/00/1405007800.db2.gz RLDMLKCFBIKIKA-GOSISDBHSA-N 2 2 399.564 3.380 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000047951586 1405007842 /nfs/dbraw/zinc/00/78/42/1405007842.db2.gz RLDMLKCFBIKIKA-SFHVURJKSA-N 2 2 399.564 3.380 20 0 GGADLP CCOC(=O)c1sc(NC(=O)C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1C ZINC000047977662 1405014452 /nfs/dbraw/zinc/01/44/52/1405014452.db2.gz FMEDJDPVZSGSKA-UHFFFAOYSA-N 2 2 395.569 3.226 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cn2c1 ZINC000048270817 1405122722 /nfs/dbraw/zinc/12/27/22/1405122722.db2.gz XIOHRFVGJOMSHB-ROUUACIJSA-N 2 2 388.581 3.360 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000048507481 1405211763 /nfs/dbraw/zinc/21/17/63/1405211763.db2.gz WGFZHSAPMVHTEZ-PMACEKPBSA-N 2 2 397.567 3.141 20 0 GGADLP O=C(C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)Nc1ccc(Br)cc1 ZINC000048749367 1405280951 /nfs/dbraw/zinc/28/09/51/1405280951.db2.gz XANQXAHSNHIFEX-UHFFFAOYSA-N 2 2 385.265 3.363 20 0 GGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC(=O)NC ZINC000048750050 1405281031 /nfs/dbraw/zinc/28/10/31/1405281031.db2.gz LRGNQXSARCXEHL-FQEVSTJZSA-N 2 2 378.476 3.238 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000049019303 1405333190 /nfs/dbraw/zinc/33/31/90/1405333190.db2.gz GCHDQHFNQZPMOH-OTWHNJEPSA-N 2 2 383.540 3.249 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000049019303 1405333205 /nfs/dbraw/zinc/33/32/05/1405333205.db2.gz GCHDQHFNQZPMOH-OTWHNJEPSA-N 2 2 383.540 3.249 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000049074857 1405338606 /nfs/dbraw/zinc/33/86/06/1405338606.db2.gz JHRGFECGWQJCOZ-QAPCUYQASA-N 2 2 375.904 3.061 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000049797744 1405420631 /nfs/dbraw/zinc/42/06/31/1405420631.db2.gz WYNFCDNLCCBMFY-OAQYLSRUSA-N 2 2 395.482 3.173 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1C ZINC000050448631 1405580859 /nfs/dbraw/zinc/58/08/59/1405580859.db2.gz AQQCNAHMXUJBSW-IAGOWNOFSA-N 2 2 397.519 3.246 20 0 GGADLP CC(C)c1cccc(O[C@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050797724 1405655309 /nfs/dbraw/zinc/65/53/09/1405655309.db2.gz DVPLSEIYWPHFNI-GOSISDBHSA-N 2 2 387.568 3.252 20 0 GGADLP Cc1cc(O[C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000050797682 1405655363 /nfs/dbraw/zinc/65/53/63/1405655363.db2.gz SOBILGRMMPEZEE-INIZCTEOSA-N 2 2 393.959 3.091 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCOc3ccc(Cl)cc3)CC2)CC1 ZINC000050797696 1405655491 /nfs/dbraw/zinc/65/54/91/1405655491.db2.gz TXFMJFPGRANUKP-UHFFFAOYSA-N 2 2 393.959 3.174 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)CC1 ZINC000050797754 1405655605 /nfs/dbraw/zinc/65/56/05/1405655605.db2.gz GVGLFHWSPZSBOP-SJORKVTESA-N 2 2 375.479 3.030 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCOc3ccccc3Cl)CC2)CC1 ZINC000050797404 1405656028 /nfs/dbraw/zinc/65/60/28/1405656028.db2.gz HZURLGXTSTUTAL-UHFFFAOYSA-N 2 2 393.959 3.174 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000050797837 1405657488 /nfs/dbraw/zinc/65/74/88/1405657488.db2.gz PIBUHTFDLNBWNB-GJZGRUSLSA-N 2 2 375.479 3.030 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)CC1 ZINC000050802246 1405658964 /nfs/dbraw/zinc/65/89/64/1405658964.db2.gz WTQMVRUBOYQWRZ-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050802472 1405659008 /nfs/dbraw/zinc/65/90/08/1405659008.db2.gz ZWCPSENMERDKAX-MRXNPFEDSA-N 2 2 393.959 3.091 20 0 GGADLP Cc1cc(OCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C(C)C ZINC000050801591 1405659290 /nfs/dbraw/zinc/65/92/90/1405659290.db2.gz AZUXOCBXFUUQMF-UHFFFAOYSA-N 2 2 387.568 3.172 20 0 GGADLP Cc1ccc2c(CC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)coc2c1C ZINC000050802679 1405660130 /nfs/dbraw/zinc/66/01/30/1405660130.db2.gz CKNRVPXUNHWQGA-UHFFFAOYSA-N 2 2 383.536 3.267 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3c[nH]c4ccccc34)CC2)CC1 ZINC000050802599 1405660340 /nfs/dbraw/zinc/66/03/40/1405660340.db2.gz IDFMSIBNKWGKLM-UHFFFAOYSA-N 2 2 382.552 3.165 20 0 GGADLP Cc1ccc(SCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000050802667 1405660590 /nfs/dbraw/zinc/66/05/90/1405660590.db2.gz SDQBBUFBEIIVBQ-UHFFFAOYSA-N 2 2 389.609 3.460 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000051238332 1405751267 /nfs/dbraw/zinc/75/12/67/1405751267.db2.gz GKKHFFFDIKZMGB-UHFFFAOYSA-N 2 2 388.600 3.061 20 0 GGADLP Cc1cc(C)c(CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000051275130 1405769464 /nfs/dbraw/zinc/76/94/64/1405769464.db2.gz KHVUHWQCDDINQH-UHFFFAOYSA-N 2 2 386.584 3.012 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC000051378355 1405800754 /nfs/dbraw/zinc/80/07/54/1405800754.db2.gz PXKZVCGVEMOFOC-UHFFFAOYSA-N 2 2 383.511 3.347 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(F)c2)CC1 ZINC000051378355 1405800756 /nfs/dbraw/zinc/80/07/56/1405800756.db2.gz PXKZVCGVEMOFOC-UHFFFAOYSA-N 2 2 383.511 3.347 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000051755067 1405860339 /nfs/dbraw/zinc/86/03/39/1405860339.db2.gz CROJGRQDWCHGPV-FQEVSTJZSA-N 2 2 382.508 3.343 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000051755829 1405860505 /nfs/dbraw/zinc/86/05/05/1405860505.db2.gz PUDAREDSBGGAMB-HOTGVXAUSA-N 2 2 376.545 3.264 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(Cc4ccccc4)CC3)CC2)CC1 ZINC000051758489 1405860675 /nfs/dbraw/zinc/86/06/75/1405860675.db2.gz LMSKSYFGEURRFG-UHFFFAOYSA-N 2 2 398.595 3.209 20 0 GGADLP CC(C)[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000051759230 1405860702 /nfs/dbraw/zinc/86/07/02/1405860702.db2.gz QDLLUTFSOAMMFR-NRFANRHFSA-N 2 2 390.547 3.381 20 0 GGADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H]1CCCc2ccccc21 ZINC000051759514 1405860747 /nfs/dbraw/zinc/86/07/47/1405860747.db2.gz XSQOPFSLLAIQOL-QFIPXVFZSA-N 2 2 384.568 3.264 20 0 GGADLP C[C@@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759116 1405860755 /nfs/dbraw/zinc/86/07/55/1405860755.db2.gz XNANKIDZYXVUCL-INIZCTEOSA-N 2 2 376.520 3.087 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3c3ccc(F)cc3)CC2)CC1 ZINC000051758976 1405860798 /nfs/dbraw/zinc/86/07/98/1405860798.db2.gz VLUGEUFVSJMQSA-NRFANRHFSA-N 2 2 388.531 3.231 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3ccsc3)CC2)CC1 ZINC000051760711 1405861197 /nfs/dbraw/zinc/86/11/97/1405861197.db2.gz HEAFTEUAEQSWJZ-LJQANCHMSA-N 2 2 376.570 3.153 20 0 GGADLP CC[C@@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760165 1405861349 /nfs/dbraw/zinc/86/13/49/1405861349.db2.gz QZEXRJZXXYOARQ-LJQANCHMSA-N 2 2 390.597 3.326 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCSc4ccccc43)CC2)CC1 ZINC000051760542 1405861486 /nfs/dbraw/zinc/86/14/86/1405861486.db2.gz MXNCVYZCYBSUAR-IBGZPJMESA-N 2 2 388.581 3.081 20 0 GGADLP C[C@H](c1cc(F)ccc1F)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777865 1405862596 /nfs/dbraw/zinc/86/25/96/1405862596.db2.gz JFLDVKDUOFVXFC-OAHLLOKOSA-N 2 2 394.510 3.226 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3C3CCCCC3)CC2)CC1 ZINC000051777851 1405862845 /nfs/dbraw/zinc/86/28/45/1405862845.db2.gz LDBMGKMCBYDDJQ-OAQYLSRUSA-N 2 2 376.589 3.299 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3Oc3cccnc3)CC2)CC1 ZINC000052027669 1405905576 /nfs/dbraw/zinc/90/55/76/1405905576.db2.gz WPPZOFSRIZWXNY-UHFFFAOYSA-N 2 2 394.519 3.162 20 0 GGADLP c1sc(COc2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000052441675 1406053097 /nfs/dbraw/zinc/05/30/97/1406053097.db2.gz KARCLGCHRJOMDC-UHFFFAOYSA-N 2 2 387.549 3.266 20 0 GGADLP CC1CC[NH+]([C@@H](CNC(=O)NCCCCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000052560187 1406083161 /nfs/dbraw/zinc/08/31/61/1406083161.db2.gz RBBBSMPIJYYFPV-NRFANRHFSA-N 2 2 383.540 3.436 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n(C(C)(C)C)n1 ZINC000052714038 1406134462 /nfs/dbraw/zinc/13/44/62/1406134462.db2.gz CIYHCHRKVFZVCB-UHFFFAOYSA-N 2 2 389.588 3.473 20 0 GGADLP Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052714034 1406134848 /nfs/dbraw/zinc/13/48/48/1406134848.db2.gz BHHNKBNAAKVZDH-UHFFFAOYSA-N 2 2 389.588 3.244 20 0 GGADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)o1 ZINC000056848495 1407455273 /nfs/dbraw/zinc/45/52/73/1407455273.db2.gz XEABVOQZWWKXMX-UHFFFAOYSA-N 2 2 395.507 3.106 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000056894454 1407468369 /nfs/dbraw/zinc/46/83/69/1407468369.db2.gz QPSIHTTYVTXBNR-HXUWFJFHSA-N 2 2 381.455 3.114 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000056895984 1407468955 /nfs/dbraw/zinc/46/89/55/1407468955.db2.gz AYIMMASQIIAEED-FQEVSTJZSA-N 2 2 381.455 3.114 20 0 GGADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895238 1407469178 /nfs/dbraw/zinc/46/91/78/1407469178.db2.gz KFOSBOQIMVTQEO-UHFFFAOYSA-N 2 2 389.503 3.468 20 0 GGADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056947079 1407480446 /nfs/dbraw/zinc/48/04/46/1407480446.db2.gz BDCIRPNXKUCYLT-GUDVDZBRSA-N 2 2 383.540 3.097 20 0 GGADLP CC1CC[NH+](Cc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)CC1 ZINC000057376539 1407600623 /nfs/dbraw/zinc/60/06/23/1407600623.db2.gz NVJOWRVAEVHNFB-UHFFFAOYSA-N 2 2 383.540 3.395 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000057376534 1407600694 /nfs/dbraw/zinc/60/06/94/1407600694.db2.gz DUTOBSWKONJHFO-IBGZPJMESA-N 2 2 383.540 3.395 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000057376534 1407600698 /nfs/dbraw/zinc/60/06/98/1407600698.db2.gz DUTOBSWKONJHFO-IBGZPJMESA-N 2 2 383.540 3.395 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[N@H+](C)Cc2ccccc2)c1C ZINC000057609146 1407664569 /nfs/dbraw/zinc/66/45/69/1407664569.db2.gz MHDANJVATASYCQ-UHFFFAOYSA-N 2 2 384.524 3.371 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[N@@H+](C)Cc2ccccc2)c1C ZINC000057609146 1407664576 /nfs/dbraw/zinc/66/45/76/1407664576.db2.gz MHDANJVATASYCQ-UHFFFAOYSA-N 2 2 384.524 3.371 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000057843952 1407736065 /nfs/dbraw/zinc/73/60/65/1407736065.db2.gz RLFGMHYUBYWSHR-UHFFFAOYSA-N 2 2 386.561 3.304 20 0 GGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000057843952 1407736077 /nfs/dbraw/zinc/73/60/77/1407736077.db2.gz RLFGMHYUBYWSHR-UHFFFAOYSA-N 2 2 386.561 3.304 20 0 GGADLP FC(F)Oc1cccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000057967555 1407762195 /nfs/dbraw/zinc/76/21/95/1407762195.db2.gz QAMYSEGQWYHQSF-UHFFFAOYSA-N 2 2 392.446 3.289 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000058016364 1407770668 /nfs/dbraw/zinc/77/06/68/1407770668.db2.gz QOBUDIHLEXVKPU-SFHVURJKSA-N 2 2 391.581 3.036 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000058016364 1407770674 /nfs/dbraw/zinc/77/06/74/1407770674.db2.gz QOBUDIHLEXVKPU-SFHVURJKSA-N 2 2 391.581 3.036 20 0 GGADLP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[N@@H+]1CCCC[C@H]1C ZINC000058806433 1407884024 /nfs/dbraw/zinc/88/40/24/1407884024.db2.gz XEVMOWKYMMMHIQ-WSTZPKSXSA-N 2 2 375.582 3.156 20 0 GGADLP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[N@H+]1CCCC[C@H]1C ZINC000058806433 1407884027 /nfs/dbraw/zinc/88/40/27/1407884027.db2.gz XEVMOWKYMMMHIQ-WSTZPKSXSA-N 2 2 375.582 3.156 20 0 GGADLP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058834549 1407888210 /nfs/dbraw/zinc/88/82/10/1407888210.db2.gz MWWNHODQCCBXKU-QWFCFKBJSA-N 2 2 375.582 3.013 20 0 GGADLP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058834549 1407888215 /nfs/dbraw/zinc/88/82/15/1407888215.db2.gz MWWNHODQCCBXKU-QWFCFKBJSA-N 2 2 375.582 3.013 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)CC(C)C ZINC000059297213 1407917722 /nfs/dbraw/zinc/91/77/22/1407917722.db2.gz NDIWUGNQSXHFLF-SFHVURJKSA-N 2 2 380.602 3.332 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000060546918 1407999696 /nfs/dbraw/zinc/99/96/96/1407999696.db2.gz ZZHYBEZWCSDNKP-KRWDZBQOSA-N 2 2 396.535 3.295 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1C ZINC000060546918 1407999700 /nfs/dbraw/zinc/99/97/00/1407999700.db2.gz ZZHYBEZWCSDNKP-KRWDZBQOSA-N 2 2 396.535 3.295 20 0 GGADLP CCOC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CC1 ZINC000060595329 1408008994 /nfs/dbraw/zinc/00/89/94/1408008994.db2.gz MQIWBKPNIMJHER-FQEVSTJZSA-N 2 2 393.959 3.094 20 0 GGADLP CC(C)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000060616730 1408012386 /nfs/dbraw/zinc/01/23/86/1408012386.db2.gz OPFLCWNTAHNMOH-UHFFFAOYSA-N 2 2 388.515 3.498 20 0 GGADLP CC(C)(CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000060616730 1408012394 /nfs/dbraw/zinc/01/23/94/1408012394.db2.gz OPFLCWNTAHNMOH-UHFFFAOYSA-N 2 2 388.515 3.498 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCNc2cccc[nH+]2)C1 ZINC000060857686 1408043430 /nfs/dbraw/zinc/04/34/30/1408043430.db2.gz LGPYUWLOPCVATF-OALUTQOASA-N 2 2 395.551 3.471 20 0 GGADLP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cccc(OC)c2OC)CC1 ZINC000061070302 1408074262 /nfs/dbraw/zinc/07/42/62/1408074262.db2.gz SNRWDBLTUGYPQD-UHFFFAOYSA-N 2 2 383.536 3.131 20 0 GGADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000176382995 1428287728 /nfs/dbraw/zinc/28/77/28/1428287728.db2.gz PKCDSXLQELQXGD-XXBNENTESA-N 2 2 398.595 3.380 20 0 GGADLP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000176391661 1428294297 /nfs/dbraw/zinc/29/42/97/1428294297.db2.gz IBHVKHWLJZGRAF-UHFFFAOYSA-N 2 2 397.548 3.266 20 0 GGADLP CCC[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Cc1ccccc1 ZINC000061780734 1408174074 /nfs/dbraw/zinc/17/40/74/1408174074.db2.gz JGBIGJQUDOCJHO-UHFFFAOYSA-N 2 2 387.568 3.050 20 0 GGADLP CCC[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)Cc1ccccc1 ZINC000061780734 1408174083 /nfs/dbraw/zinc/17/40/83/1408174083.db2.gz JGBIGJQUDOCJHO-UHFFFAOYSA-N 2 2 387.568 3.050 20 0 GGADLP O=C(NCCCCn1cc[nH+]c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791133 1408177003 /nfs/dbraw/zinc/17/70/03/1408177003.db2.gz XVPNKUAGEZWCNL-UHFFFAOYSA-N 2 2 387.553 3.076 20 0 GGADLP CCOc1c(Br)cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc1OC ZINC000062254419 1408224916 /nfs/dbraw/zinc/22/49/16/1408224916.db2.gz XBZWMPSGKZYLKN-CYBMUJFWSA-N 2 2 382.302 3.479 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000176398715 1428301890 /nfs/dbraw/zinc/30/18/90/1428301890.db2.gz HORPKNCSZRITHW-NRFANRHFSA-N 2 2 395.551 3.269 20 0 GGADLP CC[C@@H](C)[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000062361500 1408243828 /nfs/dbraw/zinc/24/38/28/1408243828.db2.gz JGBSXQRNOZEQJI-HXUWFJFHSA-N 2 2 380.536 3.421 20 0 GGADLP CC[C@@H](C)[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccccc1 ZINC000062361500 1408243834 /nfs/dbraw/zinc/24/38/34/1408243834.db2.gz JGBSXQRNOZEQJI-HXUWFJFHSA-N 2 2 380.536 3.421 20 0 GGADLP COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1C ZINC000063916439 1408444816 /nfs/dbraw/zinc/44/48/16/1408444816.db2.gz KSFSUDWKMLFZAJ-UHFFFAOYSA-N 2 2 397.450 3.470 20 0 GGADLP COc1cc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)ccc1SC ZINC000063914548 1408445088 /nfs/dbraw/zinc/44/50/88/1408445088.db2.gz YAHHACBOHDEWCB-UHFFFAOYSA-N 2 2 399.560 3.095 20 0 GGADLP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176454062 1428325256 /nfs/dbraw/zinc/32/52/56/1428325256.db2.gz ZSXYGZOSKKZISF-GOSISDBHSA-N 2 2 375.561 3.060 20 0 GGADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176454062 1428325263 /nfs/dbraw/zinc/32/52/63/1428325263.db2.gz ZSXYGZOSKKZISF-GOSISDBHSA-N 2 2 375.561 3.060 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)c2C1 ZINC000064301146 1408531550 /nfs/dbraw/zinc/53/15/50/1408531550.db2.gz IPTHDDWABIZPOS-GOSISDBHSA-N 2 2 394.563 3.465 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)C[NH+]3CCCCC3)c2C1 ZINC000064301146 1408531554 /nfs/dbraw/zinc/53/15/54/1408531554.db2.gz IPTHDDWABIZPOS-GOSISDBHSA-N 2 2 394.563 3.465 20 0 GGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065014067 1408636120 /nfs/dbraw/zinc/63/61/20/1408636120.db2.gz YJMCCKUGKORWKW-UHFFFAOYSA-N 2 2 392.503 3.078 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[NH+](C)C)cc1 ZINC000065466421 1408673303 /nfs/dbraw/zinc/67/33/03/1408673303.db2.gz GWMBQNMLJCAJGT-FQEVSTJZSA-N 2 2 381.524 3.092 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000065469599 1408673987 /nfs/dbraw/zinc/67/39/87/1408673987.db2.gz CTZRDCBWOHFICD-QFIPXVFZSA-N 2 2 391.519 3.342 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccco1 ZINC000065481798 1408676513 /nfs/dbraw/zinc/67/65/13/1408676513.db2.gz FXAAHXLPFDJEPL-GOSISDBHSA-N 2 2 396.495 3.051 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccco1 ZINC000065482362 1408676665 /nfs/dbraw/zinc/67/66/65/1408676665.db2.gz OPRVTJNTEQHRIO-HXUWFJFHSA-N 2 2 395.507 3.407 20 0 GGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000065521877 1408684013 /nfs/dbraw/zinc/68/40/13/1408684013.db2.gz VIQQOBMVTSVIMG-ICSRJNTNSA-N 2 2 398.576 3.411 20 0 GGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000065521877 1408684020 /nfs/dbraw/zinc/68/40/20/1408684020.db2.gz VIQQOBMVTSVIMG-ICSRJNTNSA-N 2 2 398.576 3.411 20 0 GGADLP Fc1cc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)ccc1Cl ZINC000065933699 1408757050 /nfs/dbraw/zinc/75/70/50/1408757050.db2.gz TWXPPFGXQVWDML-UHFFFAOYSA-N 2 2 378.875 3.480 20 0 GGADLP CCc1cccc(CC)c1NC(=S)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000066007477 1408772826 /nfs/dbraw/zinc/77/28/26/1408772826.db2.gz KXJMTFUYFYHTBI-UHFFFAOYSA-N 2 2 376.614 3.466 20 0 GGADLP CCc1cccc(CC)c1NC(=S)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000066007477 1408772831 /nfs/dbraw/zinc/77/28/31/1408772831.db2.gz KXJMTFUYFYHTBI-UHFFFAOYSA-N 2 2 376.614 3.466 20 0 GGADLP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066202965 1408789895 /nfs/dbraw/zinc/78/98/95/1408789895.db2.gz ILOJSPYAZQJDOF-KURKYZTESA-N 2 2 376.545 3.148 20 0 GGADLP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066202965 1408789899 /nfs/dbraw/zinc/78/98/99/1408789899.db2.gz ILOJSPYAZQJDOF-KURKYZTESA-N 2 2 376.545 3.148 20 0 GGADLP CC[C@@H](C)[NH+](C)CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066202965 1408789902 /nfs/dbraw/zinc/78/99/02/1408789902.db2.gz ILOJSPYAZQJDOF-KURKYZTESA-N 2 2 376.545 3.148 20 0 GGADLP CC[C@@H](C)[NH+](C)CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066202965 1408789910 /nfs/dbraw/zinc/78/99/10/1408789910.db2.gz ILOJSPYAZQJDOF-KURKYZTESA-N 2 2 376.545 3.148 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(C(C)(C)C)n3)CC2)CC1 ZINC000066568294 1408858434 /nfs/dbraw/zinc/85/84/34/1408858434.db2.gz DSPHPITYHPMGGQ-UHFFFAOYSA-N 2 2 392.613 3.207 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000066568083 1408858484 /nfs/dbraw/zinc/85/84/84/1408858484.db2.gz LMFMSILXXBFCRI-MRXNPFEDSA-N 2 2 379.495 3.292 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000066568460 1408859033 /nfs/dbraw/zinc/85/90/33/1408859033.db2.gz CRHKPPOUKUDKLT-UHFFFAOYSA-N 2 2 381.923 3.245 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000066568562 1408859316 /nfs/dbraw/zinc/85/93/16/1408859316.db2.gz CTZLFGOHRKRQIG-INIZCTEOSA-N 2 2 379.495 3.292 20 0 GGADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066986195 1408972467 /nfs/dbraw/zinc/97/24/67/1408972467.db2.gz NARMTZQXYRBEEM-UHFFFAOYSA-N 2 2 391.519 3.188 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000066986198 1408972633 /nfs/dbraw/zinc/97/26/33/1408972633.db2.gz MHNXWBLWQGZMCL-UHFFFAOYSA-N 2 2 399.564 3.033 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000067122207 1409013380 /nfs/dbraw/zinc/01/33/80/1409013380.db2.gz BNACZYYUKCUGRG-QFIPXVFZSA-N 2 2 396.579 3.408 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3csc(-c4ccsc4)n3)ccn2)CC1 ZINC000067189121 1409036438 /nfs/dbraw/zinc/03/64/38/1409036438.db2.gz MVMSSYVATQYEOP-UHFFFAOYSA-N 2 2 385.562 3.308 20 0 GGADLP CC(C)[C@H](SCc1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000067191423 1409037151 /nfs/dbraw/zinc/03/71/51/1409037151.db2.gz UZQAYEKAAOLGJQ-NRFANRHFSA-N 2 2 391.625 3.429 20 0 GGADLP CC(C)[C@H](SCc1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000067191423 1409037155 /nfs/dbraw/zinc/03/71/55/1409037155.db2.gz UZQAYEKAAOLGJQ-NRFANRHFSA-N 2 2 391.625 3.429 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000067645479 1409194395 /nfs/dbraw/zinc/19/43/95/1409194395.db2.gz QVAJGEWDGPVQJZ-UHFFFAOYSA-N 2 2 381.455 3.072 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1 ZINC000067646182 1409195066 /nfs/dbraw/zinc/19/50/66/1409195066.db2.gz FMUIRJYYFZKFOQ-FQEVSTJZSA-N 2 2 399.445 3.253 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067645580 1409195209 /nfs/dbraw/zinc/19/52/09/1409195209.db2.gz CQXTWJIBUXOUOL-LJQANCHMSA-N 2 2 393.466 3.085 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067645580 1409195216 /nfs/dbraw/zinc/19/52/16/1409195216.db2.gz CQXTWJIBUXOUOL-LJQANCHMSA-N 2 2 393.466 3.085 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645844 1409195246 /nfs/dbraw/zinc/19/52/46/1409195246.db2.gz WXNJLWWVEPCNNW-QGZVFWFLSA-N 2 2 387.503 3.465 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645844 1409195252 /nfs/dbraw/zinc/19/52/52/1409195252.db2.gz WXNJLWWVEPCNNW-QGZVFWFLSA-N 2 2 387.503 3.465 20 0 GGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000067645825 1409195393 /nfs/dbraw/zinc/19/53/93/1409195393.db2.gz QLDKAMPRBROLHD-QGZVFWFLSA-N 2 2 387.503 3.323 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000067645825 1409195396 /nfs/dbraw/zinc/19/53/96/1409195396.db2.gz QLDKAMPRBROLHD-QGZVFWFLSA-N 2 2 387.503 3.323 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000067645643 1409195420 /nfs/dbraw/zinc/19/54/20/1409195420.db2.gz ZDNBJIBTICQAFI-FQEVSTJZSA-N 2 2 381.455 3.114 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[NH+](C)C)cc1 ZINC000067704467 1409209816 /nfs/dbraw/zinc/20/98/16/1409209816.db2.gz GWMBQNMLJCAJGT-HXUWFJFHSA-N 2 2 381.524 3.092 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[NH+](C)C)cc1 ZINC000067704485 1409209955 /nfs/dbraw/zinc/20/99/55/1409209955.db2.gz JCILYBIXBHROMK-OAQYLSRUSA-N 2 2 395.551 3.482 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000067708906 1409211904 /nfs/dbraw/zinc/21/19/04/1409211904.db2.gz OFNSYGQFMBWZPG-OALUTQOASA-N 2 2 389.590 3.257 20 0 GGADLP O=C(CC[N@H+](C1CC1)[C@@H]1CCc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000067712326 1409213304 /nfs/dbraw/zinc/21/33/04/1409213304.db2.gz GFOPFEMDTKGCSL-JOCHJYFZSA-N 2 2 390.531 3.272 20 0 GGADLP O=C(CC[N@@H+](C1CC1)[C@@H]1CCc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000067712326 1409213312 /nfs/dbraw/zinc/21/33/12/1409213312.db2.gz GFOPFEMDTKGCSL-JOCHJYFZSA-N 2 2 390.531 3.272 20 0 GGADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000067736346 1409218235 /nfs/dbraw/zinc/21/82/35/1409218235.db2.gz BKIVSXNUJGUQJY-OTWHNJEPSA-N 2 2 388.556 3.148 20 0 GGADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000067736346 1409218239 /nfs/dbraw/zinc/21/82/39/1409218239.db2.gz BKIVSXNUJGUQJY-OTWHNJEPSA-N 2 2 388.556 3.148 20 0 GGADLP CC(C)[NH+]1CC[C@@H](CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000067736346 1409218243 /nfs/dbraw/zinc/21/82/43/1409218243.db2.gz BKIVSXNUJGUQJY-OTWHNJEPSA-N 2 2 388.556 3.148 20 0 GGADLP CC(C)[NH+]1CC[C@@H](CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000067736346 1409218247 /nfs/dbraw/zinc/21/82/47/1409218247.db2.gz BKIVSXNUJGUQJY-OTWHNJEPSA-N 2 2 388.556 3.148 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000068229885 1409335604 /nfs/dbraw/zinc/33/56/04/1409335604.db2.gz PNMJLQXKDSADPV-UHFFFAOYSA-N 2 2 379.504 3.367 20 0 GGADLP c1cnc2ccc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)cc2c1 ZINC000068411961 1409394713 /nfs/dbraw/zinc/39/47/13/1409394713.db2.gz KEJPMZVHBHXKJY-UHFFFAOYSA-N 2 2 377.488 3.236 20 0 GGADLP COc1cccc2cc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)oc21 ZINC000068411941 1409395118 /nfs/dbraw/zinc/39/51/18/1409395118.db2.gz ZJDYGWZHALGGQX-UHFFFAOYSA-N 2 2 396.487 3.442 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000068562152 1409439443 /nfs/dbraw/zinc/43/94/43/1409439443.db2.gz GLBBVNDXGQCIQW-HNNXBMFYSA-N 2 2 397.445 3.064 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000068637510 1409452906 /nfs/dbraw/zinc/45/29/06/1409452906.db2.gz NKGPWBPLSSBPDX-FQEVSTJZSA-N 2 2 382.508 3.122 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069008105 1409542714 /nfs/dbraw/zinc/54/27/14/1409542714.db2.gz QHLYQCWCOVMNCH-JOCHJYFZSA-N 2 2 379.504 3.122 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069008105 1409542716 /nfs/dbraw/zinc/54/27/16/1409542716.db2.gz QHLYQCWCOVMNCH-JOCHJYFZSA-N 2 2 379.504 3.122 20 0 GGADLP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000069029144 1409546949 /nfs/dbraw/zinc/54/69/49/1409546949.db2.gz PBRNQFYEAVZRBI-QGZVFWFLSA-N 2 2 393.959 3.328 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CSC(F)F)o3)cn2)CC1 ZINC000069676475 1409673526 /nfs/dbraw/zinc/67/35/26/1409673526.db2.gz DZWMWZWDUBGAMC-UHFFFAOYSA-N 2 2 382.480 3.172 20 0 GGADLP COc1cccc2cc(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)oc21 ZINC000069785331 1409698219 /nfs/dbraw/zinc/69/82/19/1409698219.db2.gz PZPXUYLTJHSVFB-UHFFFAOYSA-N 2 2 379.504 3.479 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1cccs1 ZINC000069975734 1409733679 /nfs/dbraw/zinc/73/36/79/1409733679.db2.gz LDWKIQOBKIXUTL-MJGOQNOKSA-N 2 2 389.590 3.257 20 0 GGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000073209299 1409858724 /nfs/dbraw/zinc/85/87/24/1409858724.db2.gz HPPLPQQMWLXLGG-PMACEKPBSA-N 2 2 384.568 3.298 20 0 GGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000073209299 1409858725 /nfs/dbraw/zinc/85/87/25/1409858725.db2.gz HPPLPQQMWLXLGG-PMACEKPBSA-N 2 2 384.568 3.298 20 0 GGADLP Cc1cccn2c(=O)cc(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)nc12 ZINC000074322286 1409871708 /nfs/dbraw/zinc/87/17/08/1409871708.db2.gz FDHXFXHCLNSURM-UHFFFAOYSA-N 2 2 376.504 3.099 20 0 GGADLP Cc1cccn2c(=O)cc(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)nc12 ZINC000074322286 1409871709 /nfs/dbraw/zinc/87/17/09/1409871709.db2.gz FDHXFXHCLNSURM-UHFFFAOYSA-N 2 2 376.504 3.099 20 0 GGADLP Cc1ccsc1CN(C)C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000074768285 1409876395 /nfs/dbraw/zinc/87/63/95/1409876395.db2.gz HVGINSJGQXMFLS-UHFFFAOYSA-N 2 2 378.586 3.148 20 0 GGADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000075007937 1409880022 /nfs/dbraw/zinc/88/00/22/1409880022.db2.gz XLXPGASKYPDPBO-INIZCTEOSA-N 2 2 381.948 3.490 20 0 GGADLP Cc1ccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000075820314 1409883186 /nfs/dbraw/zinc/88/31/86/1409883186.db2.gz KRVSOIIRGZTMRE-HSZRJFAPSA-N 2 2 376.504 3.344 20 0 GGADLP CC[N@@H+](CC(=O)N[C@@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108937 1409885368 /nfs/dbraw/zinc/88/53/68/1409885368.db2.gz WYURUBSZGKLNHC-IBGZPJMESA-N 2 2 380.536 3.497 20 0 GGADLP CC[N@H+](CC(=O)N[C@@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108937 1409885371 /nfs/dbraw/zinc/88/53/71/1409885371.db2.gz WYURUBSZGKLNHC-IBGZPJMESA-N 2 2 380.536 3.497 20 0 GGADLP CC[N@@H+](CC(=O)N[C@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108939 1409885519 /nfs/dbraw/zinc/88/55/19/1409885519.db2.gz WYURUBSZGKLNHC-LJQANCHMSA-N 2 2 380.536 3.497 20 0 GGADLP CC[N@H+](CC(=O)N[C@H](C)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108939 1409885526 /nfs/dbraw/zinc/88/55/26/1409885526.db2.gz WYURUBSZGKLNHC-LJQANCHMSA-N 2 2 380.536 3.497 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000077202561 1409894714 /nfs/dbraw/zinc/89/47/14/1409894714.db2.gz OPELEKABJWNLOI-UHFFFAOYSA-N 2 2 380.536 3.428 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000077202561 1409894715 /nfs/dbraw/zinc/89/47/15/1409894715.db2.gz OPELEKABJWNLOI-UHFFFAOYSA-N 2 2 380.536 3.428 20 0 GGADLP Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000078485965 1409920329 /nfs/dbraw/zinc/92/03/29/1409920329.db2.gz QNMQNTWVOYYZKF-QHCPKHFHSA-N 2 2 376.504 3.344 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NCC2CC[NH+](CCC(C)C)CC2)c1C ZINC000080105647 1410001126 /nfs/dbraw/zinc/00/11/26/1410001126.db2.gz GGBCFEQZDLKMEX-UHFFFAOYSA-N 2 2 376.545 3.264 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000080490345 1410007006 /nfs/dbraw/zinc/00/70/06/1410007006.db2.gz OZXKYKFCOUHFKZ-QZTJIDSGSA-N 2 2 375.513 3.271 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000080490345 1410007014 /nfs/dbraw/zinc/00/70/14/1410007014.db2.gz OZXKYKFCOUHFKZ-QZTJIDSGSA-N 2 2 375.513 3.271 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000083691272 1410032620 /nfs/dbraw/zinc/03/26/20/1410032620.db2.gz LRURNUKHYOXSKL-UHFFFAOYSA-N 2 2 379.495 3.310 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2cc(F)ccc2F)C2CCCC2)CC1 ZINC000083691272 1410032627 /nfs/dbraw/zinc/03/26/27/1410032627.db2.gz LRURNUKHYOXSKL-UHFFFAOYSA-N 2 2 379.495 3.310 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215298 1410052728 /nfs/dbraw/zinc/05/27/28/1410052728.db2.gz DBGSLCJLDNJWGY-CVDCTZTESA-N 3 2 379.552 3.193 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215298 1410052733 /nfs/dbraw/zinc/05/27/33/1410052733.db2.gz DBGSLCJLDNJWGY-CVDCTZTESA-N 3 2 379.552 3.193 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000090003656 1410060693 /nfs/dbraw/zinc/06/06/93/1410060693.db2.gz QAATUFBHOLSDIU-CTNGQTDRSA-N 2 2 382.552 3.231 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000090003656 1410060702 /nfs/dbraw/zinc/06/07/02/1410060702.db2.gz QAATUFBHOLSDIU-CTNGQTDRSA-N 2 2 382.552 3.231 20 0 GGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090525624 1410064112 /nfs/dbraw/zinc/06/41/12/1410064112.db2.gz UIZHQDBFPNUYRZ-BJKOFHAPSA-N 3 2 385.596 3.051 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090525877 1410064170 /nfs/dbraw/zinc/06/41/70/1410064170.db2.gz FFXRWDDCGWFWEC-CDIGIKMISA-N 3 2 385.596 3.397 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090525877 1410064177 /nfs/dbraw/zinc/06/41/77/1410064177.db2.gz FFXRWDDCGWFWEC-CDIGIKMISA-N 3 2 385.596 3.397 20 0 GGADLP Cc1ccccc1[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000091313943 1410072740 /nfs/dbraw/zinc/07/27/40/1410072740.db2.gz VGCVOIXSVQUMIF-HSZRJFAPSA-N 2 2 378.520 3.170 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091343555 1410073202 /nfs/dbraw/zinc/07/32/02/1410073202.db2.gz GAZKCUWJHKUTDG-HUUCEWRRSA-N 2 2 376.932 3.378 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091343553 1410073534 /nfs/dbraw/zinc/07/35/34/1410073534.db2.gz GAZKCUWJHKUTDG-CABCVRRESA-N 2 2 376.932 3.378 20 0 GGADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ncc(Cl)n3C)CC2)c1C ZINC000091708741 1410078663 /nfs/dbraw/zinc/07/86/63/1410078663.db2.gz OOEXNXHHKOQPIB-UHFFFAOYSA-N 2 2 391.947 3.190 20 0 GGADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ncc(Cl)n3C)CC2)c1C ZINC000091708741 1410078666 /nfs/dbraw/zinc/07/86/66/1410078666.db2.gz OOEXNXHHKOQPIB-UHFFFAOYSA-N 2 2 391.947 3.190 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccncc2)CC1 ZINC000091986495 1410095751 /nfs/dbraw/zinc/09/57/51/1410095751.db2.gz UKUDDOXVNQIVNL-LJQANCHMSA-N 2 2 380.536 3.164 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccncc2)CC1 ZINC000091986495 1410095757 /nfs/dbraw/zinc/09/57/57/1410095757.db2.gz UKUDDOXVNQIVNL-LJQANCHMSA-N 2 2 380.536 3.164 20 0 GGADLP CC(C)C[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000092404296 1410152039 /nfs/dbraw/zinc/15/20/39/1410152039.db2.gz VMWKLAXDZIZSHH-SFTDATJTSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)C[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000092404296 1410152046 /nfs/dbraw/zinc/15/20/46/1410152046.db2.gz VMWKLAXDZIZSHH-SFTDATJTSA-N 2 2 379.976 3.422 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1C ZINC000092587970 1410177148 /nfs/dbraw/zinc/17/71/48/1410177148.db2.gz DTWUNWWEYRUPTN-FXAWDEMLSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1C ZINC000092587970 1410177154 /nfs/dbraw/zinc/17/71/54/1410177154.db2.gz DTWUNWWEYRUPTN-FXAWDEMLSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000092587970 1410177159 /nfs/dbraw/zinc/17/71/59/1410177159.db2.gz DTWUNWWEYRUPTN-FXAWDEMLSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000092587970 1410177163 /nfs/dbraw/zinc/17/71/63/1410177163.db2.gz DTWUNWWEYRUPTN-FXAWDEMLSA-N 2 2 390.572 3.149 20 0 GGADLP COc1cc(OC)c(OC)cc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645267 1410182223 /nfs/dbraw/zinc/18/22/23/1410182223.db2.gz PJPVTDFJKHLTPJ-UHFFFAOYSA-N 2 2 399.535 3.246 20 0 GGADLP COc1cc(OC)c(OC)cc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645267 1410182236 /nfs/dbraw/zinc/18/22/36/1410182236.db2.gz PJPVTDFJKHLTPJ-UHFFFAOYSA-N 2 2 399.535 3.246 20 0 GGADLP C[N@H+](Cc1ccccc1N1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645334 1410182500 /nfs/dbraw/zinc/18/25/00/1410182500.db2.gz NOOXXJFIBZRVLV-UHFFFAOYSA-N 2 2 394.563 3.057 20 0 GGADLP C[N@@H+](Cc1ccccc1N1CCOCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645334 1410182511 /nfs/dbraw/zinc/18/25/11/1410182511.db2.gz NOOXXJFIBZRVLV-UHFFFAOYSA-N 2 2 394.563 3.057 20 0 GGADLP CCOc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1OC ZINC000092665210 1410185027 /nfs/dbraw/zinc/18/50/27/1410185027.db2.gz YCQCSGMLLHDGEQ-OALUTQOASA-N 2 2 375.557 3.084 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000092665365 1410185296 /nfs/dbraw/zinc/18/52/96/1410185296.db2.gz ACISPCJFQZCGHG-QZTJIDSGSA-N 2 2 385.531 3.206 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1OC(C)C ZINC000092664679 1410185315 /nfs/dbraw/zinc/18/53/15/1410185315.db2.gz XLAWTMMQDFJTJL-PMACEKPBSA-N 2 2 389.584 3.473 20 0 GGADLP CCOc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC ZINC000092665208 1410185490 /nfs/dbraw/zinc/18/54/90/1410185490.db2.gz YCQCSGMLLHDGEQ-KDURUIRLSA-N 2 2 375.557 3.084 20 0 GGADLP CCOc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC ZINC000092665208 1410185498 /nfs/dbraw/zinc/18/54/98/1410185498.db2.gz YCQCSGMLLHDGEQ-KDURUIRLSA-N 2 2 375.557 3.084 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000092665474 1410186252 /nfs/dbraw/zinc/18/62/52/1410186252.db2.gz YENCIOUYMZYRTE-QZTJIDSGSA-N 2 2 385.531 3.206 20 0 GGADLP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2)no1 ZINC000092812859 1410202969 /nfs/dbraw/zinc/20/29/69/1410202969.db2.gz PJYSDUSPFDVIER-GOSISDBHSA-N 2 2 379.464 3.286 20 0 GGADLP Cc1nc(COc2ccc(C[N@H+]3CC[C@H](CNc4cccc[nH+]4)C3)cc2)no1 ZINC000092812859 1410202980 /nfs/dbraw/zinc/20/29/80/1410202980.db2.gz PJYSDUSPFDVIER-GOSISDBHSA-N 2 2 379.464 3.286 20 0 GGADLP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(-c2ccccc2)n1 ZINC000093062890 1410219388 /nfs/dbraw/zinc/21/93/88/1410219388.db2.gz PEBUMCLQFRLWFQ-UHFFFAOYSA-N 2 2 376.504 3.209 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](c3cccc(OC)c3)C2)CC1 ZINC000093080164 1410220376 /nfs/dbraw/zinc/22/03/76/1410220376.db2.gz KNRACIRQBIIWJT-XMMPIXPASA-N 2 2 395.547 3.411 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](c3cccc(OC)c3)C2)CC1 ZINC000093080164 1410220383 /nfs/dbraw/zinc/22/03/83/1410220383.db2.gz KNRACIRQBIIWJT-XMMPIXPASA-N 2 2 395.547 3.411 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)ccc3F)CC2)CC1 ZINC000093141855 1410226482 /nfs/dbraw/zinc/22/64/82/1410226482.db2.gz GJCVVKFXVLEOIR-UHFFFAOYSA-N 2 2 381.923 3.245 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000093141870 1410226603 /nfs/dbraw/zinc/22/66/03/1410226603.db2.gz IJZKNCRQZCMALB-UHFFFAOYSA-N 2 2 392.613 3.207 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccnc2)CC1 ZINC000093234252 1410227280 /nfs/dbraw/zinc/22/72/80/1410227280.db2.gz LCSCRGZOHUWCCR-LJQANCHMSA-N 2 2 380.536 3.164 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cccnc2)CC1 ZINC000093234252 1410227294 /nfs/dbraw/zinc/22/72/94/1410227294.db2.gz LCSCRGZOHUWCCR-LJQANCHMSA-N 2 2 380.536 3.164 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336907 1410236510 /nfs/dbraw/zinc/23/65/10/1410236510.db2.gz LNEZPCSTQVXGJV-OAQYLSRUSA-N 2 2 395.547 3.108 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336907 1410236516 /nfs/dbraw/zinc/23/65/16/1410236516.db2.gz LNEZPCSTQVXGJV-OAQYLSRUSA-N 2 2 395.547 3.108 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336907 1410236521 /nfs/dbraw/zinc/23/65/21/1410236521.db2.gz LNEZPCSTQVXGJV-OAQYLSRUSA-N 2 2 395.547 3.108 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336907 1410236524 /nfs/dbraw/zinc/23/65/24/1410236524.db2.gz LNEZPCSTQVXGJV-OAQYLSRUSA-N 2 2 395.547 3.108 20 0 GGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093821590 1410271919 /nfs/dbraw/zinc/27/19/19/1410271919.db2.gz FLNRIIACGYDBHD-INIZCTEOSA-N 2 2 388.585 3.310 20 0 GGADLP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093821590 1410271925 /nfs/dbraw/zinc/27/19/25/1410271925.db2.gz FLNRIIACGYDBHD-INIZCTEOSA-N 2 2 388.585 3.310 20 0 GGADLP C[C@H](N1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000093883218 1410279213 /nfs/dbraw/zinc/27/92/13/1410279213.db2.gz ZEWLNVUGBWEDQW-KRWDZBQOSA-N 2 2 398.517 3.285 20 0 GGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 ZINC000098144280 1410433244 /nfs/dbraw/zinc/43/32/44/1410433244.db2.gz STJLVRWFQJAZGO-DNVCBOLYSA-N 2 2 376.447 3.358 20 0 GGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 ZINC000098144280 1410433254 /nfs/dbraw/zinc/43/32/54/1410433254.db2.gz STJLVRWFQJAZGO-DNVCBOLYSA-N 2 2 376.447 3.358 20 0 GGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(OC(F)F)c1 ZINC000098144491 1410433837 /nfs/dbraw/zinc/43/38/37/1410433837.db2.gz SGUDZLYENJZRBL-HNAYVOBHSA-N 2 2 376.447 3.358 20 0 GGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(OC(F)F)c1 ZINC000098144491 1410433845 /nfs/dbraw/zinc/43/38/45/1410433845.db2.gz SGUDZLYENJZRBL-HNAYVOBHSA-N 2 2 376.447 3.358 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000101691572 1410491626 /nfs/dbraw/zinc/49/16/26/1410491626.db2.gz JWVOCASVGUPTBP-UHFFFAOYSA-N 2 2 395.547 3.364 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000101691572 1410491628 /nfs/dbraw/zinc/49/16/28/1410491628.db2.gz JWVOCASVGUPTBP-UHFFFAOYSA-N 2 2 395.547 3.364 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccco1 ZINC000101995561 1410540211 /nfs/dbraw/zinc/54/02/11/1410540211.db2.gz QJAZQUKIHPLWNA-LJQANCHMSA-N 2 2 381.480 3.348 20 0 GGADLP CCOc1cccc([C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000102008733 1410543116 /nfs/dbraw/zinc/54/31/16/1410543116.db2.gz DSKMXOCBSPGRIB-KRWDZBQOSA-N 2 2 388.556 3.004 20 0 GGADLP CCN(Cc1c(F)cccc1F)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000102013554 1410543487 /nfs/dbraw/zinc/54/34/87/1410543487.db2.gz XDGIJHFQQPWRHL-UHFFFAOYSA-N 2 2 394.510 3.055 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+]2CCCC2)o1 ZINC000102037640 1410547991 /nfs/dbraw/zinc/54/79/91/1410547991.db2.gz NKTVIQFQQFIKMJ-HXUWFJFHSA-N 2 2 393.491 3.410 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1C ZINC000102037511 1410548171 /nfs/dbraw/zinc/54/81/71/1410548171.db2.gz RTYTWSHLASYJRB-SFHVURJKSA-N 2 2 386.496 3.245 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC4(CCCCC4)CC3)CC2)CC1 ZINC000102564176 1410650890 /nfs/dbraw/zinc/65/08/90/1410650890.db2.gz YIYGSLJRWNHDMZ-UHFFFAOYSA-N 2 2 376.589 3.301 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3csc(-c4cccs4)n3)ccn2)CC1 ZINC000103169787 1410834385 /nfs/dbraw/zinc/83/43/85/1410834385.db2.gz WXZRBNVIXFMBKZ-UHFFFAOYSA-N 2 2 385.562 3.308 20 0 GGADLP CC[N@H+](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000103191831 1410836342 /nfs/dbraw/zinc/83/63/42/1410836342.db2.gz JOPYRRUWDHRENY-AUSIDOKSSA-N 2 2 395.547 3.217 20 0 GGADLP CC[N@@H+](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000103191831 1410836344 /nfs/dbraw/zinc/83/63/44/1410836344.db2.gz JOPYRRUWDHRENY-AUSIDOKSSA-N 2 2 395.547 3.217 20 0 GGADLP CC[NH+](C)[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000103191831 1410836346 /nfs/dbraw/zinc/83/63/46/1410836346.db2.gz JOPYRRUWDHRENY-AUSIDOKSSA-N 2 2 395.547 3.217 20 0 GGADLP CC[NH+](C)[C@@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000103191831 1410836347 /nfs/dbraw/zinc/83/63/47/1410836347.db2.gz JOPYRRUWDHRENY-AUSIDOKSSA-N 2 2 395.547 3.217 20 0 GGADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000103304485 1410844920 /nfs/dbraw/zinc/84/49/20/1410844920.db2.gz NBARHEGROSUFNP-UHFFFAOYSA-N 2 2 399.539 3.150 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccsc1 ZINC000103304863 1410844977 /nfs/dbraw/zinc/84/49/77/1410844977.db2.gz YOCXALJWKRBATH-GOSISDBHSA-N 2 2 375.542 3.374 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000103312108 1410846449 /nfs/dbraw/zinc/84/64/49/1410846449.db2.gz ZBSNPZLKXZAFAS-LJQANCHMSA-N 2 2 388.556 3.361 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+](C)Cc4ccccc43)cc2)C[C@@H](C)O1 ZINC000103411321 1410853947 /nfs/dbraw/zinc/85/39/47/1410853947.db2.gz NEUZRLMAEPGWBT-RTBURBONSA-N 2 2 393.531 3.388 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)cc2)C[C@@H](C)O1 ZINC000103411321 1410853953 /nfs/dbraw/zinc/85/39/53/1410853953.db2.gz NEUZRLMAEPGWBT-RTBURBONSA-N 2 2 393.531 3.388 20 0 GGADLP CC(C)(C)c1ccc(OCCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000104068354 1410884038 /nfs/dbraw/zinc/88/40/38/1410884038.db2.gz TZHOSDPWVCDMIL-NRFANRHFSA-N 2 2 387.568 3.167 20 0 GGADLP CC(C)(C)c1ccc(OCCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000104068354 1410884040 /nfs/dbraw/zinc/88/40/40/1410884040.db2.gz TZHOSDPWVCDMIL-NRFANRHFSA-N 2 2 387.568 3.167 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(-n4nc(C)cc4C)cc3)CC2)c1 ZINC000104716978 1410941288 /nfs/dbraw/zinc/94/12/88/1410941288.db2.gz LKWAJDHZKNAOMC-UHFFFAOYSA-N 2 2 377.492 3.215 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)c1 ZINC000104717645 1410942914 /nfs/dbraw/zinc/94/29/14/1410942914.db2.gz FFWSIWRQENIOIE-UHFFFAOYSA-N 2 2 392.862 3.034 20 0 GGADLP COc1ccc2ccccc2c1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105109106 1411029055 /nfs/dbraw/zinc/02/90/55/1411029055.db2.gz BASDCYVXOBSCEF-UHFFFAOYSA-N 2 2 398.551 3.016 20 0 GGADLP COc1ccc2ccccc2c1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105109106 1411029063 /nfs/dbraw/zinc/02/90/63/1411029063.db2.gz BASDCYVXOBSCEF-UHFFFAOYSA-N 2 2 398.551 3.016 20 0 GGADLP CC(C)Oc1cccc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000105132622 1411033461 /nfs/dbraw/zinc/03/34/61/1411033461.db2.gz XCTSXRLINOTTBT-GOSISDBHSA-N 2 2 390.572 3.202 20 0 GGADLP CC(C)Oc1cccc([C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000105132622 1411033468 /nfs/dbraw/zinc/03/34/68/1411033468.db2.gz XCTSXRLINOTTBT-GOSISDBHSA-N 2 2 390.572 3.202 20 0 GGADLP CC1(C)CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000105145721 1411034127 /nfs/dbraw/zinc/03/41/27/1411034127.db2.gz MZLORCBBRQHGQY-UHFFFAOYSA-N 2 2 395.551 3.068 20 0 GGADLP CC1(C)CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000105145721 1411034141 /nfs/dbraw/zinc/03/41/41/1411034141.db2.gz MZLORCBBRQHGQY-UHFFFAOYSA-N 2 2 395.551 3.068 20 0 GGADLP Cc1c2cc(F)ccc2oc1CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105191412 1411039736 /nfs/dbraw/zinc/03/97/36/1411039736.db2.gz OEVLMTJEZCQQFD-UHFFFAOYSA-N 2 2 390.503 3.048 20 0 GGADLP Cc1c2cc(F)ccc2oc1CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105191412 1411039745 /nfs/dbraw/zinc/03/97/45/1411039745.db2.gz OEVLMTJEZCQQFD-UHFFFAOYSA-N 2 2 390.503 3.048 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000105293989 1411051478 /nfs/dbraw/zinc/05/14/78/1411051478.db2.gz NNJVZVVJGDXQAW-HDICACEKSA-N 2 2 388.556 3.292 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000105293989 1411051490 /nfs/dbraw/zinc/05/14/90/1411051490.db2.gz NNJVZVVJGDXQAW-HDICACEKSA-N 2 2 388.556 3.292 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000105293989 1411051498 /nfs/dbraw/zinc/05/14/98/1411051498.db2.gz NNJVZVVJGDXQAW-HDICACEKSA-N 2 2 388.556 3.292 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000105293989 1411051508 /nfs/dbraw/zinc/05/15/08/1411051508.db2.gz NNJVZVVJGDXQAW-HDICACEKSA-N 2 2 388.556 3.292 20 0 GGADLP CN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000105350976 1411056562 /nfs/dbraw/zinc/05/65/62/1411056562.db2.gz LJPUBPQFBFCXMF-UHFFFAOYSA-N 2 2 388.556 3.247 20 0 GGADLP CN(CC[NH+]1CCOCC1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000105350976 1411056572 /nfs/dbraw/zinc/05/65/72/1411056572.db2.gz LJPUBPQFBFCXMF-UHFFFAOYSA-N 2 2 388.556 3.247 20 0 GGADLP COc1ccc(OC)c(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000105463047 1411069434 /nfs/dbraw/zinc/06/94/34/1411069434.db2.gz HOJXMJGTBJSCLD-MRXNPFEDSA-N 2 2 387.499 3.446 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000106213955 1411181200 /nfs/dbraw/zinc/18/12/00/1411181200.db2.gz MRYDIFNUQIZNNE-FUHWJXTLSA-N 2 2 398.507 3.271 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000106213955 1411181208 /nfs/dbraw/zinc/18/12/08/1411181208.db2.gz MRYDIFNUQIZNNE-FUHWJXTLSA-N 2 2 398.507 3.271 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106512241 1411227011 /nfs/dbraw/zinc/22/70/11/1411227011.db2.gz UJQLCPJGTAANNL-MRXNPFEDSA-N 2 2 389.931 3.136 20 0 GGADLP Cc1nc(C)c([C@H](C)N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000106551029 1411243571 /nfs/dbraw/zinc/24/35/71/1411243571.db2.gz OKZRNYOVWSPXEY-HNNXBMFYSA-N 2 2 393.601 3.021 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)nn(-c4ccccc4)c3Cl)C2)CC1 ZINC000107371790 1411366270 /nfs/dbraw/zinc/36/62/70/1411366270.db2.gz ATLWALYLJHLZKY-LJQANCHMSA-N 2 2 387.959 3.046 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)nn(-c4ccccc4)c3Cl)C2)CC1 ZINC000107371790 1411366277 /nfs/dbraw/zinc/36/62/77/1411366277.db2.gz ATLWALYLJHLZKY-LJQANCHMSA-N 2 2 387.959 3.046 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4ccc(C(C)C)cc4)no3)C2)CC1 ZINC000107372015 1411366486 /nfs/dbraw/zinc/36/64/86/1411366486.db2.gz UKJAAWFXBWSFIC-FQEVSTJZSA-N 2 2 383.540 3.072 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4ccc(C(C)C)cc4)no3)C2)CC1 ZINC000107372015 1411366489 /nfs/dbraw/zinc/36/64/89/1411366489.db2.gz UKJAAWFXBWSFIC-FQEVSTJZSA-N 2 2 383.540 3.072 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+](C)CCC3CCOCC3)n2)CC1 ZINC000177030280 1428560900 /nfs/dbraw/zinc/56/09/00/1428560900.db2.gz PXCYGOZVYZBQIB-UHFFFAOYSA-N 2 2 394.585 3.062 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+](C)CCC3CCOCC3)n2)CC1 ZINC000177030280 1428560903 /nfs/dbraw/zinc/56/09/03/1428560903.db2.gz PXCYGOZVYZBQIB-UHFFFAOYSA-N 2 2 394.585 3.062 20 0 GGADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(C)c1OC(F)F ZINC000107578697 1411389162 /nfs/dbraw/zinc/38/91/62/1411389162.db2.gz PVBVUEQLDMMOLM-UHFFFAOYSA-N 2 2 395.494 3.193 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107830316 1411417134 /nfs/dbraw/zinc/41/71/34/1411417134.db2.gz OIXBMZIRARGIJH-NRFANRHFSA-N 2 2 395.551 3.134 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3Cl)c2)C1 ZINC000108420623 1411495713 /nfs/dbraw/zinc/49/57/13/1411495713.db2.gz CAUUKJBBIXVTOH-KRWDZBQOSA-N 2 2 389.902 3.466 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3Cl)c2)C1 ZINC000108420623 1411495714 /nfs/dbraw/zinc/49/57/14/1411495714.db2.gz CAUUKJBBIXVTOH-KRWDZBQOSA-N 2 2 389.902 3.466 20 0 GGADLP CC[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000109033680 1411666482 /nfs/dbraw/zinc/66/64/82/1411666482.db2.gz JUYYIDDUARGDIJ-UHFFFAOYSA-N 2 2 399.366 3.305 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(OC)c2OC(C)C)nc[nH+]1 ZINC000109069788 1411674559 /nfs/dbraw/zinc/67/45/59/1411674559.db2.gz NUEVAEOLCIJBDC-KRWDZBQOSA-N 2 2 385.512 3.073 20 0 GGADLP CCOc1ccc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cc1OCC ZINC000109070226 1411675812 /nfs/dbraw/zinc/67/58/12/1411675812.db2.gz JEWGZOBYIUIJSV-QGZVFWFLSA-N 2 2 385.512 3.074 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2csc(-c3cccs3)n2)nc[nH+]1 ZINC000109070311 1411676081 /nfs/dbraw/zinc/67/60/81/1411676081.db2.gz LVUFZQQHVSCFAE-CQSZACIVSA-N 2 2 386.550 3.462 20 0 GGADLP CCOc1ccc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cc1OCC ZINC000109070224 1411676134 /nfs/dbraw/zinc/67/61/34/1411676134.db2.gz JEWGZOBYIUIJSV-KRWDZBQOSA-N 2 2 385.512 3.074 20 0 GGADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000109312616 1411738690 /nfs/dbraw/zinc/73/86/90/1411738690.db2.gz SWNSTEXOWUPLJT-JOCHJYFZSA-N 2 2 389.503 3.394 20 0 GGADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000109312616 1411738697 /nfs/dbraw/zinc/73/86/97/1411738697.db2.gz SWNSTEXOWUPLJT-JOCHJYFZSA-N 2 2 389.503 3.394 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NCC1(c2ccc(F)cc2)CCCC1 ZINC000109794287 1411810956 /nfs/dbraw/zinc/81/09/56/1411810956.db2.gz GCBJOGHQYCQVDD-UHFFFAOYSA-N 2 2 384.499 3.287 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CCC(n4cc[nH+]c4)CC3)ccc2c1 ZINC000109793907 1411811013 /nfs/dbraw/zinc/81/10/13/1411811013.db2.gz CNOZLRMKORWLIW-UHFFFAOYSA-N 2 2 392.503 3.340 20 0 GGADLP CC(C)C[NH+]1CCC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000110069653 1411829345 /nfs/dbraw/zinc/82/93/45/1411829345.db2.gz UMMJUDLTTFYHAV-UHFFFAOYSA-N 2 2 385.512 3.204 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cccs1 ZINC000110069347 1411829571 /nfs/dbraw/zinc/82/95/71/1411829571.db2.gz IPQYYGCAOFEPIY-KRWDZBQOSA-N 2 2 399.520 3.448 20 0 GGADLP Cc1cc(N2CC[NH+](Cc3cc4ccccc4[nH]c3=O)CC2)nc(C(C)C)[nH+]1 ZINC000110105816 1411831667 /nfs/dbraw/zinc/83/16/67/1411831667.db2.gz OIMZRXUSKJHWCF-UHFFFAOYSA-N 2 2 377.492 3.072 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000110122616 1411832249 /nfs/dbraw/zinc/83/22/49/1411832249.db2.gz WMVRVRLKYLUXFQ-HXUWFJFHSA-N 2 2 383.540 3.139 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000110122616 1411832251 /nfs/dbraw/zinc/83/22/51/1411832251.db2.gz WMVRVRLKYLUXFQ-HXUWFJFHSA-N 2 2 383.540 3.139 20 0 GGADLP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110153644 1411834678 /nfs/dbraw/zinc/83/46/78/1411834678.db2.gz VKLBMQUIXPRNHY-JQVVWYNYSA-N 2 2 387.568 3.397 20 0 GGADLP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000110153644 1411834679 /nfs/dbraw/zinc/83/46/79/1411834679.db2.gz VKLBMQUIXPRNHY-JQVVWYNYSA-N 2 2 387.568 3.397 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000110226521 1411838703 /nfs/dbraw/zinc/83/87/03/1411838703.db2.gz CVSSGMRLSFZKEX-IBGZPJMESA-N 2 2 395.551 3.070 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000110226521 1411838705 /nfs/dbraw/zinc/83/87/05/1411838705.db2.gz CVSSGMRLSFZKEX-IBGZPJMESA-N 2 2 395.551 3.070 20 0 GGADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000110224844 1411838755 /nfs/dbraw/zinc/83/87/55/1411838755.db2.gz LPWNVKKSYSKIKA-UHFFFAOYSA-N 2 2 389.503 3.413 20 0 GGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000110429935 1411850457 /nfs/dbraw/zinc/85/04/57/1411850457.db2.gz ACALFFOARNSVHY-HZPDHXFCSA-N 2 2 393.959 3.408 20 0 GGADLP OC1CC[NH+](Cc2ccc(CNc3cc(N4CCCCC4)nc[nH+]3)cc2)CC1 ZINC000110541731 1411856819 /nfs/dbraw/zinc/85/68/19/1411856819.db2.gz NQCNYWPLZLBIJJ-UHFFFAOYSA-N 2 2 381.524 3.036 20 0 GGADLP OC1CC[NH+](Cc2ccc(CNc3cc(N4CCCCC4)[nH+]cn3)cc2)CC1 ZINC000110541731 1411856820 /nfs/dbraw/zinc/85/68/20/1411856820.db2.gz NQCNYWPLZLBIJJ-UHFFFAOYSA-N 2 2 381.524 3.036 20 0 GGADLP C[C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110624093 1411860777 /nfs/dbraw/zinc/86/07/77/1411860777.db2.gz CJEOZRIUGWTBHQ-IBGZPJMESA-N 2 2 394.563 3.221 20 0 GGADLP CC[C@H](Sc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000110674668 1411863427 /nfs/dbraw/zinc/86/34/27/1411863427.db2.gz SABILLHYAVIHMF-FQEVSTJZSA-N 2 2 375.582 3.232 20 0 GGADLP COc1cc2[nH+]c(NC[C@H](c3ccco3)[NH+]3CCCCC3)nc(N)c2cc1OC ZINC000110676801 1411863624 /nfs/dbraw/zinc/86/36/24/1411863624.db2.gz XIAAULODXQKGPW-MRXNPFEDSA-N 2 2 397.479 3.461 20 0 GGADLP CC[NH+](CC)[C@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000111044962 1411884016 /nfs/dbraw/zinc/88/40/16/1411884016.db2.gz UDGWTVOWTITBDB-QHCPKHFHSA-N 2 2 394.563 3.008 20 0 GGADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243016 1411897516 /nfs/dbraw/zinc/89/75/16/1411897516.db2.gz FOPIVADAPNZKKF-NRFANRHFSA-N 2 2 382.508 3.282 20 0 GGADLP C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000111448550 1411956915 /nfs/dbraw/zinc/95/69/15/1411956915.db2.gz OINTUJVZSMHKEI-SFHVURJKSA-N 2 2 381.524 3.002 20 0 GGADLP C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000111448550 1411956949 /nfs/dbraw/zinc/95/69/49/1411956949.db2.gz OINTUJVZSMHKEI-SFHVURJKSA-N 2 2 381.524 3.002 20 0 GGADLP C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000111458813 1411964634 /nfs/dbraw/zinc/96/46/34/1411964634.db2.gz CFSYTUNIBOCRNB-LJQANCHMSA-N 2 2 395.551 3.392 20 0 GGADLP C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000111458813 1411964682 /nfs/dbraw/zinc/96/46/82/1411964682.db2.gz CFSYTUNIBOCRNB-LJQANCHMSA-N 2 2 395.551 3.392 20 0 GGADLP O=C(NCCCCC[NH+]1CCCCC1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000111478117 1411976270 /nfs/dbraw/zinc/97/62/70/1411976270.db2.gz XRQXSECODGPHOJ-UHFFFAOYSA-N 2 2 387.503 3.467 20 0 GGADLP C[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000111611938 1412001135 /nfs/dbraw/zinc/00/11/35/1412001135.db2.gz APWNERWPYOQPIU-RTBURBONSA-N 2 2 393.531 3.465 20 0 GGADLP C[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000111611938 1412001139 /nfs/dbraw/zinc/00/11/39/1412001139.db2.gz APWNERWPYOQPIU-RTBURBONSA-N 2 2 393.531 3.465 20 0 GGADLP C[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000111611939 1412001568 /nfs/dbraw/zinc/00/15/68/1412001568.db2.gz APWNERWPYOQPIU-OALUTQOASA-N 2 2 393.531 3.465 20 0 GGADLP C[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000111611939 1412001574 /nfs/dbraw/zinc/00/15/74/1412001574.db2.gz APWNERWPYOQPIU-OALUTQOASA-N 2 2 393.531 3.465 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC4(CCCCC4)C3)CC2)CC1 ZINC000111846463 1412037317 /nfs/dbraw/zinc/03/73/17/1412037317.db2.gz AWMYPSVIDABXEM-UHFFFAOYSA-N 2 2 376.589 3.301 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1F ZINC000112532805 1412164083 /nfs/dbraw/zinc/16/40/83/1412164083.db2.gz UILSIDDUICUXQD-KRWDZBQOSA-N 2 2 385.483 3.337 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1F ZINC000112532806 1412164220 /nfs/dbraw/zinc/16/42/20/1412164220.db2.gz UILSIDDUICUXQD-QGZVFWFLSA-N 2 2 385.483 3.337 20 0 GGADLP Cc1cccc(OC(F)F)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112678536 1412191191 /nfs/dbraw/zinc/19/11/91/1412191191.db2.gz LNFQJXZVCJDGHT-UHFFFAOYSA-N 2 2 384.471 3.086 20 0 GGADLP Cc1cccc(OC(F)F)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112678536 1412191196 /nfs/dbraw/zinc/19/11/96/1412191196.db2.gz LNFQJXZVCJDGHT-UHFFFAOYSA-N 2 2 384.471 3.086 20 0 GGADLP CN(C)c1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000112687238 1412193490 /nfs/dbraw/zinc/19/34/90/1412193490.db2.gz MAGJEQJYFKLMRM-OAQYLSRUSA-N 2 2 393.579 3.182 20 0 GGADLP CN(C)c1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000112687238 1412193496 /nfs/dbraw/zinc/19/34/96/1412193496.db2.gz MAGJEQJYFKLMRM-OAQYLSRUSA-N 2 2 393.579 3.182 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000112921589 1412240873 /nfs/dbraw/zinc/24/08/73/1412240873.db2.gz YUZRGGGKEXNWSH-UHFFFAOYSA-N 2 2 382.552 3.145 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000112921589 1412240881 /nfs/dbraw/zinc/24/08/81/1412240881.db2.gz YUZRGGGKEXNWSH-UHFFFAOYSA-N 2 2 382.552 3.145 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000112921594 1412241282 /nfs/dbraw/zinc/24/12/82/1412241282.db2.gz AEQUJCRAQYLXIY-UHFFFAOYSA-N 2 2 382.552 3.145 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000112921594 1412241290 /nfs/dbraw/zinc/24/12/90/1412241290.db2.gz AEQUJCRAQYLXIY-UHFFFAOYSA-N 2 2 382.552 3.145 20 0 GGADLP Cc1nc(-c2cccs2)ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000112921371 1412241389 /nfs/dbraw/zinc/24/13/89/1412241389.db2.gz MYFMQNIIQWWGIK-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1nc(-c2cccs2)ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000112921371 1412241396 /nfs/dbraw/zinc/24/13/96/1412241396.db2.gz MYFMQNIIQWWGIK-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000113339399 1412294107 /nfs/dbraw/zinc/29/41/07/1412294107.db2.gz FRQBYQSHLMURSJ-HNNXBMFYSA-N 2 2 394.972 3.101 20 0 GGADLP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000113407393 1412303890 /nfs/dbraw/zinc/30/38/90/1412303890.db2.gz BCRCNJYIPUSKEQ-HXUWFJFHSA-N 2 2 383.540 3.038 20 0 GGADLP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000113407393 1412303898 /nfs/dbraw/zinc/30/38/98/1412303898.db2.gz BCRCNJYIPUSKEQ-HXUWFJFHSA-N 2 2 383.540 3.038 20 0 GGADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000113439124 1412306306 /nfs/dbraw/zinc/30/63/06/1412306306.db2.gz ONBGIBSDUAWBKS-INIZCTEOSA-N 2 2 385.474 3.153 20 0 GGADLP CN(C(=O)NCCc1cn2c([nH+]1)CCCC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113595400 1412319690 /nfs/dbraw/zinc/31/96/90/1412319690.db2.gz BADJIBWMYPIPOB-UHFFFAOYSA-N 2 2 395.551 3.068 20 0 GGADLP COc1cccc([C@@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+](C)C)c1 ZINC000114162526 1412385402 /nfs/dbraw/zinc/38/54/02/1412385402.db2.gz BFSLJWRMLINYSL-OAQYLSRUSA-N 2 2 378.476 3.222 20 0 GGADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CCCC2)no1 ZINC000114175663 1412387358 /nfs/dbraw/zinc/38/73/58/1412387358.db2.gz IWHFNQGQGJTPCB-KRWDZBQOSA-N 2 2 391.560 3.061 20 0 GGADLP CC[C@H]1c2ccccc2CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000114492637 1412445750 /nfs/dbraw/zinc/44/57/50/1412445750.db2.gz JLHNCDXDUXDKFL-NRFANRHFSA-N 2 2 378.520 3.130 20 0 GGADLP CC[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000114492637 1412445754 /nfs/dbraw/zinc/44/57/54/1412445754.db2.gz JLHNCDXDUXDKFL-NRFANRHFSA-N 2 2 378.520 3.130 20 0 GGADLP CC[C@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114593132 1412470166 /nfs/dbraw/zinc/47/01/66/1412470166.db2.gz AVAPNLFPBQKFNV-QFIPXVFZSA-N 2 2 384.568 3.264 20 0 GGADLP C[N@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260624 1428658323 /nfs/dbraw/zinc/65/83/23/1428658323.db2.gz LYLPCIVXVBLNCP-OAQYLSRUSA-N 2 2 375.463 3.032 20 0 GGADLP C[N@@H+](C[C@@H](O)c1ccc(F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260624 1428658332 /nfs/dbraw/zinc/65/83/32/1428658332.db2.gz LYLPCIVXVBLNCP-OAQYLSRUSA-N 2 2 375.463 3.032 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114782683 1412522599 /nfs/dbraw/zinc/52/25/99/1412522599.db2.gz OFSPXEQVMASTKG-OAQYLSRUSA-N 2 2 393.535 3.146 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114782683 1412522604 /nfs/dbraw/zinc/52/26/04/1412522604.db2.gz OFSPXEQVMASTKG-OAQYLSRUSA-N 2 2 393.535 3.146 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000114781999 1412522895 /nfs/dbraw/zinc/52/28/95/1412522895.db2.gz SWOKRSLOTNGJRJ-LJQANCHMSA-N 2 2 387.572 3.124 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000114781999 1412522901 /nfs/dbraw/zinc/52/29/01/1412522901.db2.gz SWOKRSLOTNGJRJ-LJQANCHMSA-N 2 2 387.572 3.124 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000114781997 1412523112 /nfs/dbraw/zinc/52/31/12/1412523112.db2.gz SWOKRSLOTNGJRJ-IBGZPJMESA-N 2 2 387.572 3.124 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000114781997 1412523124 /nfs/dbraw/zinc/52/31/24/1412523124.db2.gz SWOKRSLOTNGJRJ-IBGZPJMESA-N 2 2 387.572 3.124 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)CC(C)C ZINC000114821421 1412533881 /nfs/dbraw/zinc/53/38/81/1412533881.db2.gz NESYAGZPKZDRKV-PZJWPPBQSA-N 2 2 389.588 3.226 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)CC(C)C ZINC000114821419 1412533910 /nfs/dbraw/zinc/53/39/10/1412533910.db2.gz NESYAGZPKZDRKV-FPOVZHCZSA-N 2 2 389.588 3.226 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccco1 ZINC000114826593 1412534432 /nfs/dbraw/zinc/53/44/32/1412534432.db2.gz PDSGOUPDQBDFLY-UYAOXDASSA-N 2 2 399.539 3.146 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccco1 ZINC000114826588 1412534676 /nfs/dbraw/zinc/53/46/76/1412534676.db2.gz PDSGOUPDQBDFLY-ICSRJNTNSA-N 2 2 399.539 3.146 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114834830 1412536300 /nfs/dbraw/zinc/53/63/00/1412536300.db2.gz QZQMFSKHRNUOFC-HXUWFJFHSA-N 2 2 381.524 3.238 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114834830 1412536304 /nfs/dbraw/zinc/53/63/04/1412536304.db2.gz QZQMFSKHRNUOFC-HXUWFJFHSA-N 2 2 381.524 3.238 20 0 GGADLP C[N@H+](C[C@@H](O)c1ccc(F)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259282 1428657330 /nfs/dbraw/zinc/65/73/30/1428657330.db2.gz LOWLDNVIJMPGMT-OAQYLSRUSA-N 2 2 375.463 3.032 20 0 GGADLP C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259282 1428657333 /nfs/dbraw/zinc/65/73/33/1428657333.db2.gz LOWLDNVIJMPGMT-OAQYLSRUSA-N 2 2 375.463 3.032 20 0 GGADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000114946032 1412554960 /nfs/dbraw/zinc/55/49/60/1412554960.db2.gz WOXGVWUQWTYKOU-UHFFFAOYSA-N 2 2 391.519 3.454 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000115548991 1412705058 /nfs/dbraw/zinc/70/50/58/1412705058.db2.gz CWJCQUKSPYQQQD-UHFFFAOYSA-N 2 2 381.520 3.218 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000115548991 1412705071 /nfs/dbraw/zinc/70/50/71/1412705071.db2.gz CWJCQUKSPYQQQD-UHFFFAOYSA-N 2 2 381.520 3.218 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000116368573 1412852884 /nfs/dbraw/zinc/85/28/84/1412852884.db2.gz MVXYJBDRLGJXLD-QGZVFWFLSA-N 2 2 386.565 3.295 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000116368572 1412852980 /nfs/dbraw/zinc/85/29/80/1412852980.db2.gz MVXYJBDRLGJXLD-KRWDZBQOSA-N 2 2 386.565 3.295 20 0 GGADLP C[NH+](C)CC[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(C)(C)C ZINC000116424448 1412858286 /nfs/dbraw/zinc/85/82/86/1412858286.db2.gz ODOWLBSXEOTMMI-GOSISDBHSA-N 2 2 375.492 3.177 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000116436096 1412860033 /nfs/dbraw/zinc/86/00/33/1412860033.db2.gz NQEPRQVDJTZAAF-IBGZPJMESA-N 2 2 393.535 3.139 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000116561532 1412877672 /nfs/dbraw/zinc/87/76/72/1412877672.db2.gz LYABMBRFHCJUTE-SFHVURJKSA-N 2 2 381.524 3.455 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000116561534 1412877845 /nfs/dbraw/zinc/87/78/45/1412877845.db2.gz LYABMBRFHCJUTE-GOSISDBHSA-N 2 2 381.524 3.455 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000177315161 1428683881 /nfs/dbraw/zinc/68/38/81/1428683881.db2.gz GTSQJIJYLOLVPK-CABCVRRESA-N 2 2 395.931 3.244 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000177315161 1428683899 /nfs/dbraw/zinc/68/38/99/1428683899.db2.gz GTSQJIJYLOLVPK-CABCVRRESA-N 2 2 395.931 3.244 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000177315161 1428683904 /nfs/dbraw/zinc/68/39/04/1428683904.db2.gz GTSQJIJYLOLVPK-CABCVRRESA-N 2 2 395.931 3.244 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000177315161 1428683915 /nfs/dbraw/zinc/68/39/15/1428683915.db2.gz GTSQJIJYLOLVPK-CABCVRRESA-N 2 2 395.931 3.244 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+]2CCCC2)o1 ZINC000116592926 1412884945 /nfs/dbraw/zinc/88/49/45/1412884945.db2.gz RPGBVRUIUIAZDV-HXUWFJFHSA-N 2 2 378.476 3.400 20 0 GGADLP CC(C)c1ccc(CCCNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000117056414 1412987391 /nfs/dbraw/zinc/98/73/91/1412987391.db2.gz WMOSKOAJZHPDQH-UHFFFAOYSA-N 2 2 388.600 3.410 20 0 GGADLP CC(C)c1ccc(CCCNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000117056414 1412987396 /nfs/dbraw/zinc/98/73/96/1412987396.db2.gz WMOSKOAJZHPDQH-UHFFFAOYSA-N 2 2 388.600 3.410 20 0 GGADLP COc1ccc([C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000117573077 1413053331 /nfs/dbraw/zinc/05/33/31/1413053331.db2.gz JIHCPBNKEJKDSP-QFIPXVFZSA-N 2 2 390.487 3.448 20 0 GGADLP COCC[N@H+](C)CC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000117651733 1413060898 /nfs/dbraw/zinc/06/08/98/1413060898.db2.gz UCXLXEFUHOAUGS-JOCHJYFZSA-N 2 2 392.503 3.312 20 0 GGADLP COCC[N@@H+](C)CC[C@@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000117651733 1413060908 /nfs/dbraw/zinc/06/09/08/1413060908.db2.gz UCXLXEFUHOAUGS-JOCHJYFZSA-N 2 2 392.503 3.312 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000177343779 1428700061 /nfs/dbraw/zinc/70/00/61/1428700061.db2.gz BGBYLKQKYPKESE-CTNGQTDRSA-N 2 2 395.551 3.376 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000177343779 1428700064 /nfs/dbraw/zinc/70/00/64/1428700064.db2.gz BGBYLKQKYPKESE-CTNGQTDRSA-N 2 2 395.551 3.376 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000177343779 1428700068 /nfs/dbraw/zinc/70/00/68/1428700068.db2.gz BGBYLKQKYPKESE-CTNGQTDRSA-N 2 2 395.551 3.376 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C ZINC000177343779 1428700070 /nfs/dbraw/zinc/70/00/70/1428700070.db2.gz BGBYLKQKYPKESE-CTNGQTDRSA-N 2 2 395.551 3.376 20 0 GGADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000177357579 1428703717 /nfs/dbraw/zinc/70/37/17/1428703717.db2.gz AOIVDHOUSFSSTO-GOSISDBHSA-N 2 2 398.526 3.345 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000118770218 1413217282 /nfs/dbraw/zinc/21/72/82/1413217282.db2.gz JUPBWWKDLJQKAG-OALUTQOASA-N 2 2 398.551 3.322 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000118770221 1413217586 /nfs/dbraw/zinc/21/75/86/1413217586.db2.gz JUPBWWKDLJQKAG-RTBURBONSA-N 2 2 398.551 3.322 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832857 1413236175 /nfs/dbraw/zinc/23/61/75/1413236175.db2.gz XPIFMUMGCCZATQ-RBUKOAKNSA-N 2 2 389.609 3.465 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832857 1413236181 /nfs/dbraw/zinc/23/61/81/1413236181.db2.gz XPIFMUMGCCZATQ-RBUKOAKNSA-N 2 2 389.609 3.465 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832855 1413236582 /nfs/dbraw/zinc/23/65/82/1413236582.db2.gz XPIFMUMGCCZATQ-OALUTQOASA-N 2 2 389.609 3.465 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000118832855 1413236592 /nfs/dbraw/zinc/23/65/92/1413236592.db2.gz XPIFMUMGCCZATQ-OALUTQOASA-N 2 2 389.609 3.465 20 0 GGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000118886991 1413259315 /nfs/dbraw/zinc/25/93/15/1413259315.db2.gz JXZNHNOGJYNLRY-NRFANRHFSA-N 2 2 388.515 3.475 20 0 GGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000118886991 1413259332 /nfs/dbraw/zinc/25/93/32/1413259332.db2.gz JXZNHNOGJYNLRY-NRFANRHFSA-N 2 2 388.515 3.475 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000118990763 1413294283 /nfs/dbraw/zinc/29/42/83/1413294283.db2.gz DCFGYSGKCYJTLT-SXLOBPIMSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000118990763 1413294287 /nfs/dbraw/zinc/29/42/87/1413294287.db2.gz DCFGYSGKCYJTLT-SXLOBPIMSA-N 2 2 388.556 3.281 20 0 GGADLP CC(C)CCC[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119061170 1413321541 /nfs/dbraw/zinc/32/15/41/1413321541.db2.gz SQVFLMUDYTYFCC-OALUTQOASA-N 2 2 375.561 3.086 20 0 GGADLP CCCCCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119065684 1413322872 /nfs/dbraw/zinc/32/28/72/1413322872.db2.gz SVJXDMUBKNILQS-RTBURBONSA-N 2 2 375.561 3.231 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000119116211 1413343199 /nfs/dbraw/zinc/34/31/99/1413343199.db2.gz GWQSPTJUYQQAMZ-UWJYYQICSA-N 2 2 387.549 3.373 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000119116211 1413343205 /nfs/dbraw/zinc/34/32/05/1413343205.db2.gz GWQSPTJUYQQAMZ-UWJYYQICSA-N 2 2 387.549 3.373 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000119116546 1413343246 /nfs/dbraw/zinc/34/32/46/1413343246.db2.gz GWQSPTJUYQQAMZ-DYESRHJHSA-N 2 2 387.549 3.373 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000119116546 1413343255 /nfs/dbraw/zinc/34/32/55/1413343255.db2.gz GWQSPTJUYQQAMZ-DYESRHJHSA-N 2 2 387.549 3.373 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000119170793 1413364123 /nfs/dbraw/zinc/36/41/23/1413364123.db2.gz DEQZAZXYQGJODV-WOJBJXKFSA-N 2 2 398.526 3.253 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000119170793 1413364129 /nfs/dbraw/zinc/36/41/29/1413364129.db2.gz DEQZAZXYQGJODV-WOJBJXKFSA-N 2 2 398.526 3.253 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000119176304 1413365872 /nfs/dbraw/zinc/36/58/72/1413365872.db2.gz FGLGVQHWXJZUFT-UHFFFAOYSA-N 2 2 394.441 3.449 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000119250986 1413389600 /nfs/dbraw/zinc/38/96/00/1413389600.db2.gz GOQIBKAASIRVDF-FXAWDEMLSA-N 2 2 398.576 3.351 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000119250986 1413389605 /nfs/dbraw/zinc/38/96/05/1413389605.db2.gz GOQIBKAASIRVDF-FXAWDEMLSA-N 2 2 398.576 3.351 20 0 GGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000119299519 1413403336 /nfs/dbraw/zinc/40/33/36/1413403336.db2.gz MVCKMHOMXDDSQS-SIKLNZKXSA-N 2 2 395.547 3.029 20 0 GGADLP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000119299519 1413403344 /nfs/dbraw/zinc/40/33/44/1413403344.db2.gz MVCKMHOMXDDSQS-SIKLNZKXSA-N 2 2 395.547 3.029 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000119330439 1413414298 /nfs/dbraw/zinc/41/42/98/1413414298.db2.gz WOCQHXQNUNYAAY-INIZCTEOSA-N 2 2 380.492 3.323 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000119340369 1413417017 /nfs/dbraw/zinc/41/70/17/1413417017.db2.gz FKIAXKLISKNUEW-INIZCTEOSA-N 2 2 378.586 3.399 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000119358990 1413423020 /nfs/dbraw/zinc/42/30/20/1413423020.db2.gz WKPDXRLMOJZTHG-LEWJYISDSA-N 2 2 380.536 3.113 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000119358990 1413423024 /nfs/dbraw/zinc/42/30/24/1413423024.db2.gz WKPDXRLMOJZTHG-LEWJYISDSA-N 2 2 380.536 3.113 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000119375097 1413428368 /nfs/dbraw/zinc/42/83/68/1413428368.db2.gz MFAYQHGBGQRVJM-NRFANRHFSA-N 2 2 393.535 3.318 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000119430588 1413444712 /nfs/dbraw/zinc/44/47/12/1413444712.db2.gz ONOLIWNHDMIEKY-RXVVDRJESA-N 2 2 389.503 3.192 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000119430588 1413444714 /nfs/dbraw/zinc/44/47/14/1413444714.db2.gz ONOLIWNHDMIEKY-RXVVDRJESA-N 2 2 389.503 3.192 20 0 GGADLP C[C@H]1CN(C(C)(C)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000119523437 1413474555 /nfs/dbraw/zinc/47/45/55/1413474555.db2.gz IENDHPHPDCVXKY-OALUTQOASA-N 2 2 388.600 3.199 20 0 GGADLP C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@H](C)O1 ZINC000119523277 1413474650 /nfs/dbraw/zinc/47/46/50/1413474650.db2.gz IENDHPHPDCVXKY-KDURUIRLSA-N 2 2 388.600 3.199 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119770834 1413562368 /nfs/dbraw/zinc/56/23/68/1413562368.db2.gz XQAYXLSWQNXVPY-INIZCTEOSA-N 2 2 394.441 3.055 20 0 GGADLP C[C@@H](CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@H+](C)Cc1ccccc1 ZINC000119782772 1413567748 /nfs/dbraw/zinc/56/77/48/1413567748.db2.gz PTTMFNBDIGMGKY-FPOVZHCZSA-N 2 2 397.567 3.295 20 0 GGADLP C[C@@H](CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000119782772 1413567752 /nfs/dbraw/zinc/56/77/52/1413567752.db2.gz PTTMFNBDIGMGKY-FPOVZHCZSA-N 2 2 397.567 3.295 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000119893174 1413607779 /nfs/dbraw/zinc/60/77/79/1413607779.db2.gz FHRYJTLFUZUECA-SFTDATJTSA-N 2 2 380.536 3.256 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000119893174 1413607785 /nfs/dbraw/zinc/60/77/85/1413607785.db2.gz FHRYJTLFUZUECA-SFTDATJTSA-N 2 2 380.536 3.256 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4ccc(Cl)cc4n3)CC2)CC1 ZINC000177448527 1428741622 /nfs/dbraw/zinc/74/16/22/1428741622.db2.gz CWJOFMOZEVGLKT-UHFFFAOYSA-N 2 2 386.927 3.177 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000120123374 1413696220 /nfs/dbraw/zinc/69/62/20/1413696220.db2.gz SEKVYXIUUFIMCA-UHFFFAOYSA-N 2 2 378.879 3.222 20 0 GGADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000120173746 1413717801 /nfs/dbraw/zinc/71/78/01/1413717801.db2.gz ULUWYTOWLIAZCG-HNNXBMFYSA-N 2 2 379.495 3.133 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(CCC(F)(F)F)cc3)CC2)CC1 ZINC000120175539 1413718686 /nfs/dbraw/zinc/71/86/86/1413718686.db2.gz QWAMQEQANUHILT-UHFFFAOYSA-N 2 2 397.485 3.470 20 0 GGADLP CC(C)c1ccccc1OCCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120177876 1413719403 /nfs/dbraw/zinc/71/94/03/1413719403.db2.gz ZMTDMMOUSGTQBY-UHFFFAOYSA-N 2 2 387.568 3.254 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3occc3-c3ccc(F)cc3)CC2)CC1 ZINC000120178506 1413720615 /nfs/dbraw/zinc/72/06/15/1413720615.db2.gz CNQAEERWZUNVDQ-UHFFFAOYSA-N 2 2 385.483 3.374 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3CC(F)(F)F)CC2)CC1 ZINC000120205634 1413730711 /nfs/dbraw/zinc/73/07/11/1413730711.db2.gz SEROXRAPBZKUPU-UHFFFAOYSA-N 2 2 398.473 3.472 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120288472 1413769248 /nfs/dbraw/zinc/76/92/48/1413769248.db2.gz KAIRKPAWQRYDMZ-MJGOQNOKSA-N 2 2 376.545 3.139 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120288472 1413769255 /nfs/dbraw/zinc/76/92/55/1413769255.db2.gz KAIRKPAWQRYDMZ-MJGOQNOKSA-N 2 2 376.545 3.139 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3OCC(F)F)CC2)CC1 ZINC000120294626 1413772032 /nfs/dbraw/zinc/77/20/32/1413772032.db2.gz JZGDGGCSBYEDAE-UHFFFAOYSA-N 2 2 396.482 3.011 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000120336843 1413792502 /nfs/dbraw/zinc/79/25/02/1413792502.db2.gz YOKVPDXRNQZCCE-LJQANCHMSA-N 2 2 398.576 3.064 20 0 GGADLP Cc1c(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cnn1-c1cc[nH+]cc1 ZINC000120406013 1413811271 /nfs/dbraw/zinc/81/12/71/1413811271.db2.gz IVDYGSYYYVZGMB-UHFFFAOYSA-N 2 2 393.466 3.063 20 0 GGADLP Cc1c(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cnn1-c1cc[nH+]cc1 ZINC000120406013 1413811273 /nfs/dbraw/zinc/81/12/73/1413811273.db2.gz IVDYGSYYYVZGMB-UHFFFAOYSA-N 2 2 393.466 3.063 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000120457568 1413822426 /nfs/dbraw/zinc/82/24/26/1413822426.db2.gz QRSKCNAWISERKX-FQEVSTJZSA-N 2 2 389.588 3.142 20 0 GGADLP CC(C)Oc1cccc(C[N@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000120662727 1413868967 /nfs/dbraw/zinc/86/89/67/1413868967.db2.gz JBHCEGSMAZCMJG-UHFFFAOYSA-N 2 2 396.535 3.040 20 0 GGADLP CC(C)Oc1cccc(C[N@@H+](C)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000120662727 1413868972 /nfs/dbraw/zinc/86/89/72/1413868972.db2.gz JBHCEGSMAZCMJG-UHFFFAOYSA-N 2 2 396.535 3.040 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000177485576 1428762579 /nfs/dbraw/zinc/76/25/79/1428762579.db2.gz TXWRHCIBZOPWDV-IAGOWNOFSA-N 2 2 395.975 3.385 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000177485141 1428762716 /nfs/dbraw/zinc/76/27/16/1428762716.db2.gz JMJDIADPPCLXIB-OAHLLOKOSA-N 2 2 399.482 3.094 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000177486241 1428763497 /nfs/dbraw/zinc/76/34/97/1428763497.db2.gz PAOSYEDREQXCBH-OAHLLOKOSA-N 2 2 399.482 3.094 20 0 GGADLP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)C[C@@H](C)O1 ZINC000177493049 1428767454 /nfs/dbraw/zinc/76/74/54/1428767454.db2.gz JFTKSDIISHIJHB-HZPDHXFCSA-N 2 2 395.494 3.115 20 0 GGADLP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177490065 1428765701 /nfs/dbraw/zinc/76/57/01/1428765701.db2.gz NEOXWDPKFAJPSU-INIZCTEOSA-N 2 2 381.948 3.454 20 0 GGADLP c1cc(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)cc(C[NH+]2CCOCC2)c1 ZINC000120851354 1413926400 /nfs/dbraw/zinc/92/64/00/1413926400.db2.gz OBIMJWSBFVSJJN-XMMPIXPASA-N 2 2 396.531 3.366 20 0 GGADLP CC(C)CCc1noc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000177490968 1428766360 /nfs/dbraw/zinc/76/63/60/1428766360.db2.gz SAOBNTDEIIPEHX-QZTJIDSGSA-N 2 2 378.561 3.370 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000177491060 1428766713 /nfs/dbraw/zinc/76/67/13/1428766713.db2.gz NLZVBAOAOWCGRH-KDURUIRLSA-N 2 2 398.551 3.372 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000177491060 1428766719 /nfs/dbraw/zinc/76/67/19/1428766719.db2.gz NLZVBAOAOWCGRH-KDURUIRLSA-N 2 2 398.551 3.372 20 0 GGADLP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000177492207 1428766746 /nfs/dbraw/zinc/76/67/46/1428766746.db2.gz QIFJBIGMBZSUCH-RBUKOAKNSA-N 2 2 389.584 3.294 20 0 GGADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000177491094 1428766807 /nfs/dbraw/zinc/76/68/07/1428766807.db2.gz NLZVBAOAOWCGRH-RTBURBONSA-N 2 2 398.551 3.372 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000120903148 1413943157 /nfs/dbraw/zinc/94/31/57/1413943157.db2.gz ZXTRQRJIONGPEL-HMXCVIKNSA-N 2 2 395.551 3.047 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000120903148 1413943162 /nfs/dbraw/zinc/94/31/62/1413943162.db2.gz ZXTRQRJIONGPEL-HMXCVIKNSA-N 2 2 395.551 3.047 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000120961054 1413960917 /nfs/dbraw/zinc/96/09/17/1413960917.db2.gz RWKYFRAGVWAORA-RXVVDRJESA-N 2 2 393.535 3.185 20 0 GGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000121160804 1414028754 /nfs/dbraw/zinc/02/87/54/1414028754.db2.gz ICGOZLMJIYUQMV-JOCHJYFZSA-N 2 2 388.458 3.453 20 0 GGADLP Fc1cc2c(c(F)c1)CC[C@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000121182477 1414036638 /nfs/dbraw/zinc/03/66/38/1414036638.db2.gz LPPFEFRGOOSULG-OAQYLSRUSA-N 2 2 388.458 3.453 20 0 GGADLP O=C(CC[N@@H+]1CCCCC[C@@H]1c1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000121255831 1414061481 /nfs/dbraw/zinc/06/14/81/1414061481.db2.gz MDHUGBAZJOAPQS-LJQANCHMSA-N 2 2 382.508 3.331 20 0 GGADLP O=C(CC[N@H+]1CCCCC[C@@H]1c1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000121255831 1414061489 /nfs/dbraw/zinc/06/14/89/1414061489.db2.gz MDHUGBAZJOAPQS-LJQANCHMSA-N 2 2 382.508 3.331 20 0 GGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121452406 1414129630 /nfs/dbraw/zinc/12/96/30/1414129630.db2.gz CBTDLWMBMWUWQO-UYAOXDASSA-N 2 2 396.510 3.137 20 0 GGADLP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121452406 1414129642 /nfs/dbraw/zinc/12/96/42/1414129642.db2.gz CBTDLWMBMWUWQO-UYAOXDASSA-N 2 2 396.510 3.137 20 0 GGADLP C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000177542822 1428787268 /nfs/dbraw/zinc/78/72/68/1428787268.db2.gz OFQRYEKSKQMZLW-CVDCTZTESA-N 2 2 393.531 3.335 20 0 GGADLP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000177542822 1428787270 /nfs/dbraw/zinc/78/72/70/1428787270.db2.gz OFQRYEKSKQMZLW-CVDCTZTESA-N 2 2 393.531 3.335 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121614906 1414200837 /nfs/dbraw/zinc/20/08/37/1414200837.db2.gz HHUNELHXXSHGOB-QHCPKHFHSA-N 2 2 396.531 3.225 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121614906 1414200846 /nfs/dbraw/zinc/20/08/46/1414200846.db2.gz HHUNELHXXSHGOB-QHCPKHFHSA-N 2 2 396.531 3.225 20 0 GGADLP COc1cccc(COC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121621006 1414203504 /nfs/dbraw/zinc/20/35/04/1414203504.db2.gz VCEIUFSCWWGUEM-HSZRJFAPSA-N 2 2 398.547 3.169 20 0 GGADLP COc1cccc(COC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121621006 1414203509 /nfs/dbraw/zinc/20/35/09/1414203509.db2.gz VCEIUFSCWWGUEM-HSZRJFAPSA-N 2 2 398.547 3.169 20 0 GGADLP COc1cccc(COC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121620799 1414203582 /nfs/dbraw/zinc/20/35/82/1414203582.db2.gz VCEIUFSCWWGUEM-QHCPKHFHSA-N 2 2 398.547 3.169 20 0 GGADLP COc1cccc(COC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121620799 1414203588 /nfs/dbraw/zinc/20/35/88/1414203588.db2.gz VCEIUFSCWWGUEM-QHCPKHFHSA-N 2 2 398.547 3.169 20 0 GGADLP COc1ccccc1COC[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121624180 1414204189 /nfs/dbraw/zinc/20/41/89/1414204189.db2.gz FCXCJLJQMAAPEE-HSZRJFAPSA-N 2 2 398.547 3.169 20 0 GGADLP COc1ccccc1COC[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121624180 1414204194 /nfs/dbraw/zinc/20/41/94/1414204194.db2.gz FCXCJLJQMAAPEE-HSZRJFAPSA-N 2 2 398.547 3.169 20 0 GGADLP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000121726337 1414237846 /nfs/dbraw/zinc/23/78/46/1414237846.db2.gz WMRQJOPWAOSVCW-UHFFFAOYSA-N 2 2 398.532 3.191 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000121757023 1414248240 /nfs/dbraw/zinc/24/82/40/1414248240.db2.gz GSZPFULGBJVOIK-RTBURBONSA-N 2 2 395.551 3.386 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000122080984 1414358098 /nfs/dbraw/zinc/35/80/98/1414358098.db2.gz XODHGIWIZZIJSO-UHFFFAOYSA-N 2 2 399.938 3.488 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000122080984 1414358101 /nfs/dbraw/zinc/35/81/01/1414358101.db2.gz XODHGIWIZZIJSO-UHFFFAOYSA-N 2 2 399.938 3.488 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(-c4ccccc4)on3)CC2)CC1 ZINC000122096805 1414362465 /nfs/dbraw/zinc/36/24/65/1414362465.db2.gz QKINSEWAYGNZIH-UHFFFAOYSA-N 2 2 383.496 3.022 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000122197660 1414385792 /nfs/dbraw/zinc/38/57/92/1414385792.db2.gz HOEFGMWUJVULOP-UHFFFAOYSA-N 2 2 378.542 3.369 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2noc(-c3ccsc3)n2)CC1 ZINC000122197660 1414385799 /nfs/dbraw/zinc/38/57/99/1414385799.db2.gz HOEFGMWUJVULOP-UHFFFAOYSA-N 2 2 378.542 3.369 20 0 GGADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000122353454 1414432155 /nfs/dbraw/zinc/43/21/55/1414432155.db2.gz IHGHKCAMLITPTM-UHFFFAOYSA-N 2 2 395.551 3.345 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)[NH+]2CCCC2)cc1 ZINC000177608373 1428809575 /nfs/dbraw/zinc/80/95/75/1428809575.db2.gz BHKZGOBEMKWLBQ-HXUWFJFHSA-N 2 2 377.492 3.279 20 0 GGADLP CN(C(=O)Nc1ccc(F)cn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000122674738 1414535484 /nfs/dbraw/zinc/53/54/84/1414535484.db2.gz HPFGPAMFIKSRFH-ROUUACIJSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccc(F)cn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122674738 1414535493 /nfs/dbraw/zinc/53/54/93/1414535493.db2.gz HPFGPAMFIKSRFH-ROUUACIJSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccc(F)cn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000122674548 1414535592 /nfs/dbraw/zinc/53/55/92/1414535592.db2.gz HPFGPAMFIKSRFH-MSOLQXFVSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccc(F)cn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122674548 1414535599 /nfs/dbraw/zinc/53/55/99/1414535599.db2.gz HPFGPAMFIKSRFH-MSOLQXFVSA-N 2 2 377.508 3.022 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000122677168 1414536526 /nfs/dbraw/zinc/53/65/26/1414536526.db2.gz QXXASDQYXJAGRW-SFHVURJKSA-N 2 2 381.467 3.247 20 0 GGADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000122814543 1414571098 /nfs/dbraw/zinc/57/10/98/1414571098.db2.gz XHQKXUZITUKYKA-JRGCBEDISA-N 2 2 381.524 3.143 20 0 GGADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000122814543 1414571102 /nfs/dbraw/zinc/57/11/02/1414571102.db2.gz XHQKXUZITUKYKA-JRGCBEDISA-N 2 2 381.524 3.143 20 0 GGADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000122814815 1414572066 /nfs/dbraw/zinc/57/20/66/1414572066.db2.gz XHQKXUZITUKYKA-DZFGPLHGSA-N 2 2 381.524 3.143 20 0 GGADLP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000122814815 1414572073 /nfs/dbraw/zinc/57/20/73/1414572073.db2.gz XHQKXUZITUKYKA-DZFGPLHGSA-N 2 2 381.524 3.143 20 0 GGADLP Cc1c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)sc2cccc(F)c12 ZINC000122939504 1414601380 /nfs/dbraw/zinc/60/13/80/1414601380.db2.gz YDKUNPQRJDNRPP-UHFFFAOYSA-N 2 2 377.529 3.447 20 0 GGADLP Cc1c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)sc2cccc(F)c12 ZINC000122939504 1414601381 /nfs/dbraw/zinc/60/13/81/1414601381.db2.gz YDKUNPQRJDNRPP-UHFFFAOYSA-N 2 2 377.529 3.447 20 0 GGADLP Cc1ccc(-c2cnc(CCC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)o2)cc1 ZINC000122951794 1414603980 /nfs/dbraw/zinc/60/39/80/1414603980.db2.gz CMRLXXPRQQGWBH-UHFFFAOYSA-N 2 2 398.551 3.067 20 0 GGADLP Cc1ccc(-c2cnc(CCC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)o2)cc1 ZINC000122951794 1414603983 /nfs/dbraw/zinc/60/39/83/1414603983.db2.gz CMRLXXPRQQGWBH-UHFFFAOYSA-N 2 2 398.551 3.067 20 0 GGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000122958452 1414605835 /nfs/dbraw/zinc/60/58/35/1414605835.db2.gz MSPJZCJONQLPOP-UXHICEINSA-N 2 2 389.540 3.054 20 0 GGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000122958263 1414605982 /nfs/dbraw/zinc/60/59/82/1414605982.db2.gz MSPJZCJONQLPOP-WOJBJXKFSA-N 2 2 389.540 3.054 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000122966515 1414608720 /nfs/dbraw/zinc/60/87/20/1414608720.db2.gz GRBPOMUCSBAMIP-UHFFFAOYSA-N 2 2 390.528 3.047 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000122966515 1414608724 /nfs/dbraw/zinc/60/87/24/1414608724.db2.gz GRBPOMUCSBAMIP-UHFFFAOYSA-N 2 2 390.528 3.047 20 0 GGADLP COc1ccc2cc([C@H](C)C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000122976531 1414610759 /nfs/dbraw/zinc/61/07/59/1414610759.db2.gz ZJBFGZAGCXOZTF-SFHVURJKSA-N 2 2 397.563 3.436 20 0 GGADLP COc1ccc2cc([C@H](C)C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)ccc2c1 ZINC000122976531 1414610766 /nfs/dbraw/zinc/61/07/66/1414610766.db2.gz ZJBFGZAGCXOZTF-SFHVURJKSA-N 2 2 397.563 3.436 20 0 GGADLP CC1(C)[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1c1ccccc1 ZINC000123098050 1414641104 /nfs/dbraw/zinc/64/11/04/1414641104.db2.gz NISXAEOSQIEZIF-LEWJYISDSA-N 2 2 392.547 3.292 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000123502955 1414754327 /nfs/dbraw/zinc/75/43/27/1414754327.db2.gz GPRNBELDKMJFBG-AWEZNQCLSA-N 2 2 380.414 3.332 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000123502955 1414754339 /nfs/dbraw/zinc/75/43/39/1414754339.db2.gz GPRNBELDKMJFBG-AWEZNQCLSA-N 2 2 380.414 3.332 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123555647 1414772845 /nfs/dbraw/zinc/77/28/45/1414772845.db2.gz FTPHAGOMPOVHMK-HUUCEWRRSA-N 2 2 392.450 3.303 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000123628361 1414800269 /nfs/dbraw/zinc/80/02/69/1414800269.db2.gz OHOVAUHUMAYDBU-MRXNPFEDSA-N 2 2 377.488 3.470 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000123628361 1414800273 /nfs/dbraw/zinc/80/02/73/1414800273.db2.gz OHOVAUHUMAYDBU-MRXNPFEDSA-N 2 2 377.488 3.470 20 0 GGADLP CN(C(=O)c1ccnc(Cl)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000123643214 1414802661 /nfs/dbraw/zinc/80/26/61/1414802661.db2.gz LUJQXVVAIMPQCM-SJORKVTESA-N 2 2 396.938 3.283 20 0 GGADLP CN(C(=O)c1ccnc(Cl)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000123643214 1414802667 /nfs/dbraw/zinc/80/26/67/1414802667.db2.gz LUJQXVVAIMPQCM-SJORKVTESA-N 2 2 396.938 3.283 20 0 GGADLP COC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123646733 1414803624 /nfs/dbraw/zinc/80/36/24/1414803624.db2.gz DIZSLRRKDPYBCV-UHFFFAOYSA-N 2 2 395.569 3.144 20 0 GGADLP CCc1cc2c(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc(=O)oc2cc1O ZINC000123656664 1414804648 /nfs/dbraw/zinc/80/46/48/1414804648.db2.gz DNQUOHRTVSQXLJ-HNNXBMFYSA-N 2 2 381.476 3.249 20 0 GGADLP CCc1cc2c(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)cc(=O)oc2cc1O ZINC000123656664 1414804651 /nfs/dbraw/zinc/80/46/51/1414804651.db2.gz DNQUOHRTVSQXLJ-HNNXBMFYSA-N 2 2 381.476 3.249 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000123701203 1414811969 /nfs/dbraw/zinc/81/19/69/1414811969.db2.gz CGSMBMJRAQUBEQ-MRXNPFEDSA-N 2 2 394.475 3.396 20 0 GGADLP CCN(C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1nc2ccccc2s1 ZINC000123814331 1414828435 /nfs/dbraw/zinc/82/84/35/1414828435.db2.gz XLQGRZRJQVVEDI-MRXNPFEDSA-N 2 2 397.548 3.337 20 0 GGADLP CCN(C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1nc2ccccc2s1 ZINC000123814331 1414828440 /nfs/dbraw/zinc/82/84/40/1414828440.db2.gz XLQGRZRJQVVEDI-MRXNPFEDSA-N 2 2 397.548 3.337 20 0 GGADLP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123841356 1414832690 /nfs/dbraw/zinc/83/26/90/1414832690.db2.gz LQVLBVAWOMOXSP-HNNXBMFYSA-N 2 2 390.915 3.284 20 0 GGADLP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000123841356 1414832692 /nfs/dbraw/zinc/83/26/92/1414832692.db2.gz LQVLBVAWOMOXSP-HNNXBMFYSA-N 2 2 390.915 3.284 20 0 GGADLP CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000123877172 1414841210 /nfs/dbraw/zinc/84/12/10/1414841210.db2.gz ACGXNIFTARQTKG-QGZVFWFLSA-N 2 2 384.499 3.084 20 0 GGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)COc1ccc(C(F)(F)F)cc1 ZINC000124073588 1414880470 /nfs/dbraw/zinc/88/04/70/1414880470.db2.gz YIQQYQUOPGWMRX-SFHVURJKSA-N 2 2 391.393 3.421 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000124196149 1414905829 /nfs/dbraw/zinc/90/58/29/1414905829.db2.gz QBPFXVOTNKYKCB-PZJWPPBQSA-N 2 2 389.609 3.261 20 0 GGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000124196149 1414905834 /nfs/dbraw/zinc/90/58/34/1414905834.db2.gz QBPFXVOTNKYKCB-PZJWPPBQSA-N 2 2 389.609 3.261 20 0 GGADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000177738271 1428846589 /nfs/dbraw/zinc/84/65/89/1428846589.db2.gz KTYMCRNJOACIEK-GHTZIAJQSA-N 2 2 381.524 3.272 20 0 GGADLP CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000124198242 1414906574 /nfs/dbraw/zinc/90/65/74/1414906574.db2.gz PFQFDISVMZIWDX-LJQANCHMSA-N 2 2 398.551 3.146 20 0 GGADLP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124246486 1414918778 /nfs/dbraw/zinc/91/87/78/1414918778.db2.gz PGPNXUXZJZVSRG-UONOGXRCSA-N 2 2 385.537 3.389 20 0 GGADLP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124246486 1414918783 /nfs/dbraw/zinc/91/87/83/1414918783.db2.gz PGPNXUXZJZVSRG-UONOGXRCSA-N 2 2 385.537 3.389 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[N@H+](C)CCCn3cc[nH+]c3)ccc2c1 ZINC000124264866 1414924569 /nfs/dbraw/zinc/92/45/69/1414924569.db2.gz MHIDJDRSESOZML-UHFFFAOYSA-N 2 2 380.492 3.025 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+](C)CCCn3cc[nH+]c3)ccc2c1 ZINC000124264866 1414924576 /nfs/dbraw/zinc/92/45/76/1414924576.db2.gz MHIDJDRSESOZML-UHFFFAOYSA-N 2 2 380.492 3.025 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124286057 1414929333 /nfs/dbraw/zinc/92/93/33/1414929333.db2.gz UDIXVEXZZWGOIL-SFHVURJKSA-N 2 2 380.496 3.035 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124286057 1414929341 /nfs/dbraw/zinc/92/93/41/1414929341.db2.gz UDIXVEXZZWGOIL-SFHVURJKSA-N 2 2 380.496 3.035 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124339644 1414943402 /nfs/dbraw/zinc/94/34/02/1414943402.db2.gz TUWOPWAITLFSCV-TZIWHRDSSA-N 2 2 397.567 3.230 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000124339644 1414943406 /nfs/dbraw/zinc/94/34/06/1414943406.db2.gz TUWOPWAITLFSCV-TZIWHRDSSA-N 2 2 397.567 3.230 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000124380282 1414953068 /nfs/dbraw/zinc/95/30/68/1414953068.db2.gz OCFXXNIDIPCSOY-UHFFFAOYSA-N 2 2 375.944 3.046 20 0 GGADLP C[C@@H]1CCc2c(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)csc2C1 ZINC000124382538 1414953546 /nfs/dbraw/zinc/95/35/46/1414953546.db2.gz QMUTYPWWRBHBEV-OAHLLOKOSA-N 2 2 375.582 3.161 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000124387914 1414955019 /nfs/dbraw/zinc/95/50/19/1414955019.db2.gz XGLSGELFXCCRQX-UHFFFAOYSA-N 2 2 394.523 3.327 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC000124387914 1414955023 /nfs/dbraw/zinc/95/50/23/1414955023.db2.gz XGLSGELFXCCRQX-UHFFFAOYSA-N 2 2 394.523 3.327 20 0 GGADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124456565 1414972631 /nfs/dbraw/zinc/97/26/31/1414972631.db2.gz FIPCIGIOVYRNMQ-LJQANCHMSA-N 2 2 376.504 3.499 20 0 GGADLP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124456565 1414972636 /nfs/dbraw/zinc/97/26/36/1414972636.db2.gz FIPCIGIOVYRNMQ-LJQANCHMSA-N 2 2 376.504 3.499 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000124457219 1414972687 /nfs/dbraw/zinc/97/26/87/1414972687.db2.gz XCNWFFXKLWJNIF-AEFFLSMTSA-N 2 2 376.570 3.153 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000124457219 1414972694 /nfs/dbraw/zinc/97/26/94/1414972694.db2.gz XCNWFFXKLWJNIF-AEFFLSMTSA-N 2 2 376.570 3.153 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000124456517 1414972803 /nfs/dbraw/zinc/97/28/03/1414972803.db2.gz XCNWFFXKLWJNIF-FUHWJXTLSA-N 2 2 376.570 3.153 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000124456517 1414972804 /nfs/dbraw/zinc/97/28/04/1414972804.db2.gz XCNWFFXKLWJNIF-FUHWJXTLSA-N 2 2 376.570 3.153 20 0 GGADLP CSc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124543134 1414990796 /nfs/dbraw/zinc/99/07/96/1414990796.db2.gz LPDINCGVLANNMZ-IRXDYDNUSA-N 2 2 379.570 3.411 20 0 GGADLP CSc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124543134 1414990802 /nfs/dbraw/zinc/99/08/02/1414990802.db2.gz LPDINCGVLANNMZ-IRXDYDNUSA-N 2 2 379.570 3.411 20 0 GGADLP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177768062 1428853680 /nfs/dbraw/zinc/85/36/80/1428853680.db2.gz MUEVEDWNFIAOLI-UHFFFAOYSA-N 2 2 385.537 3.449 20 0 GGADLP CN(C(=O)Cc1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124561733 1414994370 /nfs/dbraw/zinc/99/43/70/1414994370.db2.gz QGTPKYCBMGTPOH-RTWAWAEBSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124561733 1414994372 /nfs/dbraw/zinc/99/43/72/1414994372.db2.gz QGTPKYCBMGTPOH-RTWAWAEBSA-N 2 2 393.522 3.303 20 0 GGADLP Cc1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124562202 1414994992 /nfs/dbraw/zinc/99/49/92/1414994992.db2.gz FGKBLLZFNPXROA-ZWKOTPCHSA-N 2 2 378.586 3.169 20 0 GGADLP Cc1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124562202 1414994994 /nfs/dbraw/zinc/99/49/94/1414994994.db2.gz FGKBLLZFNPXROA-ZWKOTPCHSA-N 2 2 378.586 3.169 20 0 GGADLP Cc1ccc(OCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124564243 1414995007 /nfs/dbraw/zinc/99/50/07/1414995007.db2.gz WSAVXZLZVBPFPD-VXKWHMMOSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccc(OCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124564243 1414995012 /nfs/dbraw/zinc/99/50/12/1414995012.db2.gz WSAVXZLZVBPFPD-VXKWHMMOSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccc(OCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124564454 1414995382 /nfs/dbraw/zinc/99/53/82/1414995382.db2.gz WSAVXZLZVBPFPD-FGZHOGPDSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccc(OCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124564454 1414995387 /nfs/dbraw/zinc/99/53/87/1414995387.db2.gz WSAVXZLZVBPFPD-FGZHOGPDSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1cccc2nc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cn21 ZINC000124568494 1414996312 /nfs/dbraw/zinc/99/63/12/1414996312.db2.gz HHNWSIUAXKULQY-LEWJYISDSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1cccc2nc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cn21 ZINC000124568494 1414996313 /nfs/dbraw/zinc/99/63/13/1414996313.db2.gz HHNWSIUAXKULQY-LEWJYISDSA-N 2 2 397.567 3.052 20 0 GGADLP CN(C(=O)CC1CCSCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124578490 1414997873 /nfs/dbraw/zinc/99/78/73/1414997873.db2.gz DAXKFBDGEOCDMV-PMACEKPBSA-N 2 2 381.630 3.315 20 0 GGADLP CN(C(=O)CC1CCSCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124578490 1414997875 /nfs/dbraw/zinc/99/78/75/1414997875.db2.gz DAXKFBDGEOCDMV-PMACEKPBSA-N 2 2 381.630 3.315 20 0 GGADLP Cc1nc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124585435 1414999802 /nfs/dbraw/zinc/99/98/02/1414999802.db2.gz UMRHYBSOWBMIBQ-MOPGFXCFSA-N 2 2 392.975 3.453 20 0 GGADLP Cc1nc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124585435 1414999804 /nfs/dbraw/zinc/99/98/04/1414999804.db2.gz UMRHYBSOWBMIBQ-MOPGFXCFSA-N 2 2 392.975 3.453 20 0 GGADLP CC(=O)c1csc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124588534 1415000647 /nfs/dbraw/zinc/00/06/47/1415000647.db2.gz SMJWAFDTCMFVGX-RTBURBONSA-N 2 2 391.581 3.360 20 0 GGADLP CC(=O)c1csc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124588534 1415000652 /nfs/dbraw/zinc/00/06/52/1415000652.db2.gz SMJWAFDTCMFVGX-RTBURBONSA-N 2 2 391.581 3.360 20 0 GGADLP CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124609711 1415004774 /nfs/dbraw/zinc/00/47/74/1415004774.db2.gz DBPRPPBREIFDGF-VXKWHMMOSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124609711 1415004776 /nfs/dbraw/zinc/00/47/76/1415004776.db2.gz DBPRPPBREIFDGF-VXKWHMMOSA-N 2 2 385.552 3.298 20 0 GGADLP CCc1nc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124643295 1415012160 /nfs/dbraw/zinc/01/21/60/1415012160.db2.gz DQFSCMCPEFUGLL-RBUKOAKNSA-N 2 2 392.613 3.044 20 0 GGADLP CCc1nc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124643295 1415012165 /nfs/dbraw/zinc/01/21/65/1415012165.db2.gz DQFSCMCPEFUGLL-RBUKOAKNSA-N 2 2 392.613 3.044 20 0 GGADLP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177774660 1428855677 /nfs/dbraw/zinc/85/56/77/1428855677.db2.gz HDEQIQDGMUFCQW-UHFFFAOYSA-N 2 2 379.508 3.040 20 0 GGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000124686081 1415021296 /nfs/dbraw/zinc/02/12/96/1415021296.db2.gz RNAAEPYTPYZXAW-XHCCPWGMSA-N 2 2 385.577 3.287 20 0 GGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([S@](C)=O)cc1 ZINC000124685912 1415021489 /nfs/dbraw/zinc/02/14/89/1415021489.db2.gz RNAAEPYTPYZXAW-UZTOHYMASA-N 2 2 385.577 3.287 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+]C3(c4ccc(F)cc4F)CCCC3)cn2)CC1 ZINC000124691510 1415022802 /nfs/dbraw/zinc/02/28/02/1415022802.db2.gz XXKCGWIWJHVXCD-UHFFFAOYSA-N 2 2 387.478 3.066 20 0 GGADLP Cc1nc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124705307 1415025999 /nfs/dbraw/zinc/02/59/99/1415025999.db2.gz LGRKNPQKDIJXII-UXHICEINSA-N 2 2 392.613 3.098 20 0 GGADLP Cc1nc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124705307 1415026002 /nfs/dbraw/zinc/02/60/02/1415026002.db2.gz LGRKNPQKDIJXII-UXHICEINSA-N 2 2 392.613 3.098 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000177791697 1428859342 /nfs/dbraw/zinc/85/93/42/1428859342.db2.gz HWPUFVXDAMXFDQ-UHFFFAOYSA-N 2 2 391.519 3.184 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000177791697 1428859343 /nfs/dbraw/zinc/85/93/43/1428859343.db2.gz HWPUFVXDAMXFDQ-UHFFFAOYSA-N 2 2 391.519 3.184 20 0 GGADLP COCc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124735127 1415032467 /nfs/dbraw/zinc/03/24/67/1415032467.db2.gz OFMPVTNHUFBOPX-VXKWHMMOSA-N 2 2 387.568 3.242 20 0 GGADLP COCc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124735127 1415032470 /nfs/dbraw/zinc/03/24/70/1415032470.db2.gz OFMPVTNHUFBOPX-VXKWHMMOSA-N 2 2 387.568 3.242 20 0 GGADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177794129 1428859837 /nfs/dbraw/zinc/85/98/37/1428859837.db2.gz IXXZVQDVKDCIQI-UHFFFAOYSA-N 2 2 377.492 3.140 20 0 GGADLP CN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124742484 1415034106 /nfs/dbraw/zinc/03/41/06/1415034106.db2.gz UCSXTHWAZAMLCV-SFTDATJTSA-N 2 2 385.552 3.031 20 0 GGADLP CN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124742484 1415034116 /nfs/dbraw/zinc/03/41/16/1415034116.db2.gz UCSXTHWAZAMLCV-SFTDATJTSA-N 2 2 385.552 3.031 20 0 GGADLP CN(C(=O)CCC(=O)c1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124745349 1415034439 /nfs/dbraw/zinc/03/44/39/1415034439.db2.gz WQOGFKUUVGVWNP-YADHBBJMSA-N 2 2 399.579 3.445 20 0 GGADLP CN(C(=O)CCC(=O)c1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124745349 1415034446 /nfs/dbraw/zinc/03/44/46/1415034446.db2.gz WQOGFKUUVGVWNP-YADHBBJMSA-N 2 2 399.579 3.445 20 0 GGADLP CCOc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124780728 1415042837 /nfs/dbraw/zinc/04/28/37/1415042837.db2.gz HNTFXXWVONPEKF-FCHUYYIVSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124780728 1415042841 /nfs/dbraw/zinc/04/28/41/1415042841.db2.gz HNTFXXWVONPEKF-FCHUYYIVSA-N 2 2 387.568 3.495 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124782164 1415043076 /nfs/dbraw/zinc/04/30/76/1415043076.db2.gz SIGMLZTVMXJYJC-IRLDBZIGSA-N 2 2 393.535 3.090 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000124782164 1415043082 /nfs/dbraw/zinc/04/30/82/1415043082.db2.gz SIGMLZTVMXJYJC-IRLDBZIGSA-N 2 2 393.535 3.090 20 0 GGADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124791198 1415045071 /nfs/dbraw/zinc/04/50/71/1415045071.db2.gz UHSUHBYXPRHPCU-UXHICEINSA-N 2 2 391.531 3.244 20 0 GGADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124791198 1415045077 /nfs/dbraw/zinc/04/50/77/1415045077.db2.gz UHSUHBYXPRHPCU-UXHICEINSA-N 2 2 391.531 3.244 20 0 GGADLP C[C@H](Oc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124798031 1415046412 /nfs/dbraw/zinc/04/64/12/1415046412.db2.gz LOXQYFNIUOOLTE-NYVOZVTQSA-N 2 2 387.568 3.250 20 0 GGADLP C[C@H](Oc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124798031 1415046419 /nfs/dbraw/zinc/04/64/19/1415046419.db2.gz LOXQYFNIUOOLTE-NYVOZVTQSA-N 2 2 387.568 3.250 20 0 GGADLP C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000177799242 1428860977 /nfs/dbraw/zinc/86/09/77/1428860977.db2.gz IHCFJLXJLGYTKS-DENIHFKCSA-N 2 2 395.551 3.388 20 0 GGADLP CN(C(=O)CCOc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124856385 1415060107 /nfs/dbraw/zinc/06/01/07/1415060107.db2.gz YKECFJLTNKCVGE-VXKWHMMOSA-N 2 2 387.568 3.251 20 0 GGADLP CN(C(=O)CCOc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124856385 1415060109 /nfs/dbraw/zinc/06/01/09/1415060109.db2.gz YKECFJLTNKCVGE-VXKWHMMOSA-N 2 2 387.568 3.251 20 0 GGADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1S(C)(=O)=O ZINC000177806417 1428862061 /nfs/dbraw/zinc/86/20/61/1428862061.db2.gz RPQYPYYCPZRHGR-OAHLLOKOSA-N 2 2 385.489 3.135 20 0 GGADLP CC[NH+]1CCN([C@H]2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)CC1 ZINC000124868551 1415062845 /nfs/dbraw/zinc/06/28/45/1415062845.db2.gz RCJWEOVCQDKXEZ-INIZCTEOSA-N 2 2 378.442 3.470 20 0 GGADLP CCN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)CC1 ZINC000124868551 1415062850 /nfs/dbraw/zinc/06/28/50/1415062850.db2.gz RCJWEOVCQDKXEZ-INIZCTEOSA-N 2 2 378.442 3.470 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124885414 1415066880 /nfs/dbraw/zinc/06/68/80/1415066880.db2.gz ILXVYSVRFPWUCA-UXHICEINSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124885414 1415066884 /nfs/dbraw/zinc/06/68/84/1415066884.db2.gz ILXVYSVRFPWUCA-UXHICEINSA-N 2 2 393.522 3.303 20 0 GGADLP C[C@@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177789024 1428858767 /nfs/dbraw/zinc/85/87/67/1428858767.db2.gz LOPHQHBICOMJGN-GOSISDBHSA-N 2 2 377.492 3.140 20 0 GGADLP C[C@@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177789024 1428858768 /nfs/dbraw/zinc/85/87/68/1428858768.db2.gz LOPHQHBICOMJGN-GOSISDBHSA-N 2 2 377.492 3.140 20 0 GGADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000125036502 1415096639 /nfs/dbraw/zinc/09/66/39/1415096639.db2.gz IWRSFXMEUKUICC-UHFFFAOYSA-N 2 2 377.448 3.015 20 0 GGADLP C[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000125189162 1415127210 /nfs/dbraw/zinc/12/72/10/1415127210.db2.gz IYWJTEVHUUMWLZ-MRXNPFEDSA-N 2 2 377.960 3.193 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000177845533 1428871370 /nfs/dbraw/zinc/87/13/70/1428871370.db2.gz DQPNGZNDUQQASA-MSOLQXFVSA-N 2 2 383.496 3.053 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000177845533 1428871371 /nfs/dbraw/zinc/87/13/71/1428871371.db2.gz DQPNGZNDUQQASA-MSOLQXFVSA-N 2 2 383.496 3.053 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000125443352 1415200853 /nfs/dbraw/zinc/20/08/53/1415200853.db2.gz DGNVCTHKQRDNDO-UHFFFAOYSA-N 2 2 394.523 3.148 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125498442 1415214741 /nfs/dbraw/zinc/21/47/41/1415214741.db2.gz XEVCYNKJLMCWJR-NQIIRXRSSA-N 2 2 379.508 3.031 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000125498442 1415214746 /nfs/dbraw/zinc/21/47/46/1415214746.db2.gz XEVCYNKJLMCWJR-NQIIRXRSSA-N 2 2 379.508 3.031 20 0 GGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000177865633 1428877689 /nfs/dbraw/zinc/87/76/89/1428877689.db2.gz FYEDFZWJTBOZCI-OPYAIIAOSA-N 2 2 384.593 3.390 20 0 GGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000177865633 1428877691 /nfs/dbraw/zinc/87/76/91/1428877691.db2.gz FYEDFZWJTBOZCI-OPYAIIAOSA-N 2 2 384.593 3.390 20 0 GGADLP CCOC(=O)N[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)CC(C)C ZINC000125567843 1415228655 /nfs/dbraw/zinc/22/86/55/1415228655.db2.gz GNEIRMPPMFEPSA-LJQANCHMSA-N 2 2 390.572 3.472 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C[C@H](C)O1 ZINC000125586424 1415232453 /nfs/dbraw/zinc/23/24/53/1415232453.db2.gz NACVDOFLZBEKOB-VWNVYAMZSA-N 2 2 396.535 3.216 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C[C@H](C)O1 ZINC000125586424 1415232461 /nfs/dbraw/zinc/23/24/61/1415232461.db2.gz NACVDOFLZBEKOB-VWNVYAMZSA-N 2 2 396.535 3.216 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000125659802 1415248435 /nfs/dbraw/zinc/24/84/35/1415248435.db2.gz UHBROPLINIPKGW-OAQYLSRUSA-N 2 2 377.492 3.034 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000125672580 1415251366 /nfs/dbraw/zinc/25/13/66/1415251366.db2.gz FTHAOPYGOMINME-OFNKIYASSA-N 2 2 398.595 3.256 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(OC)c1 ZINC000177917309 1428891008 /nfs/dbraw/zinc/89/10/08/1428891008.db2.gz QJYRHBRKWXYCQR-FQEVSTJZSA-N 2 2 395.507 3.225 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)Cc1ccccc1 ZINC000177943907 1428897059 /nfs/dbraw/zinc/89/70/59/1428897059.db2.gz XKZGTFADDYSVOH-HXUWFJFHSA-N 2 2 379.508 3.087 20 0 GGADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)o1 ZINC000126049454 1415344737 /nfs/dbraw/zinc/34/47/37/1415344737.db2.gz YQPYDKLDPFYENQ-UHFFFAOYSA-N 2 2 384.524 3.098 20 0 GGADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177930648 1428894014 /nfs/dbraw/zinc/89/40/14/1428894014.db2.gz LATFPHFLSDSXAP-UHFFFAOYSA-N 2 2 395.507 3.054 20 0 GGADLP C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126162636 1415374030 /nfs/dbraw/zinc/37/40/30/1415374030.db2.gz STLQXGJITFGFMO-PXNSSMCTSA-N 2 2 384.549 3.155 20 0 GGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000177979239 1428912413 /nfs/dbraw/zinc/91/24/13/1428912413.db2.gz DSWWJVXFPGUDJJ-MRXNPFEDSA-N 2 2 375.948 3.245 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000126305387 1415412958 /nfs/dbraw/zinc/41/29/58/1415412958.db2.gz LHPSPELWFKMUPM-QGZVFWFLSA-N 3 2 379.508 3.367 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)cn1 ZINC000126386299 1415433658 /nfs/dbraw/zinc/43/36/58/1415433658.db2.gz QRKJKRJAEDJIAP-OAHLLOKOSA-N 2 2 377.448 3.383 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cn1 ZINC000126418538 1415446450 /nfs/dbraw/zinc/44/64/50/1415446450.db2.gz KKXTUOJEGBOTJF-UHFFFAOYSA-N 2 2 390.535 3.400 20 0 GGADLP COc1cc(Cl)c(C)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126468317 1415462340 /nfs/dbraw/zinc/46/23/40/1415462340.db2.gz WRDHLUJWURBZDS-UHFFFAOYSA-N 2 2 382.936 3.147 20 0 GGADLP COc1cc(Cl)c(C)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126468317 1415462344 /nfs/dbraw/zinc/46/23/44/1415462344.db2.gz WRDHLUJWURBZDS-UHFFFAOYSA-N 2 2 382.936 3.147 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000177996030 1428922714 /nfs/dbraw/zinc/92/27/14/1428922714.db2.gz TUFMIGDQOYPNGL-CVDCTZTESA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000177996030 1428922734 /nfs/dbraw/zinc/92/27/34/1428922734.db2.gz TUFMIGDQOYPNGL-CVDCTZTESA-N 2 2 392.547 3.204 20 0 GGADLP Cc1c(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cnn1-c1cc[nH+]cc1 ZINC000126561232 1415491674 /nfs/dbraw/zinc/49/16/74/1415491674.db2.gz IOJTZWNRXDAERZ-UHFFFAOYSA-N 2 2 388.431 3.104 20 0 GGADLP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000178002557 1428927720 /nfs/dbraw/zinc/92/77/20/1428927720.db2.gz SCCPERYPKBIDIE-OAHLLOKOSA-N 2 2 375.538 3.322 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)CCO2 ZINC000178002430 1428927905 /nfs/dbraw/zinc/92/79/05/1428927905.db2.gz QACMTBLZVKEZHS-SFHVURJKSA-N 2 2 382.504 3.183 20 0 GGADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(F)ccc1F ZINC000126622361 1415509672 /nfs/dbraw/zinc/50/96/72/1415509672.db2.gz CSZHBUOFPGAZHB-HXUWFJFHSA-N 2 2 394.510 3.274 20 0 GGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC000126649518 1415517298 /nfs/dbraw/zinc/51/72/98/1415517298.db2.gz VSQNOBCNECFAFS-UHFFFAOYSA-N 3 2 384.612 3.321 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2)CC1 ZINC000126649518 1415517345 /nfs/dbraw/zinc/51/73/45/1415517345.db2.gz VSQNOBCNECFAFS-UHFFFAOYSA-N 3 2 384.612 3.321 20 0 GGADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(O)ccc1Br ZINC000126878602 1415593433 /nfs/dbraw/zinc/59/34/33/1415593433.db2.gz WAUPCEFNAUMMNT-UHFFFAOYSA-N 2 2 379.298 3.385 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000127229344 1415695485 /nfs/dbraw/zinc/69/54/85/1415695485.db2.gz MXXWHLOPPQMOKR-GOSISDBHSA-N 3 2 376.564 3.493 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127364384 1415753632 /nfs/dbraw/zinc/75/36/32/1415753632.db2.gz GWSZEWABJYFWTC-UHFFFAOYSA-N 2 2 385.512 3.302 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000178132485 1428993761 /nfs/dbraw/zinc/99/37/61/1428993761.db2.gz GJZGTZTYAIZKLU-UXHICEINSA-N 2 2 375.557 3.277 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000178132485 1428993765 /nfs/dbraw/zinc/99/37/65/1428993765.db2.gz GJZGTZTYAIZKLU-UXHICEINSA-N 2 2 375.557 3.277 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000127469546 1415792025 /nfs/dbraw/zinc/79/20/25/1415792025.db2.gz CENFOVNIRLFBPW-UHFFFAOYSA-N 2 2 384.446 3.386 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127480595 1415796565 /nfs/dbraw/zinc/79/65/65/1415796565.db2.gz OIGFNUPNAYQOPR-OAHLLOKOSA-N 2 2 394.510 3.226 20 0 GGADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000127484881 1415798553 /nfs/dbraw/zinc/79/85/53/1415798553.db2.gz VZHSQWBKMPSFOF-OAQYLSRUSA-N 2 2 388.556 3.004 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2n1 ZINC000178249335 1429032516 /nfs/dbraw/zinc/03/25/16/1429032516.db2.gz IVENEWVXPILDHL-GOSISDBHSA-N 2 2 389.503 3.019 20 0 GGADLP C[C@@H]1C[NH+](CCC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@@H](C)O1 ZINC000178257111 1429035456 /nfs/dbraw/zinc/03/54/56/1429035456.db2.gz ZYCAZUYKMDGWGW-RTBURBONSA-N 2 2 396.535 3.224 20 0 GGADLP C[C@H]1C[NH+](CCC2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)C[C@H](C)O1 ZINC000178259877 1429035707 /nfs/dbraw/zinc/03/57/07/1429035707.db2.gz SILNVTOMTQOQKH-OALUTQOASA-N 2 2 396.535 3.224 20 0 GGADLP C[C@@H]1C[NH+](CCC2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)C[C@@H](C)O1 ZINC000178259891 1429036061 /nfs/dbraw/zinc/03/60/61/1429036061.db2.gz SILNVTOMTQOQKH-RTBURBONSA-N 2 2 396.535 3.224 20 0 GGADLP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178274269 1429040009 /nfs/dbraw/zinc/04/00/09/1429040009.db2.gz ODRSCRYEQDPBBE-NHCUHLMSSA-N 2 2 381.524 3.287 20 0 GGADLP CC1(C)Cc2occc2[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000128698639 1416045872 /nfs/dbraw/zinc/04/58/72/1416045872.db2.gz KYSQSFMGEZDQNE-GOSISDBHSA-N 2 2 382.508 3.017 20 0 GGADLP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178316722 1429050525 /nfs/dbraw/zinc/05/05/25/1429050525.db2.gz SRWIHNJRUCKKIP-FCHUYYIVSA-N 2 2 393.535 3.285 20 0 GGADLP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178316737 1429050686 /nfs/dbraw/zinc/05/06/86/1429050686.db2.gz SRWIHNJRUCKKIP-FGZHOGPDSA-N 2 2 393.535 3.285 20 0 GGADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnc2ccsc2c1 ZINC000128779367 1416066241 /nfs/dbraw/zinc/06/62/41/1416066241.db2.gz MJLBVXFFEQMFTC-INIZCTEOSA-N 2 2 395.532 3.081 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000128812594 1416075465 /nfs/dbraw/zinc/07/54/65/1416075465.db2.gz TUGWQGCYADJFTE-QGZVFWFLSA-N 2 2 378.476 3.217 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000178367554 1429062060 /nfs/dbraw/zinc/06/20/60/1429062060.db2.gz NNMYVBOJOMUBPM-UHFFFAOYSA-N 2 2 384.490 3.338 20 0 GGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000129199882 1416169102 /nfs/dbraw/zinc/16/91/02/1416169102.db2.gz COEQFHPAZBYMRR-RHSMWYFYSA-N 2 2 390.325 3.138 20 0 GGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000129199882 1416169108 /nfs/dbraw/zinc/16/91/08/1416169108.db2.gz COEQFHPAZBYMRR-RHSMWYFYSA-N 2 2 390.325 3.138 20 0 GGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000129199882 1416169114 /nfs/dbraw/zinc/16/91/14/1416169114.db2.gz COEQFHPAZBYMRR-RHSMWYFYSA-N 2 2 390.325 3.138 20 0 GGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000129199882 1416169118 /nfs/dbraw/zinc/16/91/18/1416169118.db2.gz COEQFHPAZBYMRR-RHSMWYFYSA-N 2 2 390.325 3.138 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000178446157 1429079531 /nfs/dbraw/zinc/07/95/31/1429079531.db2.gz ACTOYUWERVPIDI-GCJKJVERSA-N 2 2 378.520 3.209 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000178446157 1429079537 /nfs/dbraw/zinc/07/95/37/1429079537.db2.gz ACTOYUWERVPIDI-GCJKJVERSA-N 2 2 378.520 3.209 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129506420 1416220241 /nfs/dbraw/zinc/22/02/41/1416220241.db2.gz YVTLCHYWBRWPCC-YSIASYRMSA-N 2 2 384.524 3.432 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129506420 1416220247 /nfs/dbraw/zinc/22/02/47/1416220247.db2.gz YVTLCHYWBRWPCC-YSIASYRMSA-N 2 2 384.524 3.432 20 0 GGADLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OCC ZINC000129539292 1416224822 /nfs/dbraw/zinc/22/48/22/1416224822.db2.gz ITYDCIVZLKRWDR-SJLPKXTDSA-N 2 2 386.496 3.202 20 0 GGADLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1OCC ZINC000129539292 1416224825 /nfs/dbraw/zinc/22/48/25/1416224825.db2.gz ITYDCIVZLKRWDR-SJLPKXTDSA-N 2 2 386.496 3.202 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129606679 1416236007 /nfs/dbraw/zinc/23/60/07/1416236007.db2.gz GMUABFYVVUMZGS-CVDCTZTESA-N 2 2 375.520 3.310 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129606679 1416236010 /nfs/dbraw/zinc/23/60/10/1416236010.db2.gz GMUABFYVVUMZGS-CVDCTZTESA-N 2 2 375.520 3.310 20 0 GGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000129807996 1416267061 /nfs/dbraw/zinc/26/70/61/1416267061.db2.gz PJJLEAPEMWAOCJ-UHFFFAOYSA-N 2 2 393.000 3.457 20 0 GGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1csc(Cc2ccc(Cl)cc2)n1 ZINC000129807996 1416267068 /nfs/dbraw/zinc/26/70/68/1416267068.db2.gz PJJLEAPEMWAOCJ-UHFFFAOYSA-N 2 2 393.000 3.457 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCc3ccc(Cl)cc3)CC2)CC1 ZINC000129830135 1416270306 /nfs/dbraw/zinc/27/03/06/1416270306.db2.gz RICGNAPWKSNGMX-UHFFFAOYSA-N 2 2 392.975 3.130 20 0 GGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)o1 ZINC000129850340 1416274255 /nfs/dbraw/zinc/27/42/55/1416274255.db2.gz YPDSDAKABCIBSB-UZLBHIALSA-N 2 2 381.524 3.109 20 0 GGADLP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)o1 ZINC000129850340 1416274262 /nfs/dbraw/zinc/27/42/62/1416274262.db2.gz YPDSDAKABCIBSB-UZLBHIALSA-N 2 2 381.524 3.109 20 0 GGADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000129963040 1416291989 /nfs/dbraw/zinc/29/19/89/1416291989.db2.gz PADJCJQFNJOPOE-QAPCUYQASA-N 2 2 396.938 3.037 20 0 GGADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000129963040 1416291998 /nfs/dbraw/zinc/29/19/98/1416291998.db2.gz PADJCJQFNJOPOE-QAPCUYQASA-N 2 2 396.938 3.037 20 0 GGADLP C[C@H]1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000130004677 1416301359 /nfs/dbraw/zinc/30/13/59/1416301359.db2.gz IYYILMDZHFXKHT-PXNSSMCTSA-N 2 2 385.512 3.329 20 0 GGADLP C[C@@H]1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000130004888 1416301383 /nfs/dbraw/zinc/30/13/83/1416301383.db2.gz IYYILMDZHFXKHT-YLJYHZDGSA-N 2 2 385.512 3.329 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130431309 1416376781 /nfs/dbraw/zinc/37/67/81/1416376781.db2.gz VTZCKKHQVTYFPD-CVDCTZTESA-N 2 2 375.520 3.310 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130431309 1416376783 /nfs/dbraw/zinc/37/67/83/1416376783.db2.gz VTZCKKHQVTYFPD-CVDCTZTESA-N 2 2 375.520 3.310 20 0 GGADLP Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(OCC[NH+](C)C)c1 ZINC000130685102 1416424945 /nfs/dbraw/zinc/42/49/45/1416424945.db2.gz XESNZQPOQAYFTK-IEBWSBKVSA-N 2 2 385.512 3.247 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000130891214 1416476384 /nfs/dbraw/zinc/47/63/84/1416476384.db2.gz XRAMBEMYXYXVMO-UHFFFAOYSA-N 2 2 391.519 3.383 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000130891214 1416476389 /nfs/dbraw/zinc/47/63/89/1416476389.db2.gz XRAMBEMYXYXVMO-UHFFFAOYSA-N 2 2 391.519 3.383 20 0 GGADLP COc1cc(OC)cc([C@@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000130997185 1416493058 /nfs/dbraw/zinc/49/30/58/1416493058.db2.gz GIOPAIQOZUSZIX-QHCPKHFHSA-N 2 2 399.535 3.062 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000131033700 1416498967 /nfs/dbraw/zinc/49/89/67/1416498967.db2.gz OTTLETWNJKNJNJ-KRWDZBQOSA-N 2 2 376.508 3.192 20 0 GGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)ccc1-n1cncn1 ZINC000131054999 1416502193 /nfs/dbraw/zinc/50/21/93/1416502193.db2.gz MXUQIUUXZYYXOV-GOSISDBHSA-N 2 2 376.508 3.286 20 0 GGADLP Cc1c(C)c(C)c(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1C ZINC000131111115 1416510469 /nfs/dbraw/zinc/51/04/69/1416510469.db2.gz PSJYKSVKLVLNRL-UHFFFAOYSA-N 2 2 388.600 3.396 20 0 GGADLP Cc1c(C)c(C)c(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1C ZINC000131111115 1416510472 /nfs/dbraw/zinc/51/04/72/1416510472.db2.gz PSJYKSVKLVLNRL-UHFFFAOYSA-N 2 2 388.600 3.396 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccco1 ZINC000131203457 1416523098 /nfs/dbraw/zinc/52/30/98/1416523098.db2.gz OKHDJQVHOFUNJW-ZJOUEHCJSA-N 2 2 393.491 3.307 20 0 GGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131221126 1416525205 /nfs/dbraw/zinc/52/52/05/1416525205.db2.gz JYCHJILSQRPMOZ-ZIAGYGMSSA-N 2 2 378.879 3.494 20 0 GGADLP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131221126 1416525210 /nfs/dbraw/zinc/52/52/10/1416525210.db2.gz JYCHJILSQRPMOZ-ZIAGYGMSSA-N 2 2 378.879 3.494 20 0 GGADLP COc1ccc([C@@H](CNC(=O)N(C)CCCn2cc[nH+]c2)[NH+]2CCCCC2)cc1 ZINC000131226650 1416526626 /nfs/dbraw/zinc/52/66/26/1416526626.db2.gz MGPXSNPBAMLTCM-OAQYLSRUSA-N 2 2 399.539 3.150 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000131251519 1416530052 /nfs/dbraw/zinc/53/00/52/1416530052.db2.gz BQTVVKDOKFRRLH-AWEZNQCLSA-N 2 2 385.493 3.030 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000131251519 1416530055 /nfs/dbraw/zinc/53/00/55/1416530055.db2.gz BQTVVKDOKFRRLH-AWEZNQCLSA-N 2 2 385.493 3.030 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000131263046 1416531774 /nfs/dbraw/zinc/53/17/74/1416531774.db2.gz BJMDDSTWCNRBOO-FUHWJXTLSA-N 2 2 381.442 3.297 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000131263046 1416531777 /nfs/dbraw/zinc/53/17/77/1416531777.db2.gz BJMDDSTWCNRBOO-FUHWJXTLSA-N 2 2 381.442 3.297 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CC4(CCCC4)Oc4ccccc43)cn2)CC1 ZINC000131283465 1416535074 /nfs/dbraw/zinc/53/50/74/1416535074.db2.gz KGFIPBKXEQQMEL-HXUWFJFHSA-N 2 2 393.535 3.155 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000131298299 1416536484 /nfs/dbraw/zinc/53/64/84/1416536484.db2.gz FBWFJBCPNROJII-NHCUHLMSSA-N 2 2 381.524 3.284 20 0 GGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000131345051 1416543147 /nfs/dbraw/zinc/54/31/47/1416543147.db2.gz LVYUQDYIUTYWGY-NRFANRHFSA-N 2 2 384.549 3.062 20 0 GGADLP Fc1cc2cccnc2c(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000131353039 1416544328 /nfs/dbraw/zinc/54/43/28/1416544328.db2.gz QPOCUEFBAJYOHH-UHFFFAOYSA-N 2 2 395.478 3.375 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000131356051 1416544732 /nfs/dbraw/zinc/54/47/32/1416544732.db2.gz PGXBHHIPQROWAV-QFIPXVFZSA-N 2 2 381.520 3.023 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000131356051 1416544735 /nfs/dbraw/zinc/54/47/35/1416544735.db2.gz PGXBHHIPQROWAV-QFIPXVFZSA-N 2 2 381.520 3.023 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131405362 1416552136 /nfs/dbraw/zinc/55/21/36/1416552136.db2.gz QVRISCXHVMHFRQ-HNNXBMFYSA-N 2 2 392.906 3.126 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131405362 1416552139 /nfs/dbraw/zinc/55/21/39/1416552139.db2.gz QVRISCXHVMHFRQ-HNNXBMFYSA-N 2 2 392.906 3.126 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000131405879 1416552539 /nfs/dbraw/zinc/55/25/39/1416552539.db2.gz RUWUYZGXYQOOTN-RXVVDRJESA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000131405879 1416552541 /nfs/dbraw/zinc/55/25/41/1416552541.db2.gz RUWUYZGXYQOOTN-RXVVDRJESA-N 2 2 379.504 3.268 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000131448591 1416559621 /nfs/dbraw/zinc/55/96/21/1416559621.db2.gz HIMWHJFEGLNPIV-SFHVURJKSA-N 2 2 383.458 3.052 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000131448591 1416559623 /nfs/dbraw/zinc/55/96/23/1416559623.db2.gz HIMWHJFEGLNPIV-SFHVURJKSA-N 2 2 383.458 3.052 20 0 GGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@](C)(O)C[NH+](C)C)c1 ZINC000131533620 1416572559 /nfs/dbraw/zinc/57/25/59/1416572559.db2.gz MJYXEONLPGCTKI-DEOSSOPVSA-N 2 2 392.547 3.309 20 0 GGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)cc1 ZINC000131533370 1416572683 /nfs/dbraw/zinc/57/26/83/1416572683.db2.gz COAWIMYCYYZPEO-XMMPIXPASA-N 2 2 392.547 3.309 20 0 GGADLP COc1cc(C[NH2+]C[C@@](C)(O)C[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000131537061 1416573149 /nfs/dbraw/zinc/57/31/49/1416573149.db2.gz FZVZLPVZIXVYNE-OAQYLSRUSA-N 2 2 392.927 3.330 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000131635939 1416587775 /nfs/dbraw/zinc/58/77/75/1416587775.db2.gz CXFIXAHZBIWHTO-VQIMIIECSA-N 2 2 382.508 3.169 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000131635939 1416587779 /nfs/dbraw/zinc/58/77/79/1416587779.db2.gz CXFIXAHZBIWHTO-VQIMIIECSA-N 2 2 382.508 3.169 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000131636129 1416587796 /nfs/dbraw/zinc/58/77/96/1416587796.db2.gz CXFIXAHZBIWHTO-APWZRJJASA-N 2 2 382.508 3.169 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000131636129 1416587802 /nfs/dbraw/zinc/58/78/02/1416587802.db2.gz CXFIXAHZBIWHTO-APWZRJJASA-N 2 2 382.508 3.169 20 0 GGADLP O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000132130510 1416703734 /nfs/dbraw/zinc/70/37/34/1416703734.db2.gz MRQMZOFBMPNJJP-LEWJYISDSA-N 2 2 379.508 3.038 20 0 GGADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1Cl ZINC000132136892 1416705373 /nfs/dbraw/zinc/70/53/73/1416705373.db2.gz AZFKVNQXALSIJY-AWEZNQCLSA-N 2 2 396.938 3.398 20 0 GGADLP CC1CC[NH+](C2CCC(Nc3cc(N4CCC[C@H](CO)C4)[nH+]cn3)CC2)CC1 ZINC000132210037 1416717595 /nfs/dbraw/zinc/71/75/95/1416717595.db2.gz SXDIISRKQPTEOF-HDYDNRTBSA-N 2 2 387.572 3.140 20 0 GGADLP CC1CC[NH+](C2CCC(Nc3cc(N4CCC[C@H](CO)C4)nc[nH+]3)CC2)CC1 ZINC000132210037 1416717597 /nfs/dbraw/zinc/71/75/97/1416717597.db2.gz SXDIISRKQPTEOF-HDYDNRTBSA-N 2 2 387.572 3.140 20 0 GGADLP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132277978 1416728087 /nfs/dbraw/zinc/72/80/87/1416728087.db2.gz PFQUHPLQAQUUCM-REWPJTCUSA-N 2 2 389.547 3.369 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000132617213 1416794157 /nfs/dbraw/zinc/79/41/57/1416794157.db2.gz HJQXKURJJKVOKC-JOCHJYFZSA-N 2 2 393.531 3.000 20 0 GGADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000132791117 1416815341 /nfs/dbraw/zinc/81/53/41/1416815341.db2.gz DEOSVDMEDKWEHB-JRGCBEDISA-N 2 2 381.524 3.143 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000132791117 1416815342 /nfs/dbraw/zinc/81/53/42/1416815342.db2.gz DEOSVDMEDKWEHB-JRGCBEDISA-N 2 2 381.524 3.143 20 0 GGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000132822462 1416819472 /nfs/dbraw/zinc/81/94/72/1416819472.db2.gz FQOODPQCODTREZ-QMMLZNLJSA-N 2 2 381.524 3.285 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCN3CCc4sccc4C3)CC2)cc1 ZINC000132879957 1416826352 /nfs/dbraw/zinc/82/63/52/1416826352.db2.gz FHCJZDMHRZABDY-UHFFFAOYSA-N 2 2 384.593 3.431 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4ccccc4c(Cl)n3)CC2)CC1 ZINC000178665672 1429132851 /nfs/dbraw/zinc/13/28/51/1429132851.db2.gz UTLNAOAYSUWGFI-UHFFFAOYSA-N 2 2 386.927 3.177 20 0 GGADLP COC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133019109 1416842671 /nfs/dbraw/zinc/84/26/71/1416842671.db2.gz UYAAJQMSSXYNMB-BEFAXECRSA-N 2 2 386.458 3.483 20 0 GGADLP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000133156096 1416858361 /nfs/dbraw/zinc/85/83/61/1416858361.db2.gz JUEZAHOZQDMJQT-UHFFFAOYSA-N 2 2 386.561 3.277 20 0 GGADLP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000133463278 1416892209 /nfs/dbraw/zinc/89/22/09/1416892209.db2.gz CAIKTLHWWFMJDU-OAQYLSRUSA-N 2 2 380.536 3.124 20 0 GGADLP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000133463278 1416892211 /nfs/dbraw/zinc/89/22/11/1416892211.db2.gz CAIKTLHWWFMJDU-OAQYLSRUSA-N 2 2 380.536 3.124 20 0 GGADLP COc1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000133467929 1416892790 /nfs/dbraw/zinc/89/27/90/1416892790.db2.gz DWBLYMICUHWUOY-QFIPXVFZSA-N 2 2 394.563 3.167 20 0 GGADLP COc1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000133467929 1416892792 /nfs/dbraw/zinc/89/27/92/1416892792.db2.gz DWBLYMICUHWUOY-QFIPXVFZSA-N 2 2 394.563 3.167 20 0 GGADLP O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000133630809 1416925859 /nfs/dbraw/zinc/92/58/59/1416925859.db2.gz XVXUYQYSKRKBBK-XZOQPEGZSA-N 2 2 393.531 3.383 20 0 GGADLP Cc1c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1cc[nH+]cc1 ZINC000134704684 1417114758 /nfs/dbraw/zinc/11/47/58/1417114758.db2.gz QHOFCUGYDNZQQB-IBGZPJMESA-N 2 2 379.464 3.126 20 0 GGADLP CSc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134865175 1417135494 /nfs/dbraw/zinc/13/54/94/1417135494.db2.gz VLDNDCOFKIRJHF-NQIIRXRSSA-N 2 2 387.593 3.316 20 0 GGADLP CSc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134865175 1417135501 /nfs/dbraw/zinc/13/55/01/1417135501.db2.gz VLDNDCOFKIRJHF-NQIIRXRSSA-N 2 2 387.593 3.316 20 0 GGADLP CSc1ccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134865175 1417135507 /nfs/dbraw/zinc/13/55/07/1417135507.db2.gz VLDNDCOFKIRJHF-NQIIRXRSSA-N 2 2 387.593 3.316 20 0 GGADLP CSc1ccc(CN(C)C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134865175 1417135510 /nfs/dbraw/zinc/13/55/10/1417135510.db2.gz VLDNDCOFKIRJHF-NQIIRXRSSA-N 2 2 387.593 3.316 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134880504 1417139020 /nfs/dbraw/zinc/13/90/20/1417139020.db2.gz ZLZZMTUOCKOXHR-FYYLOGMGSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134880504 1417139023 /nfs/dbraw/zinc/13/90/23/1417139023.db2.gz ZLZZMTUOCKOXHR-FYYLOGMGSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134880504 1417139026 /nfs/dbraw/zinc/13/90/26/1417139026.db2.gz ZLZZMTUOCKOXHR-FYYLOGMGSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134880504 1417139029 /nfs/dbraw/zinc/13/90/29/1417139029.db2.gz ZLZZMTUOCKOXHR-FYYLOGMGSA-N 2 2 399.579 3.177 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000134923997 1417145677 /nfs/dbraw/zinc/14/56/77/1417145677.db2.gz JQQQZLIDNHNBBP-UZUQRXQVSA-N 2 2 392.547 3.001 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000134923997 1417145684 /nfs/dbraw/zinc/14/56/84/1417145684.db2.gz JQQQZLIDNHNBBP-UZUQRXQVSA-N 2 2 392.547 3.001 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000134923997 1417145689 /nfs/dbraw/zinc/14/56/89/1417145689.db2.gz JQQQZLIDNHNBBP-UZUQRXQVSA-N 2 2 392.547 3.001 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000134923997 1417145698 /nfs/dbraw/zinc/14/56/98/1417145698.db2.gz JQQQZLIDNHNBBP-UZUQRXQVSA-N 2 2 392.547 3.001 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134924387 1417145747 /nfs/dbraw/zinc/14/57/47/1417145747.db2.gz QPBTUCJGAZVTNJ-FYYLOGMGSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134924387 1417145751 /nfs/dbraw/zinc/14/57/51/1417145751.db2.gz QPBTUCJGAZVTNJ-FYYLOGMGSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134924387 1417145755 /nfs/dbraw/zinc/14/57/55/1417145755.db2.gz QPBTUCJGAZVTNJ-FYYLOGMGSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134924387 1417145758 /nfs/dbraw/zinc/14/57/58/1417145758.db2.gz QPBTUCJGAZVTNJ-FYYLOGMGSA-N 2 2 383.580 3.417 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922323 1417145914 /nfs/dbraw/zinc/14/59/14/1417145914.db2.gz SWCXDYAQNMSNHJ-XKGFGPFHSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922323 1417145917 /nfs/dbraw/zinc/14/59/17/1417145917.db2.gz SWCXDYAQNMSNHJ-XKGFGPFHSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134922323 1417145918 /nfs/dbraw/zinc/14/59/18/1417145918.db2.gz SWCXDYAQNMSNHJ-XKGFGPFHSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134922323 1417145920 /nfs/dbraw/zinc/14/59/20/1417145920.db2.gz SWCXDYAQNMSNHJ-XKGFGPFHSA-N 2 2 385.552 3.210 20 0 GGADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134935316 1417147524 /nfs/dbraw/zinc/14/75/24/1417147524.db2.gz RGEBVCZMGSKUKY-FYYLOGMGSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134935316 1417147530 /nfs/dbraw/zinc/14/75/30/1417147530.db2.gz RGEBVCZMGSKUKY-FYYLOGMGSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134935316 1417147538 /nfs/dbraw/zinc/14/75/38/1417147538.db2.gz RGEBVCZMGSKUKY-FYYLOGMGSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134935316 1417147541 /nfs/dbraw/zinc/14/75/41/1417147541.db2.gz RGEBVCZMGSKUKY-FYYLOGMGSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945378 1417149972 /nfs/dbraw/zinc/14/99/72/1417149972.db2.gz ZWVSZKCMESQPRC-NFBKMPQASA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945378 1417149976 /nfs/dbraw/zinc/14/99/76/1417149976.db2.gz ZWVSZKCMESQPRC-NFBKMPQASA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134945378 1417149981 /nfs/dbraw/zinc/14/99/81/1417149981.db2.gz ZWVSZKCMESQPRC-NFBKMPQASA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134945378 1417149986 /nfs/dbraw/zinc/14/99/86/1417149986.db2.gz ZWVSZKCMESQPRC-NFBKMPQASA-N 2 2 399.579 3.177 20 0 GGADLP CN(C(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000135130002 1417175205 /nfs/dbraw/zinc/17/52/05/1417175205.db2.gz LGLPYFKEKFWQMF-UHFFFAOYSA-N 2 2 380.536 3.073 20 0 GGADLP CN(C(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)c1ccccc1 ZINC000135130002 1417175212 /nfs/dbraw/zinc/17/52/12/1417175212.db2.gz LGLPYFKEKFWQMF-UHFFFAOYSA-N 2 2 380.536 3.073 20 0 GGADLP OC1CC[NH+](Cc2ccccc2CNc2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000135333205 1417209006 /nfs/dbraw/zinc/20/90/06/1417209006.db2.gz SPDLGYUDQYNQHN-UHFFFAOYSA-N 2 2 381.524 3.036 20 0 GGADLP OC1CC[NH+](Cc2ccccc2CNc2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000135333205 1417209010 /nfs/dbraw/zinc/20/90/10/1417209010.db2.gz SPDLGYUDQYNQHN-UHFFFAOYSA-N 2 2 381.524 3.036 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000135625992 1417249631 /nfs/dbraw/zinc/24/96/31/1417249631.db2.gz DGVAXTUQKSNMIQ-GOSISDBHSA-N 2 2 393.531 3.029 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000135625992 1417249635 /nfs/dbraw/zinc/24/96/35/1417249635.db2.gz DGVAXTUQKSNMIQ-GOSISDBHSA-N 2 2 393.531 3.029 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000136375890 1417312480 /nfs/dbraw/zinc/31/24/80/1417312480.db2.gz WKQGYDJPOVFYCV-CTNGQTDRSA-N 2 2 397.567 3.467 20 0 GGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000136573977 1417327759 /nfs/dbraw/zinc/32/77/59/1417327759.db2.gz PVGNNNJVHRIDLT-VXKWHMMOSA-N 2 2 375.532 3.283 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000136577567 1417328450 /nfs/dbraw/zinc/32/84/50/1417328450.db2.gz RWSRXGULORVUHY-QZTJIDSGSA-N 2 2 397.357 3.315 20 0 GGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000136596073 1417330339 /nfs/dbraw/zinc/33/03/39/1417330339.db2.gz VROTVYDOFIPLNX-ZWKOTPCHSA-N 2 2 385.321 3.446 20 0 GGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000136595976 1417330813 /nfs/dbraw/zinc/33/08/13/1417330813.db2.gz VROTVYDOFIPLNX-MSOLQXFVSA-N 2 2 385.321 3.446 20 0 GGADLP CCC(CC)[C@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[NH+]1CCCC1 ZINC000136688351 1417338664 /nfs/dbraw/zinc/33/86/64/1417338664.db2.gz JOCMJPFVMGQCHR-QUCCMNQESA-N 2 2 389.588 3.285 20 0 GGADLP CC(C)[C@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000136810768 1417347368 /nfs/dbraw/zinc/34/73/68/1417347368.db2.gz JOVJGLBZLRENNT-PMACEKPBSA-N 2 2 389.588 3.141 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000136836702 1417349064 /nfs/dbraw/zinc/34/90/64/1417349064.db2.gz XQCGSPYGYHVFMV-FPOVZHCZSA-N 2 2 395.551 3.221 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000136986702 1417360215 /nfs/dbraw/zinc/36/02/15/1417360215.db2.gz LHQNMFBIKNZBNB-NHCUHLMSSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000136986702 1417360225 /nfs/dbraw/zinc/36/02/25/1417360225.db2.gz LHQNMFBIKNZBNB-NHCUHLMSSA-N 2 2 395.551 3.049 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000137114544 1417368560 /nfs/dbraw/zinc/36/85/60/1417368560.db2.gz ZYZBLTYLFFTXPY-IBGZPJMESA-N 2 2 383.540 3.347 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000137114544 1417368562 /nfs/dbraw/zinc/36/85/62/1417368562.db2.gz ZYZBLTYLFFTXPY-IBGZPJMESA-N 2 2 383.540 3.347 20 0 GGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000137213803 1417375302 /nfs/dbraw/zinc/37/53/02/1417375302.db2.gz RBNWGYKSUYKZFI-IBGZPJMESA-N 2 2 383.540 3.489 20 0 GGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000137213803 1417375308 /nfs/dbraw/zinc/37/53/08/1417375308.db2.gz RBNWGYKSUYKZFI-IBGZPJMESA-N 2 2 383.540 3.489 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000137244703 1417377046 /nfs/dbraw/zinc/37/70/46/1417377046.db2.gz TZIDFSRPZODQBN-GUDVDZBRSA-N 2 2 389.588 3.141 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000137244607 1417377200 /nfs/dbraw/zinc/37/72/00/1417377200.db2.gz TZIDFSRPZODQBN-CEXWTWQISA-N 2 2 389.588 3.141 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000137244607 1417377207 /nfs/dbraw/zinc/37/72/07/1417377207.db2.gz TZIDFSRPZODQBN-CEXWTWQISA-N 2 2 389.588 3.141 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000138017513 1417402447 /nfs/dbraw/zinc/40/24/47/1417402447.db2.gz WULPCTWUAQYJHN-FQEVSTJZSA-N 2 2 383.540 3.036 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000138017513 1417402461 /nfs/dbraw/zinc/40/24/61/1417402461.db2.gz WULPCTWUAQYJHN-FQEVSTJZSA-N 2 2 383.540 3.036 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[NH+]2CCCC2)o1 ZINC000138367018 1417412016 /nfs/dbraw/zinc/41/20/16/1417412016.db2.gz DMUJCOCMFZEJBU-RTBURBONSA-N 2 2 399.539 3.123 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[NH+]2CCCC2)o1 ZINC000138367237 1417412101 /nfs/dbraw/zinc/41/21/01/1417412101.db2.gz DMUJCOCMFZEJBU-RBUKOAKNSA-N 2 2 399.539 3.123 20 0 GGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000139649046 1417468709 /nfs/dbraw/zinc/46/87/09/1417468709.db2.gz XLXWEQDISVEUMN-RTBURBONSA-N 2 2 375.561 3.039 20 0 GGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000139649046 1417468731 /nfs/dbraw/zinc/46/87/31/1417468731.db2.gz XLXWEQDISVEUMN-RTBURBONSA-N 2 2 375.561 3.039 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000178839816 1429190211 /nfs/dbraw/zinc/19/02/11/1429190211.db2.gz PCRXDTYJPONQMK-GOSISDBHSA-N 2 2 377.920 3.179 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000144889058 1417675748 /nfs/dbraw/zinc/67/57/48/1417675748.db2.gz MBHAIADTWVLQBP-DNVFCKCGSA-N 2 2 395.547 3.215 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000148904020 1417769339 /nfs/dbraw/zinc/76/93/39/1417769339.db2.gz RRJJWBJRYXLIJF-QGZVFWFLSA-N 2 2 387.553 3.157 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000148904020 1417769347 /nfs/dbraw/zinc/76/93/47/1417769347.db2.gz RRJJWBJRYXLIJF-QGZVFWFLSA-N 2 2 387.553 3.157 20 0 GGADLP CC(C)C1CCC(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000151005822 1417853864 /nfs/dbraw/zinc/85/38/64/1417853864.db2.gz ZNKRJDLKSSTJJE-UHFFFAOYSA-N 2 2 378.605 3.307 20 0 GGADLP CN(c1ccccc1C[NH2+]Cc1cn(-c2ccccc2)nn1)C1CC[NH+](C)CC1 ZINC000151150945 1417882888 /nfs/dbraw/zinc/88/28/88/1417882888.db2.gz TUHSRBCIDCNEPI-UHFFFAOYSA-N 2 2 390.535 3.088 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000151333913 1417928761 /nfs/dbraw/zinc/92/87/61/1417928761.db2.gz ZLQOJKAURCTUOA-OAHLLOKOSA-N 2 2 387.480 3.325 20 0 GGADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151384598 1417944107 /nfs/dbraw/zinc/94/41/07/1417944107.db2.gz KGDLVXJLDRDCCP-ORYQWCPZSA-N 2 2 392.507 3.252 20 0 GGADLP CN(C(=O)NCc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178929558 1429222985 /nfs/dbraw/zinc/22/29/85/1429222985.db2.gz RSTWFFFTTJAWEJ-RTWAWAEBSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178929558 1429222990 /nfs/dbraw/zinc/22/29/90/1429222990.db2.gz RSTWFFFTTJAWEJ-RTWAWAEBSA-N 2 2 390.547 3.304 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)CC1 ZINC000151435366 1417967022 /nfs/dbraw/zinc/96/70/22/1417967022.db2.gz PWHNREKAXVZBQC-DLBZAZTESA-N 2 2 393.934 3.257 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000151559379 1418024314 /nfs/dbraw/zinc/02/43/14/1418024314.db2.gz GMYAIVPXKATPIS-HLAWJBBLSA-N 2 2 381.524 3.313 20 0 GGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)ccc1OCCO ZINC000151702164 1418066348 /nfs/dbraw/zinc/06/63/48/1418066348.db2.gz PAWPZQDYCYEPLJ-LQWHRVPQSA-N 2 2 399.535 3.023 20 0 GGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)ccc1OCCO ZINC000151702164 1418066355 /nfs/dbraw/zinc/06/63/55/1418066355.db2.gz PAWPZQDYCYEPLJ-LQWHRVPQSA-N 2 2 399.535 3.023 20 0 GGADLP CC[NH+](CC)[C@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)Cc1ccccc1 ZINC000151726847 1418072241 /nfs/dbraw/zinc/07/22/41/1418072241.db2.gz POELGJQOHISMJK-QFIPXVFZSA-N 2 2 383.536 3.427 20 0 GGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1C ZINC000151783284 1418086010 /nfs/dbraw/zinc/08/60/10/1418086010.db2.gz BESSHPNEQJAUMM-PGRDOPGGSA-N 2 2 395.547 3.029 20 0 GGADLP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1C ZINC000151783284 1418086014 /nfs/dbraw/zinc/08/60/14/1418086014.db2.gz BESSHPNEQJAUMM-PGRDOPGGSA-N 2 2 395.547 3.029 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000152046478 1418129182 /nfs/dbraw/zinc/12/91/82/1418129182.db2.gz ZQVAMOKJOFAHPH-DENIHFKCSA-N 2 2 395.551 3.449 20 0 GGADLP C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000152104504 1418146388 /nfs/dbraw/zinc/14/63/88/1418146388.db2.gz KSROILFIFNIGLF-WIYYLYMNSA-N 2 2 381.524 3.272 20 0 GGADLP C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000152104417 1418146436 /nfs/dbraw/zinc/14/64/36/1418146436.db2.gz KSROILFIFNIGLF-RXVVDRJESA-N 2 2 381.524 3.272 20 0 GGADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152160511 1418161379 /nfs/dbraw/zinc/16/13/79/1418161379.db2.gz OUJFPJOFRIKCIB-HLAWJBBLSA-N 2 2 381.524 3.285 20 0 GGADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152160511 1418161381 /nfs/dbraw/zinc/16/13/81/1418161381.db2.gz OUJFPJOFRIKCIB-HLAWJBBLSA-N 2 2 381.524 3.285 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000152248873 1418184283 /nfs/dbraw/zinc/18/42/83/1418184283.db2.gz FNWKMKQVUDBSQL-CVDCTZTESA-N 2 2 376.504 3.251 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000152259006 1418186630 /nfs/dbraw/zinc/18/66/30/1418186630.db2.gz SHGVDXDMOGKRNI-YRPNKDGESA-N 2 2 375.561 3.234 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000152259006 1418186638 /nfs/dbraw/zinc/18/66/38/1418186638.db2.gz SHGVDXDMOGKRNI-YRPNKDGESA-N 2 2 375.561 3.234 20 0 GGADLP COc1ccc(-c2nc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000179128972 1429271123 /nfs/dbraw/zinc/27/11/23/1429271123.db2.gz UGBXVIVNRQYSPW-UHFFFAOYSA-N 2 2 388.581 3.277 20 0 GGADLP COc1ccc(-c2nc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cs2)cc1 ZINC000179128972 1429271133 /nfs/dbraw/zinc/27/11/33/1429271133.db2.gz UGBXVIVNRQYSPW-UHFFFAOYSA-N 2 2 388.581 3.277 20 0 GGADLP COCc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000179205241 1429294265 /nfs/dbraw/zinc/29/42/65/1429294265.db2.gz PNOSDWHFPHPLJV-HSZRJFAPSA-N 2 2 394.563 3.262 20 0 GGADLP COCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000179205241 1429294270 /nfs/dbraw/zinc/29/42/70/1429294270.db2.gz PNOSDWHFPHPLJV-HSZRJFAPSA-N 2 2 394.563 3.262 20 0 GGADLP C[N@H+](Cc1cnn(Cc2ccccc2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179437267 1429375829 /nfs/dbraw/zinc/37/58/29/1429375829.db2.gz RXJZBMSYYPCTOT-UHFFFAOYSA-N 2 2 389.547 3.465 20 0 GGADLP C[N@@H+](Cc1cnn(Cc2ccccc2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000179437267 1429375833 /nfs/dbraw/zinc/37/58/33/1429375833.db2.gz RXJZBMSYYPCTOT-UHFFFAOYSA-N 2 2 389.547 3.465 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Oc2ccccc2)ccc1O ZINC000179568081 1429438943 /nfs/dbraw/zinc/43/89/43/1429438943.db2.gz NHXFLSZDADEAQL-UHFFFAOYSA-N 2 2 397.519 3.283 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Oc2ccccc2)ccc1O ZINC000179568081 1429438948 /nfs/dbraw/zinc/43/89/48/1429438948.db2.gz NHXFLSZDADEAQL-UHFFFAOYSA-N 2 2 397.519 3.283 20 0 GGADLP C[C@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000179668648 1429499390 /nfs/dbraw/zinc/49/93/90/1429499390.db2.gz YXDNCLFEQZYJHR-QGZVFWFLSA-N 2 2 384.549 3.262 20 0 GGADLP C[C@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000179668648 1429499395 /nfs/dbraw/zinc/49/93/95/1429499395.db2.gz YXDNCLFEQZYJHR-QGZVFWFLSA-N 2 2 384.549 3.262 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000179678289 1429503654 /nfs/dbraw/zinc/50/36/54/1429503654.db2.gz XBUCXAUELVMEQB-INIZCTEOSA-N 2 2 397.510 3.362 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000179678289 1429503660 /nfs/dbraw/zinc/50/36/60/1429503660.db2.gz XBUCXAUELVMEQB-INIZCTEOSA-N 2 2 397.510 3.362 20 0 GGADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000179678402 1429503753 /nfs/dbraw/zinc/50/37/53/1429503753.db2.gz KNYFVAWYDXLXPC-NHCUHLMSSA-N 2 2 387.572 3.499 20 0 GGADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000179678402 1429503757 /nfs/dbraw/zinc/50/37/57/1429503757.db2.gz KNYFVAWYDXLXPC-NHCUHLMSSA-N 2 2 387.572 3.499 20 0 GGADLP C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CCOCC1)c1ccccc1 ZINC000152365203 1422084070 /nfs/dbraw/zinc/08/40/70/1422084070.db2.gz JLJVRRIBVHBOMW-LJQANCHMSA-N 2 2 391.519 3.257 20 0 GGADLP C[C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000152392779 1422090982 /nfs/dbraw/zinc/09/09/82/1422090982.db2.gz XLLMREOIVCBLJS-RXVVDRJESA-N 2 2 395.551 3.313 20 0 GGADLP C[C@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000152392779 1422090990 /nfs/dbraw/zinc/09/09/90/1422090990.db2.gz XLLMREOIVCBLJS-RXVVDRJESA-N 2 2 395.551 3.313 20 0 GGADLP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000152552447 1422140248 /nfs/dbraw/zinc/14/02/48/1422140248.db2.gz RUNHMXXMPZFJTO-UWJYYQICSA-N 2 2 399.514 3.279 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@H]3c3ccco3)CC2)CC1 ZINC000152622209 1422172423 /nfs/dbraw/zinc/17/24/23/1422172423.db2.gz GXGGGEPWWRSOKO-FQEVSTJZSA-N 2 2 388.556 3.465 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@@H]3c3ccco3)CC2)CC1 ZINC000152622095 1422173381 /nfs/dbraw/zinc/17/33/81/1422173381.db2.gz GXGGGEPWWRSOKO-HXUWFJFHSA-N 2 2 388.556 3.465 20 0 GGADLP CCOc1ccccc1[C@@H](CC)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179748386 1429535897 /nfs/dbraw/zinc/53/58/97/1429535897.db2.gz HJMQGHLKRDWODN-AZUAARDMSA-N 2 2 396.535 3.258 20 0 GGADLP CCOc1ccccc1[C@@H](CC)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179748420 1429536253 /nfs/dbraw/zinc/53/62/53/1429536253.db2.gz HJMQGHLKRDWODN-UYAOXDASSA-N 2 2 396.535 3.258 20 0 GGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)o1 ZINC000152654304 1422189916 /nfs/dbraw/zinc/18/99/16/1422189916.db2.gz HGKHYIJXCCWFJL-QGZVFWFLSA-N 2 2 398.503 3.324 20 0 GGADLP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC(C)(C)[NH+]3CCCCC3)CC2)cc1 ZINC000152668125 1422201001 /nfs/dbraw/zinc/20/10/01/1422201001.db2.gz JYVLIGWIMWITJH-UHFFFAOYSA-N 2 2 393.597 3.002 20 0 GGADLP O=C(c1ccccc1Cl)N1CCC([NH2+]CCc2cn3c([nH+]2)CCCC3)CC1 ZINC000152734350 1422229702 /nfs/dbraw/zinc/22/97/02/1422229702.db2.gz PIVJJEMMJLTUGO-UHFFFAOYSA-N 2 2 386.927 3.310 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000152879170 1422281035 /nfs/dbraw/zinc/28/10/35/1422281035.db2.gz JLCJZEKDBOCKAI-NQIIRXRSSA-N 2 2 391.519 3.147 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000152879170 1422281052 /nfs/dbraw/zinc/28/10/52/1422281052.db2.gz JLCJZEKDBOCKAI-NQIIRXRSSA-N 2 2 391.519 3.147 20 0 GGADLP CC[C@H](CSc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000152886865 1422284006 /nfs/dbraw/zinc/28/40/06/1422284006.db2.gz ZOZFPCXKNQQUCD-GOSISDBHSA-N 2 2 392.613 3.225 20 0 GGADLP CC[C@H](CSc1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000152886865 1422284011 /nfs/dbraw/zinc/28/40/11/1422284011.db2.gz ZOZFPCXKNQQUCD-GOSISDBHSA-N 2 2 392.613 3.225 20 0 GGADLP Cc1cccc(OC[C@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000152913373 1422293407 /nfs/dbraw/zinc/29/34/07/1422293407.db2.gz RJFIWBXYVYVZAS-JOCHJYFZSA-N 2 2 383.536 3.059 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccccc3)CC(F)F)CC2)CC1 ZINC000152951119 1422305883 /nfs/dbraw/zinc/30/58/83/1422305883.db2.gz DOSVMZWIGCDCAI-UHFFFAOYSA-N 2 2 394.510 3.022 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153008524 1422324882 /nfs/dbraw/zinc/32/48/82/1422324882.db2.gz AACLVEZKHAYHGR-PZJWPPBQSA-N 2 2 399.583 3.346 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153008524 1422324893 /nfs/dbraw/zinc/32/48/93/1422324893.db2.gz AACLVEZKHAYHGR-PZJWPPBQSA-N 2 2 399.583 3.346 20 0 GGADLP CCC[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000153198910 1422389940 /nfs/dbraw/zinc/38/99/40/1422389940.db2.gz JILLZJKJIUARQG-NHCUHLMSSA-N 2 2 381.524 3.285 20 0 GGADLP C[C@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000153224209 1422399964 /nfs/dbraw/zinc/39/99/64/1422399964.db2.gz ZKCSPBWJCANWFL-GHTZIAJQSA-N 2 2 399.539 3.006 20 0 GGADLP C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000153231815 1422406572 /nfs/dbraw/zinc/40/65/72/1422406572.db2.gz OABMKDXXIIBLBH-ILWGZMRPSA-N 2 2 395.551 3.040 20 0 GGADLP C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000153231815 1422406589 /nfs/dbraw/zinc/40/65/89/1422406589.db2.gz OABMKDXXIIBLBH-ILWGZMRPSA-N 2 2 395.551 3.040 20 0 GGADLP CCc1onc(C)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179773524 1429553282 /nfs/dbraw/zinc/55/32/82/1429553282.db2.gz KJHAGNVXONAGSS-ROUUACIJSA-N 2 2 391.560 3.346 20 0 GGADLP CCc1onc(C)c1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179773524 1429553288 /nfs/dbraw/zinc/55/32/88/1429553288.db2.gz KJHAGNVXONAGSS-ROUUACIJSA-N 2 2 391.560 3.346 20 0 GGADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)CC2)cc1 ZINC000153610689 1422646311 /nfs/dbraw/zinc/64/63/11/1422646311.db2.gz GUBDHJAYEPYVCB-HSZRJFAPSA-N 2 2 399.579 3.098 20 0 GGADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C3CCOCC3)CC2)cc1 ZINC000153610689 1422646314 /nfs/dbraw/zinc/64/63/14/1422646314.db2.gz GUBDHJAYEPYVCB-HSZRJFAPSA-N 2 2 399.579 3.098 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000153671087 1422696055 /nfs/dbraw/zinc/69/60/55/1422696055.db2.gz UBMRBNPROAVONL-HZPDHXFCSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000153671087 1422696061 /nfs/dbraw/zinc/69/60/61/1422696061.db2.gz UBMRBNPROAVONL-HZPDHXFCSA-N 2 2 375.513 3.027 20 0 GGADLP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000153797073 1422763213 /nfs/dbraw/zinc/76/32/13/1422763213.db2.gz LDDZCIJZQXNFMZ-NHCUHLMSSA-N 2 2 380.492 3.081 20 0 GGADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000153810824 1422771886 /nfs/dbraw/zinc/77/18/86/1422771886.db2.gz PSKRVCFEZQNVRY-IZZBFERCSA-N 2 2 381.524 3.284 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccsc1 ZINC000153934318 1422813458 /nfs/dbraw/zinc/81/34/58/1422813458.db2.gz JZPMCAIOTLJYMN-OALUTQOASA-N 2 2 388.537 3.389 20 0 GGADLP CCN(C(=O)[C@@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000154005649 1422824343 /nfs/dbraw/zinc/82/43/43/1422824343.db2.gz FPINHOAJUILGOA-QHAWAJNXSA-N 2 2 392.632 3.047 20 0 GGADLP CCN(C(=O)[C@@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000154005649 1422824344 /nfs/dbraw/zinc/82/43/44/1422824344.db2.gz FPINHOAJUILGOA-QHAWAJNXSA-N 2 2 392.632 3.047 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000154242383 1422860865 /nfs/dbraw/zinc/86/08/65/1422860865.db2.gz POWDEXLQQLLEJA-APMMZXSISA-N 2 2 379.508 3.036 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000154242383 1422860866 /nfs/dbraw/zinc/86/08/66/1422860866.db2.gz POWDEXLQQLLEJA-APMMZXSISA-N 2 2 379.508 3.036 20 0 GGADLP Cc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)c(OCC[NH+](C)C)c1 ZINC000154621870 1422968251 /nfs/dbraw/zinc/96/82/51/1422968251.db2.gz DGRKZSRKKKPBSZ-UHFFFAOYSA-N 2 2 393.491 3.443 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154736930 1423016159 /nfs/dbraw/zinc/01/61/59/1423016159.db2.gz ZJBKYDYVEYPEMR-UNMCSNQZSA-N 2 2 388.552 3.073 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154736930 1423016165 /nfs/dbraw/zinc/01/61/65/1423016165.db2.gz ZJBKYDYVEYPEMR-UNMCSNQZSA-N 2 2 388.552 3.073 20 0 GGADLP O=C(c1ccccc1)N1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000154926301 1423082475 /nfs/dbraw/zinc/08/24/75/1423082475.db2.gz VUOAOWFCDOYWAL-UHFFFAOYSA-N 2 2 393.531 3.119 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000155000056 1423105919 /nfs/dbraw/zinc/10/59/19/1423105919.db2.gz GLAGSJALGVLPJH-QAPCUYQASA-N 2 2 394.441 3.418 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000155000056 1423105936 /nfs/dbraw/zinc/10/59/36/1423105936.db2.gz GLAGSJALGVLPJH-QAPCUYQASA-N 2 2 394.441 3.418 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000155150272 1423197744 /nfs/dbraw/zinc/19/77/44/1423197744.db2.gz IJLVIOKACMQFGF-SFHVURJKSA-N 2 2 397.519 3.207 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)C[C@H](C)O1 ZINC000155160952 1423203636 /nfs/dbraw/zinc/20/36/36/1423203636.db2.gz HEEGKWKEHDIWIM-CALCHBBNSA-N 2 2 376.545 3.439 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)C[C@H](C)O1 ZINC000155160952 1423203651 /nfs/dbraw/zinc/20/36/51/1423203651.db2.gz HEEGKWKEHDIWIM-CALCHBBNSA-N 2 2 376.545 3.439 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc12 ZINC000155301505 1423308222 /nfs/dbraw/zinc/30/82/22/1423308222.db2.gz ZZYDXXYCNWJNEF-DYESRHJHSA-N 2 2 383.536 3.442 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc12 ZINC000155301505 1423308226 /nfs/dbraw/zinc/30/82/26/1423308226.db2.gz ZZYDXXYCNWJNEF-DYESRHJHSA-N 2 2 383.536 3.442 20 0 GGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155322765 1423316926 /nfs/dbraw/zinc/31/69/26/1423316926.db2.gz BZIQEFZTMQURNV-SOLBZPMBSA-N 2 2 388.581 3.321 20 0 GGADLP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155322765 1423316937 /nfs/dbraw/zinc/31/69/37/1423316937.db2.gz BZIQEFZTMQURNV-SOLBZPMBSA-N 2 2 388.581 3.321 20 0 GGADLP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)ccc2c1 ZINC000155357777 1423331129 /nfs/dbraw/zinc/33/11/29/1423331129.db2.gz OSBGMMNMYXJSMY-VGOFRKELSA-N 2 2 383.536 3.442 20 0 GGADLP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)ccc2c1 ZINC000155357777 1423331141 /nfs/dbraw/zinc/33/11/41/1423331141.db2.gz OSBGMMNMYXJSMY-VGOFRKELSA-N 2 2 383.536 3.442 20 0 GGADLP COc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000155499308 1423388607 /nfs/dbraw/zinc/38/86/07/1423388607.db2.gz YRGLXTBJFMCGJK-UHFFFAOYSA-N 2 2 384.520 3.163 20 0 GGADLP COc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1OCc1ccccc1 ZINC000155499308 1423388621 /nfs/dbraw/zinc/38/86/21/1423388621.db2.gz YRGLXTBJFMCGJK-UHFFFAOYSA-N 2 2 384.520 3.163 20 0 GGADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155615689 1423447592 /nfs/dbraw/zinc/44/75/92/1423447592.db2.gz XOQQRJBZHSNZAB-CLCXKQKWSA-N 2 2 390.890 3.047 20 0 GGADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000155615689 1423447602 /nfs/dbraw/zinc/44/76/02/1423447602.db2.gz XOQQRJBZHSNZAB-CLCXKQKWSA-N 2 2 390.890 3.047 20 0 GGADLP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1O ZINC000155674877 1423481275 /nfs/dbraw/zinc/48/12/75/1423481275.db2.gz LAHWUHSBBLJSTC-GOSISDBHSA-N 2 2 398.389 3.469 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC([NH+]3CC=CC3)CC2)C[C@H](C)O1 ZINC000155729927 1423507520 /nfs/dbraw/zinc/50/75/20/1423507520.db2.gz FKIHWVYMWXVNSD-OALUTQOASA-N 2 2 398.551 3.164 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000155855101 1423563218 /nfs/dbraw/zinc/56/32/18/1423563218.db2.gz KSFCXRSHOXFANM-UHFFFAOYSA-N 2 2 393.531 3.409 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1c2ccccc2Oc2ccccc21 ZINC000155855101 1423563228 /nfs/dbraw/zinc/56/32/28/1423563228.db2.gz KSFCXRSHOXFANM-UHFFFAOYSA-N 2 2 393.531 3.409 20 0 GGADLP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000155857234 1423564820 /nfs/dbraw/zinc/56/48/20/1423564820.db2.gz XARVBXNVAYNYBN-UHFFFAOYSA-N 2 2 387.572 3.335 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000155952446 1423607279 /nfs/dbraw/zinc/60/72/79/1423607279.db2.gz RQVQYZONOZCHLF-LJQANCHMSA-N 2 2 397.523 3.302 20 0 GGADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000155977390 1423617351 /nfs/dbraw/zinc/61/73/51/1423617351.db2.gz GTEYFNLVTNGOLR-HXUWFJFHSA-N 2 2 388.515 3.491 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)C1 ZINC000156131097 1423686223 /nfs/dbraw/zinc/68/62/23/1423686223.db2.gz JXVNEUAEOYGKKX-LVCYWYKZSA-N 2 2 380.536 3.240 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)C1 ZINC000156131097 1423686239 /nfs/dbraw/zinc/68/62/39/1423686239.db2.gz JXVNEUAEOYGKKX-LVCYWYKZSA-N 2 2 380.536 3.240 20 0 GGADLP Cc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000179963297 1429665227 /nfs/dbraw/zinc/66/52/27/1429665227.db2.gz TYQKEQSARVJEEC-OAQYLSRUSA-N 2 2 383.517 3.364 20 0 GGADLP Cc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000179963279 1429665256 /nfs/dbraw/zinc/66/52/56/1429665256.db2.gz TYQKEQSARVJEEC-NRFANRHFSA-N 2 2 383.517 3.364 20 0 GGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@@H+]1C ZINC000179972980 1429669285 /nfs/dbraw/zinc/66/92/85/1429669285.db2.gz CAZRHVTXVSSGGS-ZTFGCOKTSA-N 2 2 383.458 3.269 20 0 GGADLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@H+]1C ZINC000179972980 1429669296 /nfs/dbraw/zinc/66/92/96/1429669296.db2.gz CAZRHVTXVSSGGS-ZTFGCOKTSA-N 2 2 383.458 3.269 20 0 GGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3csc(N(C)C4CC4)n3)CC2)C[C@H](C)O1 ZINC000156615973 1423836428 /nfs/dbraw/zinc/83/64/28/1423836428.db2.gz CZXGRCCVJZSIIV-IYBDPMFKSA-N 2 2 378.586 3.063 20 0 GGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3csc(N(C)C4CC4)n3)CC2)C[C@H](C)O1 ZINC000156615973 1423836430 /nfs/dbraw/zinc/83/64/30/1423836430.db2.gz CZXGRCCVJZSIIV-IYBDPMFKSA-N 2 2 378.586 3.063 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC000156657773 1423842561 /nfs/dbraw/zinc/84/25/61/1423842561.db2.gz UQALXXGKZWUTCF-OIBXWCBGSA-N 2 2 392.547 3.073 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC000156657773 1423842565 /nfs/dbraw/zinc/84/25/65/1423842565.db2.gz UQALXXGKZWUTCF-OIBXWCBGSA-N 2 2 392.547 3.073 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000156657773 1423842566 /nfs/dbraw/zinc/84/25/66/1423842566.db2.gz UQALXXGKZWUTCF-OIBXWCBGSA-N 2 2 392.547 3.073 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000156657773 1423842571 /nfs/dbraw/zinc/84/25/71/1423842571.db2.gz UQALXXGKZWUTCF-OIBXWCBGSA-N 2 2 392.547 3.073 20 0 GGADLP COc1cc(C[NH+](C)[C@@H](C)CC[N@@H+](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000156942023 1423890431 /nfs/dbraw/zinc/89/04/31/1423890431.db2.gz WNDUDGYTVMPUJW-INIZCTEOSA-N 2 2 388.508 3.457 20 0 GGADLP COc1cc(C[NH+](C)[C@@H](C)CC[N@H+](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000156942023 1423890432 /nfs/dbraw/zinc/89/04/32/1423890432.db2.gz WNDUDGYTVMPUJW-INIZCTEOSA-N 2 2 388.508 3.457 20 0 GGADLP COc1cc(C[NH+](C)CC[C@H](C)[N@H+](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000156942023 1423890434 /nfs/dbraw/zinc/89/04/34/1423890434.db2.gz WNDUDGYTVMPUJW-INIZCTEOSA-N 2 2 388.508 3.457 20 0 GGADLP COc1cc(C[NH+](C)CC[C@H](C)[N@@H+](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000156942023 1423890436 /nfs/dbraw/zinc/89/04/36/1423890436.db2.gz WNDUDGYTVMPUJW-INIZCTEOSA-N 2 2 388.508 3.457 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000157030293 1423907183 /nfs/dbraw/zinc/90/71/83/1423907183.db2.gz QXSKJZCJYOKIIS-APWZRJJASA-N 2 2 382.533 3.241 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@H+]1Cc1ccccc1 ZINC000157030293 1423907189 /nfs/dbraw/zinc/90/71/89/1423907189.db2.gz QXSKJZCJYOKIIS-APWZRJJASA-N 2 2 382.533 3.241 20 0 GGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1Cc1ccccc1 ZINC000157030293 1423907190 /nfs/dbraw/zinc/90/71/90/1423907190.db2.gz QXSKJZCJYOKIIS-APWZRJJASA-N 2 2 382.533 3.241 20 0 GGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1Cc1ccccc1 ZINC000157030293 1423907195 /nfs/dbraw/zinc/90/71/95/1423907195.db2.gz QXSKJZCJYOKIIS-APWZRJJASA-N 2 2 382.533 3.241 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000157068097 1423915917 /nfs/dbraw/zinc/91/59/17/1423915917.db2.gz ZYKKUEUYROBXJD-RYQLBKOJSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000157068097 1423915925 /nfs/dbraw/zinc/91/59/25/1423915925.db2.gz ZYKKUEUYROBXJD-RYQLBKOJSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@H]1C[C@@H]([N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000157068097 1423915932 /nfs/dbraw/zinc/91/59/32/1423915932.db2.gz ZYKKUEUYROBXJD-RYQLBKOJSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@H]1C[C@@H]([N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000157068097 1423915938 /nfs/dbraw/zinc/91/59/38/1423915938.db2.gz ZYKKUEUYROBXJD-RYQLBKOJSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000157078205 1423919993 /nfs/dbraw/zinc/91/99/93/1423919993.db2.gz RACHIGKUQXZCAA-UNMCSNQZSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000157078205 1423919995 /nfs/dbraw/zinc/91/99/95/1423919995.db2.gz RACHIGKUQXZCAA-UNMCSNQZSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000157078205 1423919998 /nfs/dbraw/zinc/91/99/98/1423919998.db2.gz RACHIGKUQXZCAA-UNMCSNQZSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000157078205 1423920002 /nfs/dbraw/zinc/92/00/02/1423920002.db2.gz RACHIGKUQXZCAA-UNMCSNQZSA-N 2 2 391.559 3.414 20 0 GGADLP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1 ZINC000157145450 1423936227 /nfs/dbraw/zinc/93/62/27/1423936227.db2.gz HSGVALYDVDNMED-UWJYYQICSA-N 2 2 399.535 3.150 20 0 GGADLP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1 ZINC000157145450 1423936234 /nfs/dbraw/zinc/93/62/34/1423936234.db2.gz HSGVALYDVDNMED-UWJYYQICSA-N 2 2 399.535 3.150 20 0 GGADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000157183429 1423947683 /nfs/dbraw/zinc/94/76/83/1423947683.db2.gz HQFCENRWVIQRDV-SFHVURJKSA-N 2 2 394.585 3.107 20 0 GGADLP CC1CCC2(CC1)OC[C@@H](C[NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)O2 ZINC000180005210 1429686059 /nfs/dbraw/zinc/68/60/59/1429686059.db2.gz YHOOPCXEDMTQDJ-PDGCRQIGSA-N 2 2 383.536 3.434 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000157276632 1423972516 /nfs/dbraw/zinc/97/25/16/1423972516.db2.gz VTFKHWADDBQMRX-XMSQKQJNSA-N 2 2 394.519 3.470 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157291587 1423975836 /nfs/dbraw/zinc/97/58/36/1423975836.db2.gz YUDHCMFHWKPOFC-QUCCMNQESA-N 2 2 382.552 3.165 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157291587 1423975845 /nfs/dbraw/zinc/97/58/45/1423975845.db2.gz YUDHCMFHWKPOFC-QUCCMNQESA-N 2 2 382.552 3.165 20 0 GGADLP COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000157417217 1424006998 /nfs/dbraw/zinc/00/69/98/1424006998.db2.gz PVUXHGGLXBFVFM-FQEVSTJZSA-N 2 2 385.552 3.137 20 0 GGADLP COc1ccc(CN(C(=O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000157417217 1424007004 /nfs/dbraw/zinc/00/70/04/1424007004.db2.gz PVUXHGGLXBFVFM-FQEVSTJZSA-N 2 2 385.552 3.137 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000157611959 1424049164 /nfs/dbraw/zinc/04/91/64/1424049164.db2.gz ZJVXHBYMBBYBSR-QMMLZNLJSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000157611959 1424049168 /nfs/dbraw/zinc/04/91/68/1424049168.db2.gz ZJVXHBYMBBYBSR-QMMLZNLJSA-N 2 2 387.572 3.121 20 0 GGADLP Cc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000157779817 1424086267 /nfs/dbraw/zinc/08/62/67/1424086267.db2.gz YNVAHXZYBHNHHW-FCHUYYIVSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157779817 1424086276 /nfs/dbraw/zinc/08/62/76/1424086276.db2.gz YNVAHXZYBHNHHW-FCHUYYIVSA-N 2 2 386.584 3.474 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157791416 1424089170 /nfs/dbraw/zinc/08/91/70/1424089170.db2.gz NKVZRPULKBEHJJ-BBRMVZONSA-N 2 2 385.430 3.376 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157791416 1424089176 /nfs/dbraw/zinc/08/91/76/1424089176.db2.gz NKVZRPULKBEHJJ-BBRMVZONSA-N 2 2 385.430 3.376 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000157812360 1424093611 /nfs/dbraw/zinc/09/36/11/1424093611.db2.gz AVYQIWYXGYKOCC-ROUUACIJSA-N 2 2 399.539 3.355 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000157847443 1424103404 /nfs/dbraw/zinc/10/34/04/1424103404.db2.gz YGGZMOWERAQQRK-QMMLZNLJSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000157847443 1424103406 /nfs/dbraw/zinc/10/34/06/1424103406.db2.gz YGGZMOWERAQQRK-QMMLZNLJSA-N 2 2 387.572 3.121 20 0 GGADLP CCC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157963285 1424130155 /nfs/dbraw/zinc/13/01/55/1424130155.db2.gz LWVJVFXROCZVRO-HDICACEKSA-N 2 2 388.556 3.292 20 0 GGADLP CCC[NH+]1CCC(NC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157963285 1424130161 /nfs/dbraw/zinc/13/01/61/1424130161.db2.gz LWVJVFXROCZVRO-HDICACEKSA-N 2 2 388.556 3.292 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000158451796 1424259089 /nfs/dbraw/zinc/25/90/89/1424259089.db2.gz YPWLDZZHFUANNX-IBGZPJMESA-N 2 2 386.927 3.490 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC[C@@H]21 ZINC000158470695 1424266247 /nfs/dbraw/zinc/26/62/47/1424266247.db2.gz ZQVOIDCRLRQYON-NQIIRXRSSA-N 2 2 387.543 3.170 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC[C@@H]21 ZINC000158470695 1424266254 /nfs/dbraw/zinc/26/62/54/1424266254.db2.gz ZQVOIDCRLRQYON-NQIIRXRSSA-N 2 2 387.543 3.170 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC[C@@H]21 ZINC000158470695 1424266261 /nfs/dbraw/zinc/26/62/61/1424266261.db2.gz ZQVOIDCRLRQYON-NQIIRXRSSA-N 2 2 387.543 3.170 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC[C@@H]21 ZINC000158470695 1424266274 /nfs/dbraw/zinc/26/62/74/1424266274.db2.gz ZQVOIDCRLRQYON-NQIIRXRSSA-N 2 2 387.543 3.170 20 0 GGADLP C[C@H](CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@H+](C)Cc1ccccc1 ZINC000158478358 1424268327 /nfs/dbraw/zinc/26/83/27/1424268327.db2.gz MFZUZNGEXGRXNW-WIYYLYMNSA-N 2 2 382.508 3.155 20 0 GGADLP C[C@H](CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000158478358 1424268332 /nfs/dbraw/zinc/26/83/32/1424268332.db2.gz MFZUZNGEXGRXNW-WIYYLYMNSA-N 2 2 382.508 3.155 20 0 GGADLP Cc1cccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158619643 1424303128 /nfs/dbraw/zinc/30/31/28/1424303128.db2.gz RBZVHNRSEZGUBP-YADHBBJMSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1cccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158619643 1424303131 /nfs/dbraw/zinc/30/31/31/1424303131.db2.gz RBZVHNRSEZGUBP-YADHBBJMSA-N 2 2 386.584 3.474 20 0 GGADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158854723 1424357857 /nfs/dbraw/zinc/35/78/57/1424357857.db2.gz VWBDTAHYUZUROA-WOIUINJBSA-N 2 2 384.568 3.420 20 0 GGADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158854723 1424357861 /nfs/dbraw/zinc/35/78/61/1424357861.db2.gz VWBDTAHYUZUROA-WOIUINJBSA-N 2 2 384.568 3.420 20 0 GGADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158854723 1424357864 /nfs/dbraw/zinc/35/78/64/1424357864.db2.gz VWBDTAHYUZUROA-WOIUINJBSA-N 2 2 384.568 3.420 20 0 GGADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158854723 1424357867 /nfs/dbraw/zinc/35/78/67/1424357867.db2.gz VWBDTAHYUZUROA-WOIUINJBSA-N 2 2 384.568 3.420 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000158859518 1424358680 /nfs/dbraw/zinc/35/86/80/1424358680.db2.gz SOOVVZQSDYSEDI-QGZVFWFLSA-N 2 2 397.585 3.006 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000158859518 1424358683 /nfs/dbraw/zinc/35/86/83/1424358683.db2.gz SOOVVZQSDYSEDI-QGZVFWFLSA-N 2 2 397.585 3.006 20 0 GGADLP C[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000159221148 1424448358 /nfs/dbraw/zinc/44/83/58/1424448358.db2.gz IXHBUJRASKVIQS-SFHVURJKSA-N 2 2 385.512 3.204 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[NH+](C2CCCC2)CC1 ZINC000159238296 1424454565 /nfs/dbraw/zinc/45/45/65/1424454565.db2.gz OFVSMNDTDIGGMM-UHFFFAOYSA-N 2 2 383.496 3.054 20 0 GGADLP CC(=O)Nc1cccc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)c1 ZINC000180082212 1429728616 /nfs/dbraw/zinc/72/86/16/1429728616.db2.gz PCFYMJIYKFFPDW-UHFFFAOYSA-N 2 2 386.927 3.340 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161328815 1424677979 /nfs/dbraw/zinc/67/79/79/1424677979.db2.gz ZMEAFASQRBQYPU-IBGZPJMESA-N 2 2 393.535 3.221 20 0 GGADLP CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000161928752 1424798992 /nfs/dbraw/zinc/79/89/92/1424798992.db2.gz UYCLDTBOWAQYFB-UHFFFAOYSA-N 2 2 397.538 3.471 20 0 GGADLP Cc1c2cc(C)ccc2[nH]c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000162346570 1424839986 /nfs/dbraw/zinc/83/99/86/1424839986.db2.gz FALZBWJSYZJJIC-UHFFFAOYSA-N 2 2 382.552 3.465 20 0 GGADLP Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c(N(C)C)[nH+]1 ZINC000162427880 1424850579 /nfs/dbraw/zinc/85/05/79/1424850579.db2.gz ZIWVNHSCJJQTTG-UHFFFAOYSA-N 2 2 385.487 3.381 20 0 GGADLP O=C([C@H]1CCn2c[nH+]cc2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000162432900 1424850903 /nfs/dbraw/zinc/85/09/03/1424850903.db2.gz MOOSIHVPSVXDIC-SFHVURJKSA-N 2 2 398.510 3.360 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162475846 1424856705 /nfs/dbraw/zinc/85/67/05/1424856705.db2.gz VFMMVRLFCLWJCC-UGKGYDQZSA-N 2 2 379.552 3.467 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162475846 1424856706 /nfs/dbraw/zinc/85/67/06/1424856706.db2.gz VFMMVRLFCLWJCC-UGKGYDQZSA-N 2 2 379.552 3.467 20 0 GGADLP Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000162484683 1424858094 /nfs/dbraw/zinc/85/80/94/1424858094.db2.gz TWHZSWOAIQNITP-IBGZPJMESA-N 2 2 381.524 3.142 20 0 GGADLP Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000162484683 1424858095 /nfs/dbraw/zinc/85/80/95/1424858095.db2.gz TWHZSWOAIQNITP-IBGZPJMESA-N 2 2 381.524 3.142 20 0 GGADLP CN(C(=O)NCc1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162582674 1424868844 /nfs/dbraw/zinc/86/88/44/1424868844.db2.gz ZDRQDXGGJFHPSJ-MOPGFXCFSA-N 2 2 378.586 3.227 20 0 GGADLP CN(C(=O)NCc1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162582674 1424868846 /nfs/dbraw/zinc/86/88/46/1424868846.db2.gz ZDRQDXGGJFHPSJ-MOPGFXCFSA-N 2 2 378.586 3.227 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(OC)c1 ZINC000162839672 1424895595 /nfs/dbraw/zinc/89/55/95/1424895595.db2.gz QAFSQCRHKGENCT-INIZCTEOSA-N 2 2 386.496 3.298 20 0 GGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cccc(-n2cnnn2)c1 ZINC000163028724 1424925760 /nfs/dbraw/zinc/92/57/60/1424925760.db2.gz NQZVDWDWIOWPPN-QGZVFWFLSA-N 2 2 386.569 3.065 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000163054856 1424932420 /nfs/dbraw/zinc/93/24/20/1424932420.db2.gz JNBCMCYRMVRQSF-HXUWFJFHSA-N 2 2 381.524 3.002 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000163106808 1424941164 /nfs/dbraw/zinc/94/11/64/1424941164.db2.gz OORVGJBBMKUDLT-PMACEKPBSA-N 2 2 381.524 3.043 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000163106587 1424941540 /nfs/dbraw/zinc/94/15/40/1424941540.db2.gz OORVGJBBMKUDLT-UXHICEINSA-N 2 2 381.524 3.043 20 0 GGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2(N3CCOCC3)CCCCC2)CC1 ZINC000180157073 1429768098 /nfs/dbraw/zinc/76/80/98/1429768098.db2.gz JLNNJUVLWCRXEQ-UHFFFAOYSA-N 2 2 377.495 3.028 20 0 GGADLP Cc1csc(N2CCC([NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)CC2)n1 ZINC000163697967 1425035124 /nfs/dbraw/zinc/03/51/24/1425035124.db2.gz NTIIHJDHWILGLI-UHFFFAOYSA-N 2 2 386.565 3.042 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000163747899 1425040765 /nfs/dbraw/zinc/04/07/65/1425040765.db2.gz FFEBEAGJOXGYSN-LJQANCHMSA-N 2 2 393.531 3.496 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000163787811 1425044652 /nfs/dbraw/zinc/04/46/52/1425044652.db2.gz WBLWBKDPSRFDSR-KRWDZBQOSA-N 2 2 386.565 3.398 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000163860619 1425051643 /nfs/dbraw/zinc/05/16/43/1425051643.db2.gz RAWYCEMKNIFWES-FQEVSTJZSA-N 2 2 381.524 3.002 20 0 GGADLP Cc1ncc([C@@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000163930468 1425058600 /nfs/dbraw/zinc/05/86/00/1425058600.db2.gz VGQKPEKUOGVJMV-LJQANCHMSA-N 2 2 381.568 3.342 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000164548615 1425123065 /nfs/dbraw/zinc/12/30/65/1425123065.db2.gz UGOMOJXMTFZANG-SFHVURJKSA-N 2 2 388.556 3.320 20 0 GGADLP [NH3+]Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)o1 ZINC000165147403 1425167195 /nfs/dbraw/zinc/16/71/95/1425167195.db2.gz UWHPJHGAVFBDDZ-GOSISDBHSA-N 2 2 381.501 3.329 20 0 GGADLP [NH3+]Cc1ccc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)o1 ZINC000165147403 1425167207 /nfs/dbraw/zinc/16/72/07/1425167207.db2.gz UWHPJHGAVFBDDZ-GOSISDBHSA-N 2 2 381.501 3.329 20 0 GGADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000165220786 1425171430 /nfs/dbraw/zinc/17/14/30/1425171430.db2.gz QPSNETFHNPLEIM-HNNXBMFYSA-N 2 2 389.952 3.322 20 0 GGADLP CC1(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000165313183 1425175220 /nfs/dbraw/zinc/17/52/20/1425175220.db2.gz PEQLBMXKMURTAU-FQEVSTJZSA-N 2 2 378.520 3.079 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000165579508 1425186500 /nfs/dbraw/zinc/18/65/00/1425186500.db2.gz HRFHGQVQMILADD-MAUKXSAKSA-N 3 2 384.490 3.030 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000165579508 1425186514 /nfs/dbraw/zinc/18/65/14/1425186514.db2.gz HRFHGQVQMILADD-MAUKXSAKSA-N 3 2 384.490 3.030 20 0 GGADLP C[C@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000165597338 1425187634 /nfs/dbraw/zinc/18/76/34/1425187634.db2.gz SHEVDVRMPAJPNZ-MAUKXSAKSA-N 2 2 396.501 3.172 20 0 GGADLP C[C@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000165597338 1425187643 /nfs/dbraw/zinc/18/76/43/1425187643.db2.gz SHEVDVRMPAJPNZ-MAUKXSAKSA-N 2 2 396.501 3.172 20 0 GGADLP CCC[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167078453 1425221766 /nfs/dbraw/zinc/22/17/66/1425221766.db2.gz GLUKDAZBHHNPIS-YSIASYRMSA-N 2 2 387.634 3.021 20 0 GGADLP CCC[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167078453 1425221772 /nfs/dbraw/zinc/22/17/72/1425221772.db2.gz GLUKDAZBHHNPIS-YSIASYRMSA-N 2 2 387.634 3.021 20 0 GGADLP Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000167069107 1425222003 /nfs/dbraw/zinc/22/20/03/1425222003.db2.gz GIROJLWAXXYFCM-ZWKOTPCHSA-N 2 2 399.626 3.014 20 0 GGADLP Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000167069107 1425222012 /nfs/dbraw/zinc/22/20/12/1425222012.db2.gz GIROJLWAXXYFCM-ZWKOTPCHSA-N 2 2 399.626 3.014 20 0 GGADLP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000167907386 1425233661 /nfs/dbraw/zinc/23/36/61/1425233661.db2.gz CQAJMUXEZYPCEZ-HXUWFJFHSA-N 2 2 377.960 3.474 20 0 GGADLP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000167907386 1425233673 /nfs/dbraw/zinc/23/36/73/1425233673.db2.gz CQAJMUXEZYPCEZ-HXUWFJFHSA-N 2 2 377.960 3.474 20 0 GGADLP C[NH+](C)C1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCOCC1 ZINC000168354946 1425237332 /nfs/dbraw/zinc/23/73/32/1425237332.db2.gz BKRGBCBHDSNTFM-UHFFFAOYSA-N 2 2 383.939 3.144 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000168598072 1425237772 /nfs/dbraw/zinc/23/77/72/1425237772.db2.gz BEIIVJRSDJGYJT-ICSRJNTNSA-N 2 2 389.902 3.130 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000168598072 1425237789 /nfs/dbraw/zinc/23/77/89/1425237789.db2.gz BEIIVJRSDJGYJT-ICSRJNTNSA-N 2 2 389.902 3.130 20 0 GGADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000168949867 1425241204 /nfs/dbraw/zinc/24/12/04/1425241204.db2.gz GAVXOSDHSVOHKH-ROUUACIJSA-N 2 2 377.410 3.096 20 0 GGADLP [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000168949867 1425241209 /nfs/dbraw/zinc/24/12/09/1425241209.db2.gz GAVXOSDHSVOHKH-ROUUACIJSA-N 2 2 377.410 3.096 20 0 GGADLP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000168949788 1425241718 /nfs/dbraw/zinc/24/17/18/1425241718.db2.gz GAVXOSDHSVOHKH-QZTJIDSGSA-N 2 2 377.410 3.096 20 0 GGADLP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000168949788 1425241719 /nfs/dbraw/zinc/24/17/19/1425241719.db2.gz GAVXOSDHSVOHKH-QZTJIDSGSA-N 2 2 377.410 3.096 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000169246528 1425244245 /nfs/dbraw/zinc/24/42/45/1425244245.db2.gz ZYXBLYGHKVLMDV-PGRDOPGGSA-N 2 2 380.536 3.483 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000169246603 1425244420 /nfs/dbraw/zinc/24/44/20/1425244420.db2.gz ZYXBLYGHKVLMDV-XMSQKQJNSA-N 2 2 380.536 3.483 20 0 GGADLP Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000170643118 1425272379 /nfs/dbraw/zinc/27/23/79/1425272379.db2.gz ROEVREWTEIBBCR-OAQYLSRUSA-N 2 2 398.576 3.350 20 0 GGADLP Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000170643118 1425272386 /nfs/dbraw/zinc/27/23/86/1425272386.db2.gz ROEVREWTEIBBCR-OAQYLSRUSA-N 2 2 398.576 3.350 20 0 GGADLP C/C(=C\C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1Cl ZINC000170758808 1425330052 /nfs/dbraw/zinc/33/00/52/1425330052.db2.gz GCYKYDVSJXOPSC-FOCLMDBBSA-N 2 2 375.944 3.418 20 0 GGADLP Cc1ccccc1-c1nc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000170758837 1425330096 /nfs/dbraw/zinc/33/00/96/1425330096.db2.gz NVLONQABMAODLW-UHFFFAOYSA-N 2 2 398.576 3.407 20 0 GGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000170780182 1425340500 /nfs/dbraw/zinc/34/05/00/1425340500.db2.gz WYHVSCGKCHXZED-IAGOWNOFSA-N 2 2 393.959 3.408 20 0 GGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCCC[NH+]2CCOCC2)c1 ZINC000170788635 1425343383 /nfs/dbraw/zinc/34/33/83/1425343383.db2.gz ZOBZHCSKXCSDLV-UHFFFAOYSA-N 2 2 384.524 3.496 20 0 GGADLP CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170814235 1425352043 /nfs/dbraw/zinc/35/20/43/1425352043.db2.gz RHFYQRKYZCZYPF-RXVVDRJESA-N 2 2 378.605 3.449 20 0 GGADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCOCC2(C)C)c1 ZINC000170861958 1425372805 /nfs/dbraw/zinc/37/28/05/1425372805.db2.gz ZECMUUMAWRSSQE-UHFFFAOYSA-N 2 2 395.547 3.159 20 0 GGADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCOCC2(C)C)c1 ZINC000170861958 1425372814 /nfs/dbraw/zinc/37/28/14/1425372814.db2.gz ZECMUUMAWRSSQE-UHFFFAOYSA-N 2 2 395.547 3.159 20 0 GGADLP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@@H+]2CCOCC2(C)C)c1 ZINC000170861958 1425372825 /nfs/dbraw/zinc/37/28/25/1425372825.db2.gz ZECMUUMAWRSSQE-UHFFFAOYSA-N 2 2 395.547 3.159 20 0 GGADLP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@H+]2CCOCC2(C)C)c1 ZINC000170861958 1425372832 /nfs/dbraw/zinc/37/28/32/1425372832.db2.gz ZECMUUMAWRSSQE-UHFFFAOYSA-N 2 2 395.547 3.159 20 0 GGADLP C[C@@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000170919582 1425393784 /nfs/dbraw/zinc/39/37/84/1425393784.db2.gz KKIYLVFMICHREC-XMSQKQJNSA-N 2 2 378.520 3.250 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[NH+]2CCCC2)o1 ZINC000171239599 1425560334 /nfs/dbraw/zinc/56/03/34/1425560334.db2.gz SIYRVJIBJAYCLQ-HXUWFJFHSA-N 2 2 393.491 3.410 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000171305644 1425605472 /nfs/dbraw/zinc/60/54/72/1425605472.db2.gz GMXFMMSFNHWRNP-FGTMMUONSA-N 2 2 391.531 3.282 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000171305644 1425605476 /nfs/dbraw/zinc/60/54/76/1425605476.db2.gz GMXFMMSFNHWRNP-FGTMMUONSA-N 2 2 391.531 3.282 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3ccccc3Cl)CC2)CC1 ZINC000171536276 1425721633 /nfs/dbraw/zinc/72/16/33/1425721633.db2.gz VYPUTDYSVKGACO-UHFFFAOYSA-N 2 2 377.960 3.292 20 0 GGADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000171672030 1425784656 /nfs/dbraw/zinc/78/46/56/1425784656.db2.gz MBYXBHDYRJTUSQ-SFHVURJKSA-N 2 2 383.540 3.134 20 0 GGADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000171672030 1425784668 /nfs/dbraw/zinc/78/46/68/1425784668.db2.gz MBYXBHDYRJTUSQ-SFHVURJKSA-N 2 2 383.540 3.134 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000171681407 1425787630 /nfs/dbraw/zinc/78/76/30/1425787630.db2.gz FXZWLVDLBZGAHJ-OAQYLSRUSA-N 2 2 381.524 3.091 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3OC(F)F)CC2)CC1 ZINC000171753691 1425811996 /nfs/dbraw/zinc/81/19/96/1425811996.db2.gz LAMPBXHCQPCREG-UHFFFAOYSA-N 2 2 395.494 3.054 20 0 GGADLP CCCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1OCC ZINC000171917536 1425852040 /nfs/dbraw/zinc/85/20/40/1425852040.db2.gz YNIGYDSYWSKZJB-UHFFFAOYSA-N 2 2 375.557 3.088 20 0 GGADLP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000171925557 1425854511 /nfs/dbraw/zinc/85/45/11/1425854511.db2.gz UUAAZKGXXXMCBH-UHFFFAOYSA-N 2 2 395.595 3.070 20 0 GGADLP Cc1ccc(NCCCNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[nH+]c1 ZINC000172400180 1426026446 /nfs/dbraw/zinc/02/64/46/1426026446.db2.gz WFMILQRLJKLJAL-KDURUIRLSA-N 2 2 396.535 3.231 20 0 GGADLP Cc1ccc(NCCCNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)[nH+]c1 ZINC000172400180 1426026453 /nfs/dbraw/zinc/02/64/53/1426026453.db2.gz WFMILQRLJKLJAL-KDURUIRLSA-N 2 2 396.535 3.231 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)CCn2cnc3ccccc3c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000172574696 1426093852 /nfs/dbraw/zinc/09/38/52/1426093852.db2.gz UEWCYKXUWKBGEP-TZIWHRDSSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)CCn2cnc3ccccc3c2=O)CC[N@H+]1Cc1ccccc1 ZINC000172574696 1426093858 /nfs/dbraw/zinc/09/38/58/1426093858.db2.gz UEWCYKXUWKBGEP-TZIWHRDSSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@@H]1C[C@H]([N@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1Cc1ccccc1 ZINC000172574696 1426093862 /nfs/dbraw/zinc/09/38/62/1426093862.db2.gz UEWCYKXUWKBGEP-TZIWHRDSSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@@H]1C[C@H]([N@@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1Cc1ccccc1 ZINC000172574696 1426093872 /nfs/dbraw/zinc/09/38/72/1426093872.db2.gz UEWCYKXUWKBGEP-TZIWHRDSSA-N 2 2 390.531 3.381 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173112345 1426348439 /nfs/dbraw/zinc/34/84/39/1426348439.db2.gz AGYPXZKFZVYNPC-IBGZPJMESA-N 2 2 397.523 3.348 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173112345 1426348445 /nfs/dbraw/zinc/34/84/45/1426348445.db2.gz AGYPXZKFZVYNPC-IBGZPJMESA-N 2 2 397.523 3.348 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)cn2c1 ZINC000173270129 1426447918 /nfs/dbraw/zinc/44/79/18/1426447918.db2.gz MNDSZHMXWRIDSR-GOSISDBHSA-N 2 2 386.565 3.257 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CC[N@@H+](CC4CCCC4)C3)cn2c1 ZINC000173270129 1426447933 /nfs/dbraw/zinc/44/79/33/1426447933.db2.gz MNDSZHMXWRIDSR-GOSISDBHSA-N 2 2 386.565 3.257 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)CC1 ZINC000173348613 1426526305 /nfs/dbraw/zinc/52/63/05/1426526305.db2.gz IEZNEJUFHDJFCL-UHFFFAOYSA-N 2 2 384.499 3.109 20 0 GGADLP CSc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000173366598 1426539530 /nfs/dbraw/zinc/53/95/30/1426539530.db2.gz DMHCONFYSNNRBF-QGZVFWFLSA-N 2 2 384.549 3.193 20 0 GGADLP COc1cc(NC(=O)CC[NH+]2CCC(n3cc[nH+]c3)CC2)c(OC)cc1Cl ZINC000173370555 1426543024 /nfs/dbraw/zinc/54/30/24/1426543024.db2.gz GMOWXSTUGJEAIP-UHFFFAOYSA-N 2 2 392.887 3.219 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000173416738 1426599263 /nfs/dbraw/zinc/59/92/63/1426599263.db2.gz SKYCAVBOZVIFRK-JXMROGBWSA-N 2 2 381.524 3.012 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000173428670 1426609946 /nfs/dbraw/zinc/60/99/46/1426609946.db2.gz PKLGHASFLPKZJT-UHFFFAOYSA-N 2 2 387.503 3.028 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000173428670 1426609954 /nfs/dbraw/zinc/60/99/54/1426609954.db2.gz PKLGHASFLPKZJT-UHFFFAOYSA-N 2 2 387.503 3.028 20 0 GGADLP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173613831 1426791483 /nfs/dbraw/zinc/79/14/83/1426791483.db2.gz NJVBIPXWCIBSGS-INIZCTEOSA-N 2 2 375.513 3.041 20 0 GGADLP Cc1sc(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1C ZINC000173623375 1426801437 /nfs/dbraw/zinc/80/14/37/1426801437.db2.gz JWQVSDFYAUOJIR-GASCZTMLSA-N 2 2 393.597 3.433 20 0 GGADLP Cc1sc(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1C ZINC000173623375 1426801439 /nfs/dbraw/zinc/80/14/39/1426801439.db2.gz JWQVSDFYAUOJIR-GASCZTMLSA-N 2 2 393.597 3.433 20 0 GGADLP COc1ccc2sc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c(C)c2c1 ZINC000173717847 1426830507 /nfs/dbraw/zinc/83/05/07/1426830507.db2.gz PRLLYSZAPURSBL-UHFFFAOYSA-N 2 2 389.565 3.316 20 0 GGADLP COc1ccc2sc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c(C)c2c1 ZINC000173717847 1426830509 /nfs/dbraw/zinc/83/05/09/1426830509.db2.gz PRLLYSZAPURSBL-UHFFFAOYSA-N 2 2 389.565 3.316 20 0 GGADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173769068 1426845290 /nfs/dbraw/zinc/84/52/90/1426845290.db2.gz TXWYJYDVAYNZCF-MAUKXSAKSA-N 2 2 383.458 3.040 20 0 GGADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173769068 1426845292 /nfs/dbraw/zinc/84/52/92/1426845292.db2.gz TXWYJYDVAYNZCF-MAUKXSAKSA-N 2 2 383.458 3.040 20 0 GGADLP O=C1[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173786338 1426850996 /nfs/dbraw/zinc/85/09/96/1426850996.db2.gz NPLJJBZAFWEAKG-APWZRJJASA-N 2 2 393.478 3.201 20 0 GGADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173786338 1426850997 /nfs/dbraw/zinc/85/09/97/1426850997.db2.gz NPLJJBZAFWEAKG-APWZRJJASA-N 2 2 393.478 3.201 20 0 GGADLP CC(C)[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000173863403 1426874432 /nfs/dbraw/zinc/87/44/32/1426874432.db2.gz CMUSAMOZQDIEIS-LJQANCHMSA-N 2 2 393.622 3.247 20 0 GGADLP CC(C)[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000173863403 1426874434 /nfs/dbraw/zinc/87/44/34/1426874434.db2.gz CMUSAMOZQDIEIS-LJQANCHMSA-N 2 2 393.622 3.247 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000173911996 1426889470 /nfs/dbraw/zinc/88/94/70/1426889470.db2.gz UBCMOLGDDUQGOF-ICSRJNTNSA-N 2 2 397.563 3.469 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000173911996 1426889473 /nfs/dbraw/zinc/88/94/73/1426889473.db2.gz UBCMOLGDDUQGOF-ICSRJNTNSA-N 2 2 397.563 3.469 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000173911996 1426889477 /nfs/dbraw/zinc/88/94/77/1426889477.db2.gz UBCMOLGDDUQGOF-ICSRJNTNSA-N 2 2 397.563 3.469 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000173911996 1426889478 /nfs/dbraw/zinc/88/94/78/1426889478.db2.gz UBCMOLGDDUQGOF-ICSRJNTNSA-N 2 2 397.563 3.469 20 0 GGADLP O=C1[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCN1c1ccccc1Cl ZINC000173949854 1426905568 /nfs/dbraw/zinc/90/55/68/1426905568.db2.gz OQCQQWITDLHZLA-FQEVSTJZSA-N 2 2 391.943 3.022 20 0 GGADLP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173960898 1426911285 /nfs/dbraw/zinc/91/12/85/1426911285.db2.gz ZWQHPSBRJTZOFZ-GOSISDBHSA-N 2 2 384.524 3.298 20 0 GGADLP CC[N@@H+](CC(=O)Nc1ccccc1C(C)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971678 1426916416 /nfs/dbraw/zinc/91/64/16/1426916416.db2.gz ZUBRMSGSMAUJEW-UHFFFAOYSA-N 2 2 394.519 3.461 20 0 GGADLP CC[N@H+](CC(=O)Nc1ccccc1C(C)=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971678 1426916420 /nfs/dbraw/zinc/91/64/20/1426916420.db2.gz ZUBRMSGSMAUJEW-UHFFFAOYSA-N 2 2 394.519 3.461 20 0 GGADLP CC[N@@H+](CC(=O)NCc1sccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972007 1426916521 /nfs/dbraw/zinc/91/65/21/1426916521.db2.gz UDDDRDLPDFBIFH-UHFFFAOYSA-N 2 2 386.565 3.306 20 0 GGADLP CC[N@H+](CC(=O)NCc1sccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972007 1426916524 /nfs/dbraw/zinc/91/65/24/1426916524.db2.gz UDDDRDLPDFBIFH-UHFFFAOYSA-N 2 2 386.565 3.306 20 0 GGADLP COc1cccc(CNC(=O)[C@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000173977533 1426921513 /nfs/dbraw/zinc/92/15/13/1426921513.db2.gz UOINFBCMCXFHHF-UGKGYDQZSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000173977533 1426921520 /nfs/dbraw/zinc/92/15/20/1426921520.db2.gz UOINFBCMCXFHHF-UGKGYDQZSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000173977533 1426921528 /nfs/dbraw/zinc/92/15/28/1426921528.db2.gz UOINFBCMCXFHHF-UGKGYDQZSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000173977533 1426921535 /nfs/dbraw/zinc/92/15/35/1426921535.db2.gz UOINFBCMCXFHHF-UGKGYDQZSA-N 2 2 395.547 3.154 20 0 GGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173998867 1426934591 /nfs/dbraw/zinc/93/45/91/1426934591.db2.gz AHQQWDAOOWSFFK-UHFFFAOYSA-N 2 2 397.519 3.493 20 0 GGADLP O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000174007088 1426939695 /nfs/dbraw/zinc/93/96/95/1426939695.db2.gz GDFDXGUVMFMTEJ-UHFFFAOYSA-N 2 2 375.476 3.023 20 0 GGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174044250 1426966808 /nfs/dbraw/zinc/96/68/08/1426966808.db2.gz KFGMNUCLQYGNJU-NQIIRXRSSA-N 2 2 396.510 3.343 20 0 GGADLP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174044250 1426966816 /nfs/dbraw/zinc/96/68/16/1426966816.db2.gz KFGMNUCLQYGNJU-NQIIRXRSSA-N 2 2 396.510 3.343 20 0 GGADLP CN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174169406 1427030677 /nfs/dbraw/zinc/03/06/77/1427030677.db2.gz UZQSWJVAEIZBPW-FQEVSTJZSA-N 2 2 381.524 3.190 20 0 GGADLP CN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174169406 1427030681 /nfs/dbraw/zinc/03/06/81/1427030681.db2.gz UZQSWJVAEIZBPW-FQEVSTJZSA-N 2 2 381.524 3.190 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000174180708 1427036064 /nfs/dbraw/zinc/03/60/64/1427036064.db2.gz HIBPLQAFMWOFHW-UHFFFAOYSA-N 2 2 397.485 3.304 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000174180708 1427036070 /nfs/dbraw/zinc/03/60/70/1427036070.db2.gz HIBPLQAFMWOFHW-UHFFFAOYSA-N 2 2 397.485 3.304 20 0 GGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000174296271 1427090106 /nfs/dbraw/zinc/09/01/06/1427090106.db2.gz ODCIVXLPSNNKRV-KRWDZBQOSA-N 2 2 385.430 3.153 20 0 GGADLP CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000174341125 1427110779 /nfs/dbraw/zinc/11/07/79/1427110779.db2.gz AXNKCHVLYJSTGG-WOJBJXKFSA-N 2 2 391.581 3.063 20 0 GGADLP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000174341125 1427110782 /nfs/dbraw/zinc/11/07/82/1427110782.db2.gz AXNKCHVLYJSTGG-WOJBJXKFSA-N 2 2 391.581 3.063 20 0 GGADLP CC[N@@H+](CC(=O)N(C)Cc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394466 1427136144 /nfs/dbraw/zinc/13/61/44/1427136144.db2.gz VCSDFHJMCFMCEJ-UHFFFAOYSA-N 2 2 398.526 3.418 20 0 GGADLP CC[N@H+](CC(=O)N(C)Cc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394466 1427136149 /nfs/dbraw/zinc/13/61/49/1427136149.db2.gz VCSDFHJMCFMCEJ-UHFFFAOYSA-N 2 2 398.526 3.418 20 0 GGADLP CN(Cc1ccccc1F)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403387 1427142431 /nfs/dbraw/zinc/14/24/31/1427142431.db2.gz DKFDXJSOAGJREO-FQEVSTJZSA-N 2 2 383.511 3.238 20 0 GGADLP CN(Cc1ccccc1F)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403387 1427142450 /nfs/dbraw/zinc/14/24/50/1427142450.db2.gz DKFDXJSOAGJREO-FQEVSTJZSA-N 2 2 383.511 3.238 20 0 GGADLP CN(Cc1ccccc1F)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403387 1427142458 /nfs/dbraw/zinc/14/24/58/1427142458.db2.gz DKFDXJSOAGJREO-FQEVSTJZSA-N 2 2 383.511 3.238 20 0 GGADLP CN(Cc1ccccc1F)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403387 1427142465 /nfs/dbraw/zinc/14/24/65/1427142465.db2.gz DKFDXJSOAGJREO-FQEVSTJZSA-N 2 2 383.511 3.238 20 0 GGADLP C[N@@H+](CC(=O)N1CCc2ccccc2C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405220 1427142877 /nfs/dbraw/zinc/14/28/77/1427142877.db2.gz QNHFLLCEEBDAFZ-NRFANRHFSA-N 2 2 377.532 3.025 20 0 GGADLP C[N@H+](CC(=O)N1CCc2ccccc2C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405220 1427142882 /nfs/dbraw/zinc/14/28/82/1427142882.db2.gz QNHFLLCEEBDAFZ-NRFANRHFSA-N 2 2 377.532 3.025 20 0 GGADLP C[NH+](CC(=O)N1CCc2ccccc2C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174405220 1427142893 /nfs/dbraw/zinc/14/28/93/1427142893.db2.gz QNHFLLCEEBDAFZ-NRFANRHFSA-N 2 2 377.532 3.025 20 0 GGADLP C[NH+](CC(=O)N1CCc2ccccc2C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174405220 1427142902 /nfs/dbraw/zinc/14/29/02/1427142902.db2.gz QNHFLLCEEBDAFZ-NRFANRHFSA-N 2 2 377.532 3.025 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000174409662 1427145214 /nfs/dbraw/zinc/14/52/14/1427145214.db2.gz XSCMTLNPLLKQAX-LJQANCHMSA-N 2 2 382.932 3.098 20 0 GGADLP C[NH+](C)Cc1ccc(CNCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000174650699 1427287988 /nfs/dbraw/zinc/28/79/88/1427287988.db2.gz YIFLXAUCDGJIIR-UHFFFAOYSA-N 2 2 386.971 3.443 20 0 GGADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000174715778 1427327075 /nfs/dbraw/zinc/32/70/75/1427327075.db2.gz WOTLECHSDAPVSR-JOCHJYFZSA-N 2 2 398.526 3.075 20 0 GGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000174715778 1427327081 /nfs/dbraw/zinc/32/70/81/1427327081.db2.gz WOTLECHSDAPVSR-JOCHJYFZSA-N 2 2 398.526 3.075 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174723146 1427332443 /nfs/dbraw/zinc/33/24/43/1427332443.db2.gz VKAUYBCUQZGUNQ-HSZRJFAPSA-N 2 2 394.563 3.244 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174723146 1427332452 /nfs/dbraw/zinc/33/24/52/1427332452.db2.gz VKAUYBCUQZGUNQ-HSZRJFAPSA-N 2 2 394.563 3.244 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000174879687 1427424109 /nfs/dbraw/zinc/42/41/09/1427424109.db2.gz HCURVRWNOXNOEF-UHFFFAOYSA-N 2 2 385.512 3.195 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000174879687 1427424118 /nfs/dbraw/zinc/42/41/18/1427424118.db2.gz HCURVRWNOXNOEF-UHFFFAOYSA-N 2 2 385.512 3.195 20 0 GGADLP Cc1c2ccccc2oc1CNC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000174976345 1427475023 /nfs/dbraw/zinc/47/50/23/1427475023.db2.gz WKHAPFJWDLTOJK-UHFFFAOYSA-N 2 2 398.551 3.491 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000175210944 1427603021 /nfs/dbraw/zinc/60/30/21/1427603021.db2.gz YNQMUVWDMQBMIQ-ROUUACIJSA-N 2 2 399.539 3.403 20 0 GGADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000175212612 1427604557 /nfs/dbraw/zinc/60/45/57/1427604557.db2.gz AXWDNDBBCYFFGM-WSTZPKSXSA-N 2 2 388.556 3.244 20 0 GGADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000175212612 1427604562 /nfs/dbraw/zinc/60/45/62/1427604562.db2.gz AXWDNDBBCYFFGM-WSTZPKSXSA-N 2 2 388.556 3.244 20 0 GGADLP C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000175409865 1427739319 /nfs/dbraw/zinc/73/93/19/1427739319.db2.gz HKKNECGSWKWVFX-AVRDEDQJSA-N 2 2 384.568 3.133 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000175455243 1427764186 /nfs/dbraw/zinc/76/41/86/1427764186.db2.gz ZNSFXTJOSQYRGW-UHFFFAOYSA-N 2 2 383.540 3.430 20 0 GGADLP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175552782 1427812646 /nfs/dbraw/zinc/81/26/46/1427812646.db2.gz WGOVZSAQDNFRBO-FQEVSTJZSA-N 2 2 387.572 3.061 20 0 GGADLP CCC[N@H+]1CC[C@@H](CNC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175552782 1427812648 /nfs/dbraw/zinc/81/26/48/1427812648.db2.gz WGOVZSAQDNFRBO-FQEVSTJZSA-N 2 2 387.572 3.061 20 0 GGADLP C[N@H+](CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)Cc1ccc(F)cc1 ZINC000175594828 1427826161 /nfs/dbraw/zinc/82/61/61/1427826161.db2.gz VCDWABMVJPYAND-UHFFFAOYSA-N 2 2 395.482 3.002 20 0 GGADLP C[N@@H+](CCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)Cc1ccc(F)cc1 ZINC000175594828 1427826163 /nfs/dbraw/zinc/82/61/63/1427826163.db2.gz VCDWABMVJPYAND-UHFFFAOYSA-N 2 2 395.482 3.002 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175628939 1427837338 /nfs/dbraw/zinc/83/73/38/1427837338.db2.gz DPNPVSOBEJLXGI-UYAOXDASSA-N 2 2 381.524 3.283 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175628939 1427837339 /nfs/dbraw/zinc/83/73/39/1427837339.db2.gz DPNPVSOBEJLXGI-UYAOXDASSA-N 2 2 381.524 3.283 20 0 GGADLP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000175783898 1427891369 /nfs/dbraw/zinc/89/13/69/1427891369.db2.gz QENYWCPNLOQZLL-QHCPKHFHSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1cc(C)cc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000175783898 1427891373 /nfs/dbraw/zinc/89/13/73/1427891373.db2.gz QENYWCPNLOQZLL-QHCPKHFHSA-N 2 2 397.563 3.077 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175898274 1427958367 /nfs/dbraw/zinc/95/83/67/1427958367.db2.gz VWEUDWJERYUEIT-SFHVURJKSA-N 2 2 385.487 3.075 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000175898274 1427958371 /nfs/dbraw/zinc/95/83/71/1427958371.db2.gz VWEUDWJERYUEIT-SFHVURJKSA-N 2 2 385.487 3.075 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000175900429 1427959868 /nfs/dbraw/zinc/95/98/68/1427959868.db2.gz ZSAGQLDIUMCHIY-UHFFFAOYSA-N 2 2 390.487 3.329 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c2C1 ZINC000175959640 1427999204 /nfs/dbraw/zinc/99/92/04/1427999204.db2.gz ZXJJNJRBPCJVNP-MRXNPFEDSA-N 2 2 382.552 3.319 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c2C1 ZINC000175959640 1427999209 /nfs/dbraw/zinc/99/92/09/1427999209.db2.gz ZXJJNJRBPCJVNP-MRXNPFEDSA-N 2 2 382.552 3.319 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000176148140 1428118818 /nfs/dbraw/zinc/11/88/18/1428118818.db2.gz ARXKITNRPSJZHZ-AWEZNQCLSA-N 2 2 384.927 3.208 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000176148140 1428118821 /nfs/dbraw/zinc/11/88/21/1428118821.db2.gz ARXKITNRPSJZHZ-AWEZNQCLSA-N 2 2 384.927 3.208 20 0 GGADLP CC(C)[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000180173997 1429781222 /nfs/dbraw/zinc/78/12/22/1429781222.db2.gz JDJFJLVLFZRFQB-NZQKXSOJSA-N 2 2 395.551 3.269 20 0 GGADLP O=C1C[C@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CN1Cc1ccccc1 ZINC000180181118 1429786224 /nfs/dbraw/zinc/78/62/24/1429786224.db2.gz OYASCTGAVBLQHG-QGZVFWFLSA-N 2 2 383.458 3.042 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000180483552 1429879942 /nfs/dbraw/zinc/87/99/42/1429879942.db2.gz RWPUTBGQPIYBMI-UWJYYQICSA-N 2 2 396.572 3.139 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000180503935 1429884358 /nfs/dbraw/zinc/88/43/58/1429884358.db2.gz CZXYFUBFMHPIIP-KRWDZBQOSA-N 2 2 396.572 3.139 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000180503935 1429884359 /nfs/dbraw/zinc/88/43/59/1429884359.db2.gz CZXYFUBFMHPIIP-KRWDZBQOSA-N 2 2 396.572 3.139 20 0 GGADLP CCOc1cccc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000180664973 1429963725 /nfs/dbraw/zinc/96/37/25/1429963725.db2.gz PZRYXXUZDLWNON-KRWDZBQOSA-N 2 2 387.549 3.142 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)[C@H](C)C1 ZINC000180725019 1430002055 /nfs/dbraw/zinc/00/20/55/1430002055.db2.gz OGIJAMJHJOAYFX-NZSAHSFTSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)[C@H](C)C1 ZINC000180725019 1430002066 /nfs/dbraw/zinc/00/20/66/1430002066.db2.gz OGIJAMJHJOAYFX-NZSAHSFTSA-N 2 2 393.959 3.172 20 0 GGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000180731073 1430004977 /nfs/dbraw/zinc/00/49/77/1430004977.db2.gz KNUNDOCINJKVCB-UYAOXDASSA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000180731073 1430004989 /nfs/dbraw/zinc/00/49/89/1430004989.db2.gz KNUNDOCINJKVCB-UYAOXDASSA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000180731073 1430004997 /nfs/dbraw/zinc/00/49/97/1430004997.db2.gz KNUNDOCINJKVCB-UYAOXDASSA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000180731073 1430005005 /nfs/dbraw/zinc/00/50/05/1430005005.db2.gz KNUNDOCINJKVCB-UYAOXDASSA-N 2 2 396.535 3.165 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000180754060 1430020520 /nfs/dbraw/zinc/02/05/20/1430020520.db2.gz WWPHCPGXEMQVHU-CVDCTZTESA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000180754060 1430020527 /nfs/dbraw/zinc/02/05/27/1430020527.db2.gz WWPHCPGXEMQVHU-CVDCTZTESA-N 2 2 392.547 3.204 20 0 GGADLP CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccs1 ZINC000180779880 1430034617 /nfs/dbraw/zinc/03/46/17/1430034617.db2.gz IMQIEURLNXISDV-IRXDYDNUSA-N 2 2 387.553 3.084 20 0 GGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000180782743 1430036506 /nfs/dbraw/zinc/03/65/06/1430036506.db2.gz MLZQWNMQTQMKDU-DLBZAZTESA-N 2 2 387.553 3.003 20 0 GGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000180782727 1430036535 /nfs/dbraw/zinc/03/65/35/1430036535.db2.gz MLZQWNMQTQMKDU-IAGOWNOFSA-N 2 2 387.553 3.003 20 0 GGADLP O=C(COc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1CC1 ZINC000180784617 1430037250 /nfs/dbraw/zinc/03/72/50/1430037250.db2.gz KEDLOGKCHVPUOL-DENIHFKCSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1CC1 ZINC000180784617 1430037261 /nfs/dbraw/zinc/03/72/61/1430037261.db2.gz KEDLOGKCHVPUOL-DENIHFKCSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCC1CC1 ZINC000180784617 1430037272 /nfs/dbraw/zinc/03/72/72/1430037272.db2.gz KEDLOGKCHVPUOL-DENIHFKCSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCC1CC1 ZINC000180784617 1430037282 /nfs/dbraw/zinc/03/72/82/1430037282.db2.gz KEDLOGKCHVPUOL-DENIHFKCSA-N 2 2 397.563 3.040 20 0 GGADLP CCc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000180783490 1430037300 /nfs/dbraw/zinc/03/73/00/1430037300.db2.gz DMUUBDZOSMTGEV-WIYYLYMNSA-N 2 2 395.551 3.195 20 0 GGADLP CCc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000180783544 1430037847 /nfs/dbraw/zinc/03/78/47/1430037847.db2.gz DMUUBDZOSMTGEV-RXVVDRJESA-N 2 2 395.551 3.195 20 0 GGADLP CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(C)cc1 ZINC000180783608 1430037887 /nfs/dbraw/zinc/03/78/87/1430037887.db2.gz QRGFIEIPLJSUDM-SFTDATJTSA-N 2 2 395.551 3.331 20 0 GGADLP O=C(COc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCC1 ZINC000180785366 1430038158 /nfs/dbraw/zinc/03/81/58/1430038158.db2.gz TUYVMWLAWLTZBF-DENIHFKCSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCC1 ZINC000180785366 1430038168 /nfs/dbraw/zinc/03/81/68/1430038168.db2.gz TUYVMWLAWLTZBF-DENIHFKCSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCC1 ZINC000180785366 1430038174 /nfs/dbraw/zinc/03/81/74/1430038174.db2.gz TUYVMWLAWLTZBF-DENIHFKCSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCC1 ZINC000180785366 1430038185 /nfs/dbraw/zinc/03/81/85/1430038185.db2.gz TUYVMWLAWLTZBF-DENIHFKCSA-N 2 2 397.563 3.137 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889423 1430092152 /nfs/dbraw/zinc/09/21/52/1430092152.db2.gz NYEPWFWULQKIGH-QGZVFWFLSA-N 2 2 399.501 3.322 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889423 1430092159 /nfs/dbraw/zinc/09/21/59/1430092159.db2.gz NYEPWFWULQKIGH-QGZVFWFLSA-N 2 2 399.501 3.322 20 0 GGADLP C[C@H](CN1CCOCC1)[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889423 1430092168 /nfs/dbraw/zinc/09/21/68/1430092168.db2.gz NYEPWFWULQKIGH-QGZVFWFLSA-N 2 2 399.501 3.322 20 0 GGADLP C[C@H](CN1CCOCC1)[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889423 1430092175 /nfs/dbraw/zinc/09/21/75/1430092175.db2.gz NYEPWFWULQKIGH-QGZVFWFLSA-N 2 2 399.501 3.322 20 0 GGADLP COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000180916857 1430112136 /nfs/dbraw/zinc/11/21/36/1430112136.db2.gz LQYXVMAHYIRYMU-VGOFRKELSA-N 2 2 390.487 3.333 20 0 GGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180937167 1430124373 /nfs/dbraw/zinc/12/43/73/1430124373.db2.gz JHJSUSMGVUGNKD-HNNXBMFYSA-N 2 2 391.947 3.409 20 0 GGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180937167 1430124380 /nfs/dbraw/zinc/12/43/80/1430124380.db2.gz JHJSUSMGVUGNKD-HNNXBMFYSA-N 2 2 391.947 3.409 20 0 GGADLP Cc1cc(-c2noc([C@@H](C)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)n2)ccc1F ZINC000180958295 1430135605 /nfs/dbraw/zinc/13/56/05/1430135605.db2.gz FYDFILNHNIFEIX-MRXNPFEDSA-N 2 2 389.519 3.203 20 0 GGADLP Cc1cc(-c2noc([C@@H](C)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)n2)ccc1F ZINC000180958295 1430135611 /nfs/dbraw/zinc/13/56/11/1430135611.db2.gz FYDFILNHNIFEIX-MRXNPFEDSA-N 2 2 389.519 3.203 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180997629 1430158546 /nfs/dbraw/zinc/15/85/46/1430158546.db2.gz BIFVLHNQGUYKSI-SFHVURJKSA-N 3 2 391.519 3.015 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181003236 1430162175 /nfs/dbraw/zinc/16/21/75/1430162175.db2.gz CZYHCHNCWVOZHI-APWZRJJASA-N 2 2 381.499 3.150 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181003236 1430162178 /nfs/dbraw/zinc/16/21/78/1430162178.db2.gz CZYHCHNCWVOZHI-APWZRJJASA-N 2 2 381.499 3.150 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000181081842 1430203286 /nfs/dbraw/zinc/20/32/86/1430203286.db2.gz FFIUWJNIKOZBOH-JOCHJYFZSA-N 2 2 394.544 3.441 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000181081842 1430203296 /nfs/dbraw/zinc/20/32/96/1430203296.db2.gz FFIUWJNIKOZBOH-JOCHJYFZSA-N 2 2 394.544 3.441 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)CCCn3cc[nH+]c3)ccc2c1 ZINC000181112989 1430214812 /nfs/dbraw/zinc/21/48/12/1430214812.db2.gz JXCGPYWSIDGRPO-SFHVURJKSA-N 2 2 394.519 3.414 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)ccc2c1 ZINC000181112989 1430214816 /nfs/dbraw/zinc/21/48/16/1430214816.db2.gz JXCGPYWSIDGRPO-SFHVURJKSA-N 2 2 394.519 3.414 20 0 GGADLP Cc1cc2ncc([C@@H](C)[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)c(C)n2n1 ZINC000181194761 1430244750 /nfs/dbraw/zinc/24/47/50/1430244750.db2.gz YMKVLYUHTZQGOS-LJQANCHMSA-N 2 2 392.551 3.209 20 0 GGADLP Cc1cc2ncc([C@H](C)[NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)c(C)n2n1 ZINC000181194784 1430244915 /nfs/dbraw/zinc/24/49/15/1430244915.db2.gz YMKVLYUHTZQGOS-IBGZPJMESA-N 2 2 392.551 3.209 20 0 GGADLP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000181287730 1430263354 /nfs/dbraw/zinc/26/33/54/1430263354.db2.gz KOUAOYJAROTAQX-APWZRJJASA-N 2 2 376.460 3.337 20 0 GGADLP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000181287673 1430263595 /nfs/dbraw/zinc/26/35/95/1430263595.db2.gz KOUAOYJAROTAQX-QFBILLFUSA-N 2 2 376.460 3.337 20 0 GGADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000181295359 1430265599 /nfs/dbraw/zinc/26/55/99/1430265599.db2.gz PCOBXEOQCFTQEG-GOSISDBHSA-N 2 2 381.524 3.002 20 0 GGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000181295359 1430265605 /nfs/dbraw/zinc/26/56/05/1430265605.db2.gz PCOBXEOQCFTQEG-GOSISDBHSA-N 2 2 381.524 3.002 20 0 GGADLP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccnc1 ZINC000181358647 1430281339 /nfs/dbraw/zinc/28/13/39/1430281339.db2.gz QMVFTBSYCAVJQZ-JXFKEZNVSA-N 2 2 386.927 3.339 20 0 GGADLP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1c1c(F)cccc1F ZINC000181442751 1430300560 /nfs/dbraw/zinc/30/05/60/1430300560.db2.gz ZCKGLSZIXSAJQI-INIZCTEOSA-N 2 2 377.479 3.457 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000181471115 1430306822 /nfs/dbraw/zinc/30/68/22/1430306822.db2.gz JYXAQPOPZWCBBZ-PKOBYXMFSA-N 2 2 397.485 3.470 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000181471115 1430306825 /nfs/dbraw/zinc/30/68/25/1430306825.db2.gz JYXAQPOPZWCBBZ-PKOBYXMFSA-N 2 2 397.485 3.470 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000181471115 1430306829 /nfs/dbraw/zinc/30/68/29/1430306829.db2.gz JYXAQPOPZWCBBZ-PKOBYXMFSA-N 2 2 397.485 3.470 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000181471115 1430306832 /nfs/dbraw/zinc/30/68/32/1430306832.db2.gz JYXAQPOPZWCBBZ-PKOBYXMFSA-N 2 2 397.485 3.470 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181497302 1430310834 /nfs/dbraw/zinc/31/08/34/1430310834.db2.gz GJQPDMIEGAPJAY-SFHVURJKSA-N 2 2 394.441 3.415 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181497302 1430310836 /nfs/dbraw/zinc/31/08/36/1430310836.db2.gz GJQPDMIEGAPJAY-SFHVURJKSA-N 2 2 394.441 3.415 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H](C)c1ccccc1 ZINC000181524254 1430315232 /nfs/dbraw/zinc/31/52/32/1430315232.db2.gz QEEVCYYOUZDZSB-RBUKOAKNSA-N 2 2 381.520 3.239 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000181539636 1430317405 /nfs/dbraw/zinc/31/74/05/1430317405.db2.gz ODKXUVXUVSQVPJ-QAPCUYQASA-N 2 2 394.441 3.374 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000181539636 1430317410 /nfs/dbraw/zinc/31/74/10/1430317410.db2.gz ODKXUVXUVSQVPJ-QAPCUYQASA-N 2 2 394.441 3.374 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(C(=O)OC)o2)CC1 ZINC000181626388 1430330193 /nfs/dbraw/zinc/33/01/93/1430330193.db2.gz LDFWCXPVSKSJGI-OAHLLOKOSA-N 2 2 389.471 3.198 20 0 GGADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)c1ccccc1 ZINC000181784114 1430359507 /nfs/dbraw/zinc/35/95/07/1430359507.db2.gz XRPPTLGGBFWGKF-IBGZPJMESA-N 2 2 395.547 3.413 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)c1ccccc1 ZINC000181794633 1430361823 /nfs/dbraw/zinc/36/18/23/1430361823.db2.gz VUXVQUCRAUXJBP-RBUKOAKNSA-N 2 2 380.536 3.075 20 0 GGADLP C[C@@H]([NH2+][C@H](C)C(C)(C)c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181794656 1430362011 /nfs/dbraw/zinc/36/20/11/1430362011.db2.gz VUXVQUCRAUXJBP-RTBURBONSA-N 2 2 380.536 3.075 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000181828086 1430368680 /nfs/dbraw/zinc/36/86/80/1430368680.db2.gz UHIFXAUXDGQVHI-FQEVSTJZSA-N 2 2 389.588 3.024 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000181828086 1430368681 /nfs/dbraw/zinc/36/86/81/1430368681.db2.gz UHIFXAUXDGQVHI-FQEVSTJZSA-N 2 2 389.588 3.024 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000181953512 1430387875 /nfs/dbraw/zinc/38/78/75/1430387875.db2.gz YWTPLSAPLHEKSN-SOLBZPMBSA-N 2 2 387.474 3.395 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000181953512 1430387877 /nfs/dbraw/zinc/38/78/77/1430387877.db2.gz YWTPLSAPLHEKSN-SOLBZPMBSA-N 2 2 387.474 3.395 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000182023374 1430398156 /nfs/dbraw/zinc/39/81/56/1430398156.db2.gz TVFZQOIHXOAWER-SFHVURJKSA-N 2 2 397.519 3.207 20 0 GGADLP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000182092475 1430410317 /nfs/dbraw/zinc/41/03/17/1430410317.db2.gz UJJWVVZQMBDYAE-SFHVURJKSA-N 2 2 385.508 3.043 20 0 GGADLP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000182092475 1430410321 /nfs/dbraw/zinc/41/03/21/1430410321.db2.gz UJJWVVZQMBDYAE-SFHVURJKSA-N 2 2 385.508 3.043 20 0 GGADLP COc1ccc([C@H](CNC(=O)C[NH2+][C@@H](C)c2ccccn2)[NH+]2CCCCC2)cc1 ZINC000182177960 1430424766 /nfs/dbraw/zinc/42/47/66/1430424766.db2.gz ARBIJNCACBAVJI-AVRDEDQJSA-N 2 2 396.535 3.084 20 0 GGADLP C[N@H+](CCN1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000182257988 1430438202 /nfs/dbraw/zinc/43/82/02/1430438202.db2.gz OYYPASKUHIQYLX-UHFFFAOYSA-N 2 2 383.511 3.148 20 0 GGADLP C[N@@H+](CCN1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000182257988 1430438208 /nfs/dbraw/zinc/43/82/08/1430438208.db2.gz OYYPASKUHIQYLX-UHFFFAOYSA-N 2 2 383.511 3.148 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000182293144 1430443595 /nfs/dbraw/zinc/44/35/95/1430443595.db2.gz SJOFHFUIELYDPP-HOTGVXAUSA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000182293144 1430443597 /nfs/dbraw/zinc/44/35/97/1430443597.db2.gz SJOFHFUIELYDPP-HOTGVXAUSA-N 2 2 397.441 3.133 20 0 GGADLP C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182395383 1430459148 /nfs/dbraw/zinc/45/91/48/1430459148.db2.gz XKVJAEIFMBQXDF-WIYYLYMNSA-N 2 2 395.551 3.384 20 0 GGADLP C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182395383 1430459151 /nfs/dbraw/zinc/45/91/51/1430459151.db2.gz XKVJAEIFMBQXDF-WIYYLYMNSA-N 2 2 395.551 3.384 20 0 GGADLP COC[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182521699 1430483138 /nfs/dbraw/zinc/48/31/38/1430483138.db2.gz ZYUTUIAAPQFYJY-QFIPXVFZSA-N 2 2 389.490 3.190 20 0 GGADLP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182521699 1430483142 /nfs/dbraw/zinc/48/31/42/1430483142.db2.gz ZYUTUIAAPQFYJY-QFIPXVFZSA-N 2 2 389.490 3.190 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2ccccc2o1 ZINC000182639895 1430507875 /nfs/dbraw/zinc/50/78/75/1430507875.db2.gz XRUOTZACHLWJCF-SJORKVTESA-N 2 2 378.476 3.216 20 0 GGADLP O=[N+]([O-])c1ccc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)c(C(F)(F)F)c1 ZINC000182747829 1430532575 /nfs/dbraw/zinc/53/25/75/1430532575.db2.gz RUILOUURHRYAGO-UHFFFAOYSA-N 2 2 383.374 3.022 20 0 GGADLP Fc1ccc(-c2nc(CN3CC[NH+](CCCn4cc[nH+]c4)CC3)cs2)cc1 ZINC000182920864 1430571681 /nfs/dbraw/zinc/57/16/81/1430571681.db2.gz PYDFCKPDAHXAMD-UHFFFAOYSA-N 2 2 385.512 3.354 20 0 GGADLP CSc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000182960086 1430580901 /nfs/dbraw/zinc/58/09/01/1430580901.db2.gz JBJHPGBKSSCUGN-UHFFFAOYSA-N 2 2 391.581 3.171 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961961 1430581191 /nfs/dbraw/zinc/58/11/91/1430581191.db2.gz ZMHYBBCJRAJOKL-QGZVFWFLSA-N 2 2 393.959 3.491 20 0 GGADLP c1ccc(CCc2noc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000182978442 1430584314 /nfs/dbraw/zinc/58/43/14/1430584314.db2.gz JOBYZGRXCXOOAA-UHFFFAOYSA-N 2 2 398.551 3.179 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ncc(C(C)C)s3)CC2)CC1 ZINC000183052084 1430600615 /nfs/dbraw/zinc/60/06/15/1430600615.db2.gz XXDMPOBJWTUYOU-UHFFFAOYSA-N 2 2 378.586 3.033 20 0 GGADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183258943 1430661936 /nfs/dbraw/zinc/66/19/36/1430661936.db2.gz YFSPDTMYKXUXKB-IAGOWNOFSA-N 2 2 382.570 3.155 20 0 GGADLP Cc1cc(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000183315367 1430676928 /nfs/dbraw/zinc/67/69/28/1430676928.db2.gz MVUMFJCJLICQKQ-UHFFFAOYSA-N 2 2 378.948 3.006 20 0 GGADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000183422507 1430707878 /nfs/dbraw/zinc/70/78/78/1430707878.db2.gz FIMXAKFELFBVND-QHCPKHFHSA-N 2 2 376.504 3.344 20 0 GGADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000183444180 1430713387 /nfs/dbraw/zinc/71/33/87/1430713387.db2.gz PADRFOQVBIEVJR-MRXNPFEDSA-N 2 2 392.459 3.166 20 0 GGADLP CCOc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668807 1430768295 /nfs/dbraw/zinc/76/82/95/1430768295.db2.gz RHYZQPHGTCWYFY-NHCUHLMSSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668807 1430768303 /nfs/dbraw/zinc/76/83/03/1430768303.db2.gz RHYZQPHGTCWYFY-NHCUHLMSSA-N 2 2 387.568 3.495 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000183816463 1430800569 /nfs/dbraw/zinc/80/05/69/1430800569.db2.gz NXMCIWPUVDJATM-INIZCTEOSA-N 2 2 392.425 3.057 20 0 GGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000184361309 1430878411 /nfs/dbraw/zinc/87/84/11/1430878411.db2.gz PJRHNZFUYSELAY-SFTDATJTSA-N 2 2 397.567 3.254 20 0 GGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000184361309 1430878413 /nfs/dbraw/zinc/87/84/13/1430878413.db2.gz PJRHNZFUYSELAY-SFTDATJTSA-N 2 2 397.567 3.254 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3scnc3C3CCCC3)CC2)CC1 ZINC000184568992 1430906935 /nfs/dbraw/zinc/90/69/35/1430906935.db2.gz FCYYBPMWSUPPKX-UHFFFAOYSA-N 2 2 376.570 3.089 20 0 GGADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184602742 1430916336 /nfs/dbraw/zinc/91/63/36/1430916336.db2.gz UALUUWBSAWTBMG-FQEVSTJZSA-N 2 2 381.524 3.190 20 0 GGADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184602742 1430916344 /nfs/dbraw/zinc/91/63/44/1430916344.db2.gz UALUUWBSAWTBMG-FQEVSTJZSA-N 2 2 381.524 3.190 20 0 GGADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184634718 1430925385 /nfs/dbraw/zinc/92/53/85/1430925385.db2.gz HZSOSIUXTHWTFU-HXUWFJFHSA-N 2 2 377.492 3.140 20 0 GGADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184634718 1430925391 /nfs/dbraw/zinc/92/53/91/1430925391.db2.gz HZSOSIUXTHWTFU-HXUWFJFHSA-N 2 2 377.492 3.140 20 0 GGADLP COc1cc(Cl)cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1O ZINC000184684824 1430941849 /nfs/dbraw/zinc/94/18/49/1430941849.db2.gz LSUVPFDQFLMNBU-HZPDHXFCSA-N 2 2 381.948 3.045 20 0 GGADLP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ncc(-c2ccccc2)o1 ZINC000184689027 1430943291 /nfs/dbraw/zinc/94/32/91/1430943291.db2.gz ZMVQORDNWJCALX-XLIONFOSSA-N 2 2 392.503 3.411 20 0 GGADLP CN(C(=O)NC1Cc2ccccc2C1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000184923979 1431022383 /nfs/dbraw/zinc/02/23/83/1431022383.db2.gz QNILRIVDDHHPMI-PKTZIBPZSA-N 2 2 398.595 3.132 20 0 GGADLP CN(C(=O)NC1Cc2ccccc2C1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000184923979 1431022387 /nfs/dbraw/zinc/02/23/87/1431022387.db2.gz QNILRIVDDHHPMI-PKTZIBPZSA-N 2 2 398.595 3.132 20 0 GGADLP CN(C(=O)NC1Cc2ccccc2C1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000184923999 1431022445 /nfs/dbraw/zinc/02/24/45/1431022445.db2.gz QNILRIVDDHHPMI-GOTSBHOMSA-N 2 2 398.595 3.132 20 0 GGADLP CN(C(=O)NC1Cc2ccccc2C1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000184923999 1431022450 /nfs/dbraw/zinc/02/24/50/1431022450.db2.gz QNILRIVDDHHPMI-GOTSBHOMSA-N 2 2 398.595 3.132 20 0 GGADLP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000184926589 1431023009 /nfs/dbraw/zinc/02/30/09/1431023009.db2.gz PIRKYFDVIRCUEO-WIYYLYMNSA-N 2 2 396.539 3.140 20 0 GGADLP COc1ccccc1C[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000184950447 1431028682 /nfs/dbraw/zinc/02/86/82/1431028682.db2.gz VFWIGOJMAKWOAD-NRFANRHFSA-N 2 2 381.520 3.079 20 0 GGADLP COc1ccccc1C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000184950447 1431028690 /nfs/dbraw/zinc/02/86/90/1431028690.db2.gz VFWIGOJMAKWOAD-NRFANRHFSA-N 2 2 381.520 3.079 20 0 GGADLP CC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000184969128 1431033310 /nfs/dbraw/zinc/03/33/10/1431033310.db2.gz MPFZLCAZDOSRFF-WIYYLYMNSA-N 2 2 383.540 3.134 20 0 GGADLP CC[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000184969128 1431033317 /nfs/dbraw/zinc/03/33/17/1431033317.db2.gz MPFZLCAZDOSRFF-WIYYLYMNSA-N 2 2 383.540 3.134 20 0 GGADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)s1 ZINC000184976452 1431034562 /nfs/dbraw/zinc/03/45/62/1431034562.db2.gz PMAWEENBZWXBFT-GOSISDBHSA-N 2 2 386.565 3.145 20 0 GGADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000184976452 1431034567 /nfs/dbraw/zinc/03/45/67/1431034567.db2.gz PMAWEENBZWXBFT-GOSISDBHSA-N 2 2 386.565 3.145 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000184976358 1431034800 /nfs/dbraw/zinc/03/48/00/1431034800.db2.gz SYRBGPHARVTJKG-IBGZPJMESA-N 2 2 397.544 3.234 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000184976338 1431034867 /nfs/dbraw/zinc/03/48/67/1431034867.db2.gz SYRBGPHARVTJKG-LJQANCHMSA-N 2 2 397.544 3.234 20 0 GGADLP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)N1CC[NH+](C)CC1 ZINC000184977484 1431035007 /nfs/dbraw/zinc/03/50/07/1431035007.db2.gz YWHQSHYPLBGEDW-PBHICJAKSA-N 2 2 384.362 3.077 20 0 GGADLP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Br)cc1O)N1CC[NH+](C)CC1 ZINC000184977467 1431035042 /nfs/dbraw/zinc/03/50/42/1431035042.db2.gz YWHQSHYPLBGEDW-RHSMWYFYSA-N 2 2 384.362 3.077 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000184997218 1431038217 /nfs/dbraw/zinc/03/82/17/1431038217.db2.gz WNZNOKMUWMIROK-IOMROCGXSA-N 2 2 376.566 3.154 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000184997218 1431038223 /nfs/dbraw/zinc/03/82/23/1431038223.db2.gz WNZNOKMUWMIROK-IOMROCGXSA-N 2 2 376.566 3.154 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(N(C)C(=O)c2ccncc2)cc1 ZINC000185203664 1431084066 /nfs/dbraw/zinc/08/40/66/1431084066.db2.gz VJDNRQTZISGQCF-UHFFFAOYSA-N 2 2 375.476 3.109 20 0 GGADLP c1nc(NC2CC[NH+](CC3CC3)CC2)cc(NC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000185208510 1431085406 /nfs/dbraw/zinc/08/54/06/1431085406.db2.gz LCFHBIVGUZIELQ-UHFFFAOYSA-N 3 2 384.572 3.049 20 0 GGADLP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Br)cc1O ZINC000185353304 1431124246 /nfs/dbraw/zinc/12/42/46/1431124246.db2.gz GQQVCPOFVYUNTR-CQSZACIVSA-N 2 2 384.362 3.079 20 0 GGADLP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1O ZINC000185353304 1431124249 /nfs/dbraw/zinc/12/42/49/1431124249.db2.gz GQQVCPOFVYUNTR-CQSZACIVSA-N 2 2 384.362 3.079 20 0 GGADLP CCSc1cccc(C[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000185502178 1431159546 /nfs/dbraw/zinc/15/95/46/1431159546.db2.gz XCBOYCDZIZNXCF-UHFFFAOYSA-N 2 2 384.549 3.022 20 0 GGADLP C[C@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000185606513 1431182630 /nfs/dbraw/zinc/18/26/30/1431182630.db2.gz RSPJDXSTERHFTH-AVRDEDQJSA-N 2 2 386.584 3.368 20 0 GGADLP C[C@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185606513 1431182631 /nfs/dbraw/zinc/18/26/31/1431182631.db2.gz RSPJDXSTERHFTH-AVRDEDQJSA-N 2 2 386.584 3.368 20 0 GGADLP CCCCc1nnc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185715849 1431213874 /nfs/dbraw/zinc/21/38/74/1431213874.db2.gz YIHSIAHZILBXNT-CABCVRRESA-N 2 2 379.574 3.062 20 0 GGADLP CCCCc1nnc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185715849 1431213875 /nfs/dbraw/zinc/21/38/75/1431213875.db2.gz YIHSIAHZILBXNT-CABCVRRESA-N 2 2 379.574 3.062 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730270 1431217605 /nfs/dbraw/zinc/21/76/05/1431217605.db2.gz PBBXVGUIPJBPTE-ZIAGYGMSSA-N 2 2 379.574 3.017 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730270 1431217608 /nfs/dbraw/zinc/21/76/08/1431217608.db2.gz PBBXVGUIPJBPTE-ZIAGYGMSSA-N 2 2 379.574 3.017 20 0 GGADLP COc1ccsc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000186126858 1431336416 /nfs/dbraw/zinc/33/64/16/1431336416.db2.gz UHGWURBJBSTXGZ-MRXNPFEDSA-N 2 2 376.522 3.319 20 0 GGADLP COc1ccsc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000186133589 1431338469 /nfs/dbraw/zinc/33/84/69/1431338469.db2.gz ARLAHAAMTSJOGJ-MRXNPFEDSA-N 2 2 376.522 3.319 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000186274026 1431369119 /nfs/dbraw/zinc/36/91/19/1431369119.db2.gz DCEXGXVYTOVBID-OAQYLSRUSA-N 2 2 381.524 3.140 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000186274026 1431369124 /nfs/dbraw/zinc/36/91/24/1431369124.db2.gz DCEXGXVYTOVBID-OAQYLSRUSA-N 2 2 381.524 3.140 20 0 GGADLP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000186352237 1431389591 /nfs/dbraw/zinc/38/95/91/1431389591.db2.gz NUYUOFIMEZQXCQ-UHFFFAOYSA-N 2 2 384.524 3.263 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000186518710 1431444577 /nfs/dbraw/zinc/44/45/77/1431444577.db2.gz UDHWPOSVCISEPY-IPMKNSEASA-N 2 2 378.582 3.400 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000186518710 1431444583 /nfs/dbraw/zinc/44/45/83/1431444583.db2.gz UDHWPOSVCISEPY-IPMKNSEASA-N 2 2 378.582 3.400 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000186518655 1431444654 /nfs/dbraw/zinc/44/46/54/1431444654.db2.gz UDHWPOSVCISEPY-CEXWTWQISA-N 2 2 378.582 3.400 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000186518655 1431444658 /nfs/dbraw/zinc/44/46/58/1431444658.db2.gz UDHWPOSVCISEPY-CEXWTWQISA-N 2 2 378.582 3.400 20 0 GGADLP CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)Cc1ccsc1 ZINC000186694004 1431493616 /nfs/dbraw/zinc/49/36/16/1431493616.db2.gz SQCGWSNSVWZCPQ-QGZVFWFLSA-N 2 2 392.613 3.269 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(-c4ncco4)cc3)CC2)CC1 ZINC000186736033 1431505288 /nfs/dbraw/zinc/50/52/88/1431505288.db2.gz YNJCRKQQXMLDRD-UHFFFAOYSA-N 2 2 383.496 3.022 20 0 GGADLP CN1c2ccc(C[N@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc2CCC1=O ZINC000186919302 1431565528 /nfs/dbraw/zinc/56/55/28/1431565528.db2.gz NIEFHBAMMLLMBE-UHFFFAOYSA-N 2 2 392.547 3.130 20 0 GGADLP CN1c2ccc(C[N@@H+](C)C3CC[NH+](CCc4ccccn4)CC3)cc2CCC1=O ZINC000186919302 1431565531 /nfs/dbraw/zinc/56/55/31/1431565531.db2.gz NIEFHBAMMLLMBE-UHFFFAOYSA-N 2 2 392.547 3.130 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)[C@H](C)C1 ZINC000187009807 1431588474 /nfs/dbraw/zinc/58/84/74/1431588474.db2.gz CTENVUDXASEVCM-HBFSDRIKSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)[C@H](C)C1 ZINC000187009807 1431588476 /nfs/dbraw/zinc/58/84/76/1431588476.db2.gz CTENVUDXASEVCM-HBFSDRIKSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000187022553 1431592811 /nfs/dbraw/zinc/59/28/11/1431592811.db2.gz AUPJYYQJCLAGDD-ZRGWGRIASA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000187022553 1431592815 /nfs/dbraw/zinc/59/28/15/1431592815.db2.gz AUPJYYQJCLAGDD-ZRGWGRIASA-N 2 2 383.483 3.018 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187446894 1431732891 /nfs/dbraw/zinc/73/28/91/1431732891.db2.gz ALRHVJQFVFFGFA-NHCUHLMSSA-N 2 2 386.584 3.065 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187446894 1431732894 /nfs/dbraw/zinc/73/28/94/1431732894.db2.gz ALRHVJQFVFFGFA-NHCUHLMSSA-N 2 2 386.584 3.065 20 0 GGADLP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2)CC1 ZINC000187969866 1431832542 /nfs/dbraw/zinc/83/25/42/1431832542.db2.gz RBCOYNYFPCYTQB-JOCHJYFZSA-N 2 2 376.504 3.246 20 0 GGADLP Cc1ccc(Cl)cc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000188022907 1431837267 /nfs/dbraw/zinc/83/72/67/1431837267.db2.gz NVCLTFQYPBCHNP-UHFFFAOYSA-N 2 2 378.948 3.006 20 0 GGADLP Cc1cc(N2CCC([NH2+][C@@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000188114890 1431848360 /nfs/dbraw/zinc/84/83/60/1431848360.db2.gz FVVNRBVUKMSURS-HXUWFJFHSA-N 2 2 380.471 3.304 20 0 GGADLP CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(F)c1 ZINC000188192764 1431858878 /nfs/dbraw/zinc/85/88/78/1431858878.db2.gz JHGQJUCRCNZRAZ-UXHICEINSA-N 2 2 399.514 3.162 20 0 GGADLP C[N@H+](Cc1cccc(OC(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188306361 1431871413 /nfs/dbraw/zinc/87/14/13/1431871413.db2.gz SNLODOKRFYGVGQ-OAQYLSRUSA-N 2 2 376.447 3.357 20 0 GGADLP C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188306361 1431871414 /nfs/dbraw/zinc/87/14/14/1431871414.db2.gz SNLODOKRFYGVGQ-OAQYLSRUSA-N 2 2 376.447 3.357 20 0 GGADLP C[NH+](Cc1cccc(OC(F)F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188306361 1431871415 /nfs/dbraw/zinc/87/14/15/1431871415.db2.gz SNLODOKRFYGVGQ-OAQYLSRUSA-N 2 2 376.447 3.357 20 0 GGADLP C[NH+](Cc1cccc(OC(F)F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188306361 1431871417 /nfs/dbraw/zinc/87/14/17/1431871417.db2.gz SNLODOKRFYGVGQ-OAQYLSRUSA-N 2 2 376.447 3.357 20 0 GGADLP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317328 1431872544 /nfs/dbraw/zinc/87/25/44/1431872544.db2.gz GANMYXLNCXNPAW-HSZRJFAPSA-N 2 2 377.488 3.009 20 0 GGADLP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317328 1431872545 /nfs/dbraw/zinc/87/25/45/1431872545.db2.gz GANMYXLNCXNPAW-HSZRJFAPSA-N 2 2 377.488 3.009 20 0 GGADLP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188317328 1431872547 /nfs/dbraw/zinc/87/25/47/1431872547.db2.gz GANMYXLNCXNPAW-HSZRJFAPSA-N 2 2 377.488 3.009 20 0 GGADLP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188317328 1431872548 /nfs/dbraw/zinc/87/25/48/1431872548.db2.gz GANMYXLNCXNPAW-HSZRJFAPSA-N 2 2 377.488 3.009 20 0 GGADLP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317349 1431872712 /nfs/dbraw/zinc/87/27/12/1431872712.db2.gz GANMYXLNCXNPAW-QHCPKHFHSA-N 2 2 377.488 3.009 20 0 GGADLP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317349 1431872714 /nfs/dbraw/zinc/87/27/14/1431872714.db2.gz GANMYXLNCXNPAW-QHCPKHFHSA-N 2 2 377.488 3.009 20 0 GGADLP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188317349 1431872715 /nfs/dbraw/zinc/87/27/15/1431872715.db2.gz GANMYXLNCXNPAW-QHCPKHFHSA-N 2 2 377.488 3.009 20 0 GGADLP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188317349 1431872717 /nfs/dbraw/zinc/87/27/17/1431872717.db2.gz GANMYXLNCXNPAW-QHCPKHFHSA-N 2 2 377.488 3.009 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(F)ccc3Cl)CC2)CC1 ZINC000188996752 1432024306 /nfs/dbraw/zinc/02/43/06/1432024306.db2.gz UMDKKPPFHHJORM-UHFFFAOYSA-N 2 2 381.923 3.245 20 0 GGADLP C[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000189042386 1432033232 /nfs/dbraw/zinc/03/32/32/1432033232.db2.gz TUJBNYNXZVLNKY-YXWAVELNSA-N 2 2 383.536 3.304 20 0 GGADLP C[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000189042386 1432033234 /nfs/dbraw/zinc/03/32/34/1432033234.db2.gz TUJBNYNXZVLNKY-YXWAVELNSA-N 2 2 383.536 3.304 20 0 GGADLP O=C(CC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000189105288 1432045682 /nfs/dbraw/zinc/04/56/82/1432045682.db2.gz YUHGXAJKBVXATB-VXKWHMMOSA-N 2 2 392.547 3.121 20 0 GGADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)N1CCc2ccccc2C1 ZINC000189133523 1432050429 /nfs/dbraw/zinc/05/04/29/1432050429.db2.gz XEKQGTCFMARQJS-UHFFFAOYSA-N 2 2 379.548 3.462 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]CCC(=O)N1CCc2ccccc2C1 ZINC000189133523 1432050435 /nfs/dbraw/zinc/05/04/35/1432050435.db2.gz XEKQGTCFMARQJS-UHFFFAOYSA-N 2 2 379.548 3.462 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1(c2ccccc2)CC1 ZINC000189305793 1432082406 /nfs/dbraw/zinc/08/24/06/1432082406.db2.gz KRTLCWFDDRTTLQ-UHFFFAOYSA-N 2 2 393.531 3.121 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)CC1(c2ccccc2)CC1 ZINC000189305793 1432082408 /nfs/dbraw/zinc/08/24/08/1432082408.db2.gz KRTLCWFDDRTTLQ-UHFFFAOYSA-N 2 2 393.531 3.121 20 0 GGADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000189902381 1432267728 /nfs/dbraw/zinc/26/77/28/1432267728.db2.gz RDCRSJVUIVFDQL-UHFFFAOYSA-N 2 2 380.536 3.400 20 0 GGADLP Cn1c[nH+]cc1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000189902381 1432267735 /nfs/dbraw/zinc/26/77/35/1432267735.db2.gz RDCRSJVUIVFDQL-UHFFFAOYSA-N 2 2 380.536 3.400 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000190000325 1432302431 /nfs/dbraw/zinc/30/24/31/1432302431.db2.gz ICCNAWLYQFENRF-SJLPKXTDSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000190000325 1432302435 /nfs/dbraw/zinc/30/24/35/1432302435.db2.gz ICCNAWLYQFENRF-SJLPKXTDSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000190004195 1432302779 /nfs/dbraw/zinc/30/27/79/1432302779.db2.gz ICWHCDZJCBYLMT-AEFFLSMTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000190004195 1432302782 /nfs/dbraw/zinc/30/27/82/1432302782.db2.gz ICWHCDZJCBYLMT-AEFFLSMTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000190006993 1432303220 /nfs/dbraw/zinc/30/32/20/1432303220.db2.gz OROFRMLBLOSNSS-VQIMIIECSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000190006993 1432303222 /nfs/dbraw/zinc/30/32/22/1432303222.db2.gz OROFRMLBLOSNSS-VQIMIIECSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2SC)[C@H](C)C1 ZINC000190005135 1432303292 /nfs/dbraw/zinc/30/32/92/1432303292.db2.gz MCWAGLMFBCLCJE-SQNIBIBYSA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2SC)[C@H](C)C1 ZINC000190005135 1432303295 /nfs/dbraw/zinc/30/32/95/1432303295.db2.gz MCWAGLMFBCLCJE-SQNIBIBYSA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000190007663 1432303929 /nfs/dbraw/zinc/30/39/29/1432303929.db2.gz ZASQZDYMTUERMW-FUHIMQAGSA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000190007663 1432303933 /nfs/dbraw/zinc/30/39/33/1432303933.db2.gz ZASQZDYMTUERMW-FUHIMQAGSA-N 2 2 393.597 3.462 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(-n4cccc4)c3)CC2)CC1 ZINC000190173100 1432333335 /nfs/dbraw/zinc/33/33/35/1432333335.db2.gz NSDDMPHPLRCZGB-UHFFFAOYSA-N 2 2 381.524 3.157 20 0 GGADLP Cn1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000190312303 1432358244 /nfs/dbraw/zinc/35/82/44/1432358244.db2.gz HIACGZZASOTFCC-JOCHJYFZSA-N 2 2 396.560 3.217 20 0 GGADLP Cn1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000190312303 1432358247 /nfs/dbraw/zinc/35/82/47/1432358247.db2.gz HIACGZZASOTFCC-JOCHJYFZSA-N 2 2 396.560 3.217 20 0 GGADLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000190312303 1432358250 /nfs/dbraw/zinc/35/82/50/1432358250.db2.gz HIACGZZASOTFCC-JOCHJYFZSA-N 2 2 396.560 3.217 20 0 GGADLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000190312303 1432358254 /nfs/dbraw/zinc/35/82/54/1432358254.db2.gz HIACGZZASOTFCC-JOCHJYFZSA-N 2 2 396.560 3.217 20 0 GGADLP CCOCc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000190313560 1432358741 /nfs/dbraw/zinc/35/87/41/1432358741.db2.gz MBXODPLHQVOEDD-XMMPIXPASA-N 2 2 398.547 3.301 20 0 GGADLP CCOCc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000190313560 1432358745 /nfs/dbraw/zinc/35/87/45/1432358745.db2.gz MBXODPLHQVOEDD-XMMPIXPASA-N 2 2 398.547 3.301 20 0 GGADLP CCOCc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000190313560 1432358749 /nfs/dbraw/zinc/35/87/49/1432358749.db2.gz MBXODPLHQVOEDD-XMMPIXPASA-N 2 2 398.547 3.301 20 0 GGADLP CCOCc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000190313560 1432358752 /nfs/dbraw/zinc/35/87/52/1432358752.db2.gz MBXODPLHQVOEDD-XMMPIXPASA-N 2 2 398.547 3.301 20 0 GGADLP COc1cc(Cl)cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190314771 1432359114 /nfs/dbraw/zinc/35/91/14/1432359114.db2.gz WLIJZIWWDKVEPK-NRFANRHFSA-N 2 2 390.911 3.123 20 0 GGADLP COc1cc(Cl)cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190314771 1432359118 /nfs/dbraw/zinc/35/91/18/1432359118.db2.gz WLIJZIWWDKVEPK-NRFANRHFSA-N 2 2 390.911 3.123 20 0 GGADLP COc1cc(Cl)cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000190314771 1432359122 /nfs/dbraw/zinc/35/91/22/1432359122.db2.gz WLIJZIWWDKVEPK-NRFANRHFSA-N 2 2 390.911 3.123 20 0 GGADLP COc1cc(Cl)cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000190314771 1432359124 /nfs/dbraw/zinc/35/91/24/1432359124.db2.gz WLIJZIWWDKVEPK-NRFANRHFSA-N 2 2 390.911 3.123 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000190318524 1432360683 /nfs/dbraw/zinc/36/06/83/1432360683.db2.gz BOQLCLYVFCTIMY-DEOSSOPVSA-N 2 2 390.531 3.454 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000190318524 1432360689 /nfs/dbraw/zinc/36/06/89/1432360689.db2.gz BOQLCLYVFCTIMY-DEOSSOPVSA-N 2 2 390.531 3.454 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000190318524 1432360694 /nfs/dbraw/zinc/36/06/94/1432360694.db2.gz BOQLCLYVFCTIMY-DEOSSOPVSA-N 2 2 390.531 3.454 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000190318524 1432360699 /nfs/dbraw/zinc/36/06/99/1432360699.db2.gz BOQLCLYVFCTIMY-DEOSSOPVSA-N 2 2 390.531 3.454 20 0 GGADLP CC[C@@]1(C)Oc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2O1 ZINC000190429785 1432380316 /nfs/dbraw/zinc/38/03/16/1432380316.db2.gz MHKCNYBQXSCEQG-NRFANRHFSA-N 2 2 390.528 3.074 20 0 GGADLP CC[C@@]1(C)Oc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2O1 ZINC000190429785 1432380318 /nfs/dbraw/zinc/38/03/18/1432380318.db2.gz MHKCNYBQXSCEQG-NRFANRHFSA-N 2 2 390.528 3.074 20 0 GGADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3nccn3-c3ccccc3)cc2)CC1 ZINC000190778097 1432475874 /nfs/dbraw/zinc/47/58/74/1432475874.db2.gz FHEQYGILUJBYLR-UHFFFAOYSA-N 2 2 389.547 3.300 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000191278049 1432618695 /nfs/dbraw/zinc/61/86/95/1432618695.db2.gz ZLWPHVSZBUKEGB-UHFFFAOYSA-N 2 2 389.544 3.150 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CN1C(=O)NC2(CCCCCCC2)C1=O ZINC000191278049 1432618696 /nfs/dbraw/zinc/61/86/96/1432618696.db2.gz ZLWPHVSZBUKEGB-UHFFFAOYSA-N 2 2 389.544 3.150 20 0 GGADLP Oc1ccc(Cl)c(F)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000191287983 1432621954 /nfs/dbraw/zinc/62/19/54/1432621954.db2.gz HZICUKHKQKTNMC-UHFFFAOYSA-N 2 2 378.875 3.431 20 0 GGADLP CC[N@@H+](Cc1ccc(N(C)CCOC)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387164 1432648075 /nfs/dbraw/zinc/64/80/75/1432648075.db2.gz ATYXHHBDZCNCSG-UHFFFAOYSA-N 2 2 397.567 3.298 20 0 GGADLP CC[N@H+](Cc1ccc(N(C)CCOC)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191387164 1432648087 /nfs/dbraw/zinc/64/80/87/1432648087.db2.gz ATYXHHBDZCNCSG-UHFFFAOYSA-N 2 2 397.567 3.298 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000191472249 1432667752 /nfs/dbraw/zinc/66/77/52/1432667752.db2.gz VBTJPXXEMMCMEU-UHFFFAOYSA-N 2 2 385.537 3.430 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)c1nc2ccccc2s1 ZINC000191472249 1432667755 /nfs/dbraw/zinc/66/77/55/1432667755.db2.gz VBTJPXXEMMCMEU-UHFFFAOYSA-N 2 2 385.537 3.430 20 0 GGADLP CCOC(=O)[C@](C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000191637980 1432697718 /nfs/dbraw/zinc/69/77/18/1432697718.db2.gz COQXVDYZJAGHCG-HSZRJFAPSA-N 2 2 381.520 3.157 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([S@](C)=O)cc1 ZINC000191832809 1432734836 /nfs/dbraw/zinc/73/48/36/1432734836.db2.gz MSZZOFFNYZYHIX-OVYPOVDJSA-N 2 2 386.561 3.366 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([S@](C)=O)cc1 ZINC000191832809 1432734843 /nfs/dbraw/zinc/73/48/43/1432734843.db2.gz MSZZOFFNYZYHIX-OVYPOVDJSA-N 2 2 386.561 3.366 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cncn2)cc1 ZINC000191833332 1432735492 /nfs/dbraw/zinc/73/54/92/1432735492.db2.gz VVGLMETYJLYDAV-XXBNENTESA-N 2 2 391.519 3.209 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cncn2)cc1 ZINC000191833332 1432735495 /nfs/dbraw/zinc/73/54/95/1432735495.db2.gz VVGLMETYJLYDAV-XXBNENTESA-N 2 2 391.519 3.209 20 0 GGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000191976114 1432772732 /nfs/dbraw/zinc/77/27/32/1432772732.db2.gz TVJWBEVYAIDVAY-IRXDYDNUSA-N 2 2 383.939 3.348 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000191976118 1432773045 /nfs/dbraw/zinc/77/30/45/1432773045.db2.gz TVJWBEVYAIDVAY-IAGOWNOFSA-N 2 2 383.939 3.348 20 0 GGADLP CCNc1ccc(Cl)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000192207061 1432816201 /nfs/dbraw/zinc/81/62/01/1432816201.db2.gz NAWJLZSSWYDRQE-UHFFFAOYSA-N 2 2 378.948 3.060 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000192349693 1432835081 /nfs/dbraw/zinc/83/50/81/1432835081.db2.gz OWJNWXDAXCLQPU-OTWHNJEPSA-N 2 2 377.577 3.234 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000192349693 1432835082 /nfs/dbraw/zinc/83/50/82/1432835082.db2.gz OWJNWXDAXCLQPU-OTWHNJEPSA-N 2 2 377.577 3.234 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000192349707 1432835087 /nfs/dbraw/zinc/83/50/87/1432835087.db2.gz OWJNWXDAXCLQPU-GBESFXJTSA-N 2 2 377.577 3.234 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355159 1432835824 /nfs/dbraw/zinc/83/58/24/1432835824.db2.gz ASCVOPGJORUOTN-HXUWFJFHSA-N 2 2 380.492 3.359 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355159 1432835826 /nfs/dbraw/zinc/83/58/26/1432835826.db2.gz ASCVOPGJORUOTN-HXUWFJFHSA-N 2 2 380.492 3.359 20 0 GGADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2ccccc2)n1 ZINC000192354512 1432835956 /nfs/dbraw/zinc/83/59/56/1432835956.db2.gz IPXOBJSJMIQSBQ-HSZRJFAPSA-N 2 2 390.531 3.468 20 0 GGADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2ccccc2)n1 ZINC000192354512 1432835957 /nfs/dbraw/zinc/83/59/57/1432835957.db2.gz IPXOBJSJMIQSBQ-HSZRJFAPSA-N 2 2 390.531 3.468 20 0 GGADLP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357093 1432836068 /nfs/dbraw/zinc/83/60/68/1432836068.db2.gz NNQIBQPJVXWWHS-NRFANRHFSA-N 2 2 377.488 3.321 20 0 GGADLP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357093 1432836070 /nfs/dbraw/zinc/83/60/70/1432836070.db2.gz NNQIBQPJVXWWHS-NRFANRHFSA-N 2 2 377.488 3.321 20 0 GGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356695 1432836083 /nfs/dbraw/zinc/83/60/83/1432836083.db2.gz CXTSIIVLGFIOBW-QFIPXVFZSA-N 2 2 376.504 3.457 20 0 GGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356695 1432836084 /nfs/dbraw/zinc/83/60/84/1432836084.db2.gz CXTSIIVLGFIOBW-QFIPXVFZSA-N 2 2 376.504 3.457 20 0 GGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357672 1432836119 /nfs/dbraw/zinc/83/61/19/1432836119.db2.gz LBQQDLYEHPYAAU-SIKLNZKXSA-N 2 2 381.520 3.284 20 0 GGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357672 1432836121 /nfs/dbraw/zinc/83/61/21/1432836121.db2.gz LBQQDLYEHPYAAU-SIKLNZKXSA-N 2 2 381.520 3.284 20 0 GGADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000192576649 1432862271 /nfs/dbraw/zinc/86/22/71/1432862271.db2.gz MPRXOIUQOICMPP-VMPITWQZSA-N 2 2 387.487 3.061 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192730380 1432881340 /nfs/dbraw/zinc/88/13/40/1432881340.db2.gz CYNVEJNBYNMYAJ-HOTGVXAUSA-N 2 2 387.503 3.183 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192730416 1432881379 /nfs/dbraw/zinc/88/13/79/1432881379.db2.gz CYNVEJNBYNMYAJ-JKSUJKDBSA-N 2 2 387.503 3.183 20 0 GGADLP Cc1ccc(NCCCNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[nH+]c1 ZINC000193093889 1432935378 /nfs/dbraw/zinc/93/53/78/1432935378.db2.gz PSVPRJOLPPFICP-GOSISDBHSA-N 2 2 385.512 3.311 20 0 GGADLP Cn1c[nH+]cc1CCC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000193211394 1432958843 /nfs/dbraw/zinc/95/88/43/1432958843.db2.gz ADVSHIRDKSVOPP-UHFFFAOYSA-N 2 2 382.552 3.204 20 0 GGADLP CC(C)C[NH+]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000193605408 1433027657 /nfs/dbraw/zinc/02/76/57/1433027657.db2.gz KQZKWICSMFLPNL-OALUTQOASA-N 2 2 388.556 3.101 20 0 GGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193981580 1433095840 /nfs/dbraw/zinc/09/58/40/1433095840.db2.gz FUDVQJLULICTRO-DNVJHFABSA-N 2 2 383.580 3.132 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H](c3cccc(F)c3)[NH+](C)C)CC2)[nH+]c1 ZINC000194053890 1433108563 /nfs/dbraw/zinc/10/85/63/1433108563.db2.gz PADDNJBHXSJEMS-HXUWFJFHSA-N 2 2 384.499 3.165 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194097496 1433116807 /nfs/dbraw/zinc/11/68/07/1433116807.db2.gz LGTVLVZUJUXYAY-NRFANRHFSA-N 2 2 389.503 3.194 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194097496 1433116810 /nfs/dbraw/zinc/11/68/10/1433116810.db2.gz LGTVLVZUJUXYAY-NRFANRHFSA-N 2 2 389.503 3.194 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000194139430 1433124193 /nfs/dbraw/zinc/12/41/93/1433124193.db2.gz XEKVCQNJKKRYBW-UHFFFAOYSA-N 2 2 392.547 3.171 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NCCC[N@H+]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000194139430 1433124197 /nfs/dbraw/zinc/12/41/97/1433124197.db2.gz XEKVCQNJKKRYBW-UHFFFAOYSA-N 2 2 392.547 3.171 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000194146286 1433126202 /nfs/dbraw/zinc/12/62/02/1433126202.db2.gz CXQGFMYPEDSDNV-JOCHJYFZSA-N 2 2 392.547 3.387 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000194146286 1433126208 /nfs/dbraw/zinc/12/62/08/1433126208.db2.gz CXQGFMYPEDSDNV-JOCHJYFZSA-N 2 2 392.547 3.387 20 0 GGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3nc(-c4ccccc4)c[nH]3)cc2)CC1 ZINC000194244521 1433147237 /nfs/dbraw/zinc/14/72/37/1433147237.db2.gz DUONCSCMSPAYAI-UHFFFAOYSA-N 2 2 375.520 3.114 20 0 GGADLP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)CC1 ZINC000194354616 1433165963 /nfs/dbraw/zinc/16/59/63/1433165963.db2.gz BTNYFBZVGUNWAH-UHFFFAOYSA-N 2 2 376.504 3.323 20 0 GGADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)CC2)oc1C ZINC000195033492 1433283686 /nfs/dbraw/zinc/28/36/86/1433283686.db2.gz PZQFCWVNBDRHGX-HXUWFJFHSA-N 2 2 380.496 3.001 20 0 GGADLP Cc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000195064856 1433287655 /nfs/dbraw/zinc/28/76/55/1433287655.db2.gz QJYFRESPFDBTDJ-NRFANRHFSA-N 2 2 380.536 3.334 20 0 GGADLP COc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c2ccccc12 ZINC000195205653 1433307155 /nfs/dbraw/zinc/30/71/55/1433307155.db2.gz GGTZVJDYUJXOJW-UHFFFAOYSA-N 2 2 381.520 3.137 20 0 GGADLP COc1cccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000195286787 1433315238 /nfs/dbraw/zinc/31/52/38/1433315238.db2.gz HMSYDFSRAVILLC-YADHBBJMSA-N 2 2 381.520 3.251 20 0 GGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000236796986 1433379228 /nfs/dbraw/zinc/37/92/28/1433379228.db2.gz JZWLEUWJCLCLHI-SFHVURJKSA-N 2 2 396.457 3.338 20 0 GGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000236796986 1433379230 /nfs/dbraw/zinc/37/92/30/1433379230.db2.gz JZWLEUWJCLCLHI-SFHVURJKSA-N 2 2 396.457 3.338 20 0 GGADLP CCCOc1ccc(Br)cc1C[NH2+]C1CC[NH+](CCOC)CC1 ZINC000236925697 1433383251 /nfs/dbraw/zinc/38/32/51/1433383251.db2.gz XCHYXBWIOXSJAS-UHFFFAOYSA-N 2 2 385.346 3.438 20 0 GGADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)CCCC2)no1 ZINC000236942472 1433383692 /nfs/dbraw/zinc/38/36/92/1433383692.db2.gz GHJDZVSBCNSZGU-QFBILLFUSA-N 2 2 399.539 3.133 20 0 GGADLP CC[NH+](CC)Cc1nc(C2(NC(=O)CC[C@@H]([NH3+])c3ccccc3)CCCC2)no1 ZINC000236942141 1433383768 /nfs/dbraw/zinc/38/37/68/1433383768.db2.gz NFMYABQACWFAMF-GOSISDBHSA-N 2 2 399.539 3.277 20 0 GGADLP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000236962844 1433384278 /nfs/dbraw/zinc/38/42/78/1433384278.db2.gz GWXVJIDQBIZBQR-QFIPXVFZSA-N 2 2 380.536 3.070 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000237026150 1433386271 /nfs/dbraw/zinc/38/62/71/1433386271.db2.gz MBMOXKCKHBTOBO-UHFFFAOYSA-N 2 2 398.532 3.193 20 0 GGADLP COc1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1OCc1ccccc1 ZINC000237126116 1433390136 /nfs/dbraw/zinc/39/01/36/1433390136.db2.gz UDNOYXSQMIDPOP-UHFFFAOYSA-N 2 2 384.520 3.211 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)CCC[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000237418536 1433402028 /nfs/dbraw/zinc/40/20/28/1433402028.db2.gz SLHVCVXHGRWFSX-GOSISDBHSA-N 2 2 389.590 3.425 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)CCC[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000237418536 1433402036 /nfs/dbraw/zinc/40/20/36/1433402036.db2.gz SLHVCVXHGRWFSX-GOSISDBHSA-N 2 2 389.590 3.425 20 0 GGADLP CSc1ccc([C@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000237427263 1433402532 /nfs/dbraw/zinc/40/25/32/1433402532.db2.gz YONVTQFJYGAFRM-KRWDZBQOSA-N 2 2 389.590 3.423 20 0 GGADLP CSc1ccc([C@H](CNC(=O)C(C)(C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000237427263 1433402533 /nfs/dbraw/zinc/40/25/33/1433402533.db2.gz YONVTQFJYGAFRM-KRWDZBQOSA-N 2 2 389.590 3.423 20 0 GGADLP CSc1ccc([C@H](CNC(=O)CCC[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000237427322 1433402573 /nfs/dbraw/zinc/40/25/73/1433402573.db2.gz SLHVCVXHGRWFSX-SFHVURJKSA-N 2 2 389.590 3.425 20 0 GGADLP CSc1ccc([C@H](CNC(=O)CCC[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000237427322 1433402577 /nfs/dbraw/zinc/40/25/77/1433402577.db2.gz SLHVCVXHGRWFSX-SFHVURJKSA-N 2 2 389.590 3.425 20 0 GGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC000237614008 1433412628 /nfs/dbraw/zinc/41/26/28/1433412628.db2.gz WFGUOSPFTUYVTM-IYBDPMFKSA-N 2 2 396.457 3.480 20 0 GGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC000237614008 1433412634 /nfs/dbraw/zinc/41/26/34/1433412634.db2.gz WFGUOSPFTUYVTM-IYBDPMFKSA-N 2 2 396.457 3.480 20 0 GGADLP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnc(N3CCOCC3)s2)CC1 ZINC000237734103 1433419558 /nfs/dbraw/zinc/41/95/58/1433419558.db2.gz KBOPOLJGTLZQLC-UHFFFAOYSA-N 2 2 386.565 3.042 20 0 GGADLP O=C(CCC1CC[NH2+]CC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237763029 1433422124 /nfs/dbraw/zinc/42/21/24/1433422124.db2.gz HYPFHYVWJHNXFK-SFHVURJKSA-N 2 2 381.923 3.340 20 0 GGADLP O=C(CCC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237763029 1433422133 /nfs/dbraw/zinc/42/21/33/1433422133.db2.gz HYPFHYVWJHNXFK-SFHVURJKSA-N 2 2 381.923 3.340 20 0 GGADLP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237762293 1433422300 /nfs/dbraw/zinc/42/23/00/1433422300.db2.gz HYPFHYVWJHNXFK-GOSISDBHSA-N 2 2 381.923 3.340 20 0 GGADLP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237762293 1433422301 /nfs/dbraw/zinc/42/23/01/1433422301.db2.gz HYPFHYVWJHNXFK-GOSISDBHSA-N 2 2 381.923 3.340 20 0 GGADLP [NH3+][C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237848836 1433428589 /nfs/dbraw/zinc/42/85/89/1433428589.db2.gz FXLXTKXVNRVFFA-PKOBYXMFSA-N 2 2 375.875 3.260 20 0 GGADLP [NH3+][C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237848836 1433428592 /nfs/dbraw/zinc/42/85/92/1433428592.db2.gz FXLXTKXVNRVFFA-PKOBYXMFSA-N 2 2 375.875 3.260 20 0 GGADLP [NH3+][C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000238018890 1433439597 /nfs/dbraw/zinc/43/95/97/1433439597.db2.gz PPFBDFWNFUAWRN-MJGOQNOKSA-N 2 2 375.875 3.432 20 0 GGADLP [NH3+]C[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238034794 1433440406 /nfs/dbraw/zinc/44/04/06/1433440406.db2.gz OCHPREWRUUPBIT-RTBURBONSA-N 2 2 389.902 3.302 20 0 GGADLP [NH3+]C[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238034794 1433440408 /nfs/dbraw/zinc/44/04/08/1433440408.db2.gz OCHPREWRUUPBIT-RTBURBONSA-N 2 2 389.902 3.302 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cs1 ZINC000238079067 1433442227 /nfs/dbraw/zinc/44/22/27/1433442227.db2.gz QDLKDCRCCZSNNZ-QGZVFWFLSA-N 2 2 398.557 3.193 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cs1 ZINC000238079067 1433442230 /nfs/dbraw/zinc/44/22/30/1433442230.db2.gz QDLKDCRCCZSNNZ-QGZVFWFLSA-N 2 2 398.557 3.193 20 0 GGADLP C[C@H](C(=O)NCCc1cccs1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245439878 1433467839 /nfs/dbraw/zinc/46/78/39/1433467839.db2.gz GCUVSCVQJVDQNF-UYAOXDASSA-N 2 2 385.577 3.249 20 0 GGADLP C[C@H](C(=O)NCCc1cccs1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245439878 1433467842 /nfs/dbraw/zinc/46/78/42/1433467842.db2.gz GCUVSCVQJVDQNF-UYAOXDASSA-N 2 2 385.577 3.249 20 0 GGADLP C[C@H](C(=O)NCCc1cccs1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245439878 1433467848 /nfs/dbraw/zinc/46/78/48/1433467848.db2.gz GCUVSCVQJVDQNF-UYAOXDASSA-N 2 2 385.577 3.249 20 0 GGADLP C[C@H](C(=O)NCCc1cccs1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245439878 1433467850 /nfs/dbraw/zinc/46/78/50/1433467850.db2.gz GCUVSCVQJVDQNF-UYAOXDASSA-N 2 2 385.577 3.249 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245450449 1433470026 /nfs/dbraw/zinc/47/00/26/1433470026.db2.gz OPRJRUWOIPTMBL-OALUTQOASA-N 2 2 382.552 3.023 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245450449 1433470027 /nfs/dbraw/zinc/47/00/27/1433470027.db2.gz OPRJRUWOIPTMBL-OALUTQOASA-N 2 2 382.552 3.023 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2cccc(C[NH+]3CC[C@@H](C[N@@H+](C)CC)C3)c2)C1 ZINC000245455104 1433470836 /nfs/dbraw/zinc/47/08/36/1433470836.db2.gz SKSNMMVLKXFKHT-ZEQRLZLVSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2cccc(C[NH+]3CC[C@@H](C[N@H+](C)CC)C3)c2)C1 ZINC000245455104 1433470837 /nfs/dbraw/zinc/47/08/37/1433470837.db2.gz SKSNMMVLKXFKHT-ZEQRLZLVSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@@H](C[NH+](C)CC)C3)c2)C1 ZINC000245455104 1433470838 /nfs/dbraw/zinc/47/08/38/1433470838.db2.gz SKSNMMVLKXFKHT-ZEQRLZLVSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](C[NH+](C)CC)C3)c2)C1 ZINC000245455104 1433470839 /nfs/dbraw/zinc/47/08/39/1433470839.db2.gz SKSNMMVLKXFKHT-ZEQRLZLVSA-N 4 2 386.628 3.234 20 0 GGADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000245457850 1433471883 /nfs/dbraw/zinc/47/18/83/1433471883.db2.gz UOINFBCMCXFHHF-DENIHFKCSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000245457850 1433471886 /nfs/dbraw/zinc/47/18/86/1433471886.db2.gz UOINFBCMCXFHHF-DENIHFKCSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000245457850 1433471889 /nfs/dbraw/zinc/47/18/89/1433471889.db2.gz UOINFBCMCXFHHF-DENIHFKCSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000245457850 1433471893 /nfs/dbraw/zinc/47/18/93/1433471893.db2.gz UOINFBCMCXFHHF-DENIHFKCSA-N 2 2 395.547 3.154 20 0 GGADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245467183 1433473775 /nfs/dbraw/zinc/47/37/75/1433473775.db2.gz ZJXZKUYHAZIFDN-RBBKRZOGSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245467183 1433473779 /nfs/dbraw/zinc/47/37/79/1433473779.db2.gz ZJXZKUYHAZIFDN-RBBKRZOGSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245467183 1433473782 /nfs/dbraw/zinc/47/37/82/1433473782.db2.gz ZJXZKUYHAZIFDN-RBBKRZOGSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245467183 1433473786 /nfs/dbraw/zinc/47/37/86/1433473786.db2.gz ZJXZKUYHAZIFDN-RBBKRZOGSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)c3cccnc3)CC2)cc1 ZINC000245526656 1433481419 /nfs/dbraw/zinc/48/14/19/1433481419.db2.gz CEWSBENCMZWMSZ-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)c3cccnc3)CC2)cc1 ZINC000245526656 1433481420 /nfs/dbraw/zinc/48/14/20/1433481420.db2.gz CEWSBENCMZWMSZ-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3cccnc3)CC2)cc1 ZINC000245526656 1433481423 /nfs/dbraw/zinc/48/14/23/1433481423.db2.gz CEWSBENCMZWMSZ-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3cccnc3)CC2)cc1 ZINC000245526656 1433481425 /nfs/dbraw/zinc/48/14/25/1433481425.db2.gz CEWSBENCMZWMSZ-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245567053 1433486477 /nfs/dbraw/zinc/48/64/77/1433486477.db2.gz RTDLSDWTYQOKSI-BVGQSLNGSA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245567053 1433486482 /nfs/dbraw/zinc/48/64/82/1433486482.db2.gz RTDLSDWTYQOKSI-BVGQSLNGSA-N 2 2 376.863 3.364 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000245574352 1433487157 /nfs/dbraw/zinc/48/71/57/1433487157.db2.gz HIUNLXJFGXAHPU-AYBZRNKSSA-N 2 2 383.496 3.120 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000245574352 1433487158 /nfs/dbraw/zinc/48/71/58/1433487158.db2.gz HIUNLXJFGXAHPU-AYBZRNKSSA-N 2 2 383.496 3.120 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000245610540 1433490646 /nfs/dbraw/zinc/49/06/46/1433490646.db2.gz SPTJPUFGAFFJON-OFAXGOBFSA-N 2 2 376.504 3.158 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000245617414 1433491568 /nfs/dbraw/zinc/49/15/68/1433491568.db2.gz VRHOJZPSBIEEPI-MAUKXSAKSA-N 2 2 376.451 3.121 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000245617414 1433491573 /nfs/dbraw/zinc/49/15/73/1433491573.db2.gz VRHOJZPSBIEEPI-MAUKXSAKSA-N 2 2 376.451 3.121 20 0 GGADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245621470 1433491944 /nfs/dbraw/zinc/49/19/44/1433491944.db2.gz BAJMUHJTNZRNEO-BEVDRBHNSA-N 2 2 390.572 3.191 20 0 GGADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245621470 1433491946 /nfs/dbraw/zinc/49/19/46/1433491946.db2.gz BAJMUHJTNZRNEO-BEVDRBHNSA-N 2 2 390.572 3.191 20 0 GGADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000245623393 1433492337 /nfs/dbraw/zinc/49/23/37/1433492337.db2.gz BPAOAQGUOKJSIT-RTBURBONSA-N 2 2 390.597 3.213 20 0 GGADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000245623393 1433492345 /nfs/dbraw/zinc/49/23/45/1433492345.db2.gz BPAOAQGUOKJSIT-RTBURBONSA-N 2 2 390.597 3.213 20 0 GGADLP CN(C(=O)CSC(F)(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245627885 1433492869 /nfs/dbraw/zinc/49/28/69/1433492869.db2.gz CVJCRZVZFIKDCK-LSDHHAIUSA-N 2 2 381.508 3.035 20 0 GGADLP CN(C(=O)CSC(F)(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245627885 1433492872 /nfs/dbraw/zinc/49/28/72/1433492872.db2.gz CVJCRZVZFIKDCK-LSDHHAIUSA-N 2 2 381.508 3.035 20 0 GGADLP CN(C(=O)COC1CCCCC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245631029 1433493113 /nfs/dbraw/zinc/49/31/13/1433493113.db2.gz DLARWLCDQUQVDJ-LEWJYISDSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)COC1CCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245631029 1433493116 /nfs/dbraw/zinc/49/31/16/1433493116.db2.gz DLARWLCDQUQVDJ-LEWJYISDSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)c1csc(C2CC2)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245632043 1433493460 /nfs/dbraw/zinc/49/34/60/1433493460.db2.gz DQEKFDRORRFPPA-RBUKOAKNSA-N 2 2 390.597 3.430 20 0 GGADLP CN(C(=O)c1csc(C2CC2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245632043 1433493461 /nfs/dbraw/zinc/49/34/61/1433493461.db2.gz DQEKFDRORRFPPA-RBUKOAKNSA-N 2 2 390.597 3.430 20 0 GGADLP C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000245672207 1433497758 /nfs/dbraw/zinc/49/77/58/1433497758.db2.gz SHCXSYZQOSHZEW-FCHUYYIVSA-N 2 2 389.503 3.176 20 0 GGADLP C[N@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000245672207 1433497760 /nfs/dbraw/zinc/49/77/60/1433497760.db2.gz SHCXSYZQOSHZEW-FCHUYYIVSA-N 2 2 389.503 3.176 20 0 GGADLP CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245675921 1433497961 /nfs/dbraw/zinc/49/79/61/1433497961.db2.gz FZFCFTMMMGZZJW-VQTJNVASSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245675921 1433497963 /nfs/dbraw/zinc/49/79/63/1433497963.db2.gz FZFCFTMMMGZZJW-VQTJNVASSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245676847 1433498180 /nfs/dbraw/zinc/49/81/80/1433498180.db2.gz GGZOLSDRGIUZNO-FGZHOGPDSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245676847 1433498182 /nfs/dbraw/zinc/49/81/82/1433498182.db2.gz GGZOLSDRGIUZNO-FGZHOGPDSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)Cc1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245679369 1433498267 /nfs/dbraw/zinc/49/82/67/1433498267.db2.gz GTULIIPUDLPHDH-NHCUHLMSSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245679369 1433498271 /nfs/dbraw/zinc/49/82/71/1433498271.db2.gz GTULIIPUDLPHDH-NHCUHLMSSA-N 2 2 375.532 3.164 20 0 GGADLP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245688850 1433500136 /nfs/dbraw/zinc/50/01/36/1433500136.db2.gz JDKXATYMYNCNHU-WLRLJWMZSA-N 2 2 379.589 3.130 20 0 GGADLP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245688850 1433500138 /nfs/dbraw/zinc/50/01/38/1433500138.db2.gz JDKXATYMYNCNHU-WLRLJWMZSA-N 2 2 379.589 3.130 20 0 GGADLP C[C@H](Oc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245702382 1433502652 /nfs/dbraw/zinc/50/26/52/1433502652.db2.gz LOXQYFNIUOOLTE-VLCRHTCISA-N 2 2 387.568 3.250 20 0 GGADLP C[C@H](Oc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245702382 1433502657 /nfs/dbraw/zinc/50/26/57/1433502657.db2.gz LOXQYFNIUOOLTE-VLCRHTCISA-N 2 2 387.568 3.250 20 0 GGADLP CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245702412 1433502661 /nfs/dbraw/zinc/50/26/61/1433502661.db2.gz LPQPHHXOKKXAOW-NHCUHLMSSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245702412 1433502662 /nfs/dbraw/zinc/50/26/62/1433502662.db2.gz LPQPHHXOKKXAOW-NHCUHLMSSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)[C@@H]1OCCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245743451 1433509913 /nfs/dbraw/zinc/50/99/13/1433509913.db2.gz VUAOMQPPLVKQIR-XPWALMASSA-N 2 2 399.579 3.096 20 0 GGADLP CN(C(=O)[C@@H]1OCCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245743451 1433509914 /nfs/dbraw/zinc/50/99/14/1433509914.db2.gz VUAOMQPPLVKQIR-XPWALMASSA-N 2 2 399.579 3.096 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245919582 1433543075 /nfs/dbraw/zinc/54/30/75/1433543075.db2.gz SJPKRXJKVBTVBD-KGLIPLIRSA-N 2 2 378.879 3.494 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245919582 1433543076 /nfs/dbraw/zinc/54/30/76/1433543076.db2.gz SJPKRXJKVBTVBD-KGLIPLIRSA-N 2 2 378.879 3.494 20 0 GGADLP C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245925748 1433544803 /nfs/dbraw/zinc/54/48/03/1433544803.db2.gz YWTPLSAPLHEKSN-BQFCYCMXSA-N 2 2 387.474 3.395 20 0 GGADLP C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245925748 1433544812 /nfs/dbraw/zinc/54/48/12/1433544812.db2.gz YWTPLSAPLHEKSN-BQFCYCMXSA-N 2 2 387.474 3.395 20 0 GGADLP C[N@@H+]1CCO[C@H]([C@@H](NC2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)C1 ZINC000246028017 1433559494 /nfs/dbraw/zinc/55/94/94/1433559494.db2.gz LJZJVDGQZNOJLB-SFTDATJTSA-N 2 2 377.960 3.176 20 0 GGADLP C[N@H+]1CCO[C@H]([C@@H](NC2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)C1 ZINC000246028017 1433559497 /nfs/dbraw/zinc/55/94/97/1433559497.db2.gz LJZJVDGQZNOJLB-SFTDATJTSA-N 2 2 377.960 3.176 20 0 GGADLP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000246065461 1433564041 /nfs/dbraw/zinc/56/40/41/1433564041.db2.gz HMWSLSDJWCZCBU-UYAOXDASSA-N 2 2 383.540 3.180 20 0 GGADLP CN(C(=O)NC(C1CC1)C1CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246086436 1433566407 /nfs/dbraw/zinc/56/64/07/1433566407.db2.gz CGAXPAYNMLXHEF-WOJBJXKFSA-N 2 2 376.589 3.154 20 0 GGADLP CN(C(=O)NC(C1CC1)C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246086436 1433566412 /nfs/dbraw/zinc/56/64/12/1433566412.db2.gz CGAXPAYNMLXHEF-WOJBJXKFSA-N 2 2 376.589 3.154 20 0 GGADLP CN(C(=O)NCC1(C2CC2)CC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246087589 1433566459 /nfs/dbraw/zinc/56/64/59/1433566459.db2.gz CGRWZZIVMGKMSK-WOJBJXKFSA-N 2 2 376.589 3.155 20 0 GGADLP CN(C(=O)NCC1(C2CC2)CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246087589 1433566462 /nfs/dbraw/zinc/56/64/62/1433566462.db2.gz CGRWZZIVMGKMSK-WOJBJXKFSA-N 2 2 376.589 3.155 20 0 GGADLP CN(C(=O)NC[C@H]1Cc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246192728 1433580243 /nfs/dbraw/zinc/58/02/43/1433580243.db2.gz DLRMKMGHLKXBCL-UEVCKROQSA-N 2 2 398.595 3.305 20 0 GGADLP CN(C(=O)NC[C@H]1Cc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246192728 1433580245 /nfs/dbraw/zinc/58/02/45/1433580245.db2.gz DLRMKMGHLKXBCL-UEVCKROQSA-N 2 2 398.595 3.305 20 0 GGADLP CN(C(=O)NC[C@H]1Cc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246192708 1433580381 /nfs/dbraw/zinc/58/03/81/1433580381.db2.gz DLRMKMGHLKXBCL-PTUXOGIPSA-N 2 2 398.595 3.305 20 0 GGADLP CN(C(=O)NC[C@H]1Cc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246192708 1433580383 /nfs/dbraw/zinc/58/03/83/1433580383.db2.gz DLRMKMGHLKXBCL-PTUXOGIPSA-N 2 2 398.595 3.305 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccsc1 ZINC000246203211 1433581290 /nfs/dbraw/zinc/58/12/90/1433581290.db2.gz VQTGMAWDPXXBHO-AEFFLSMTSA-N 2 2 389.569 3.242 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246209102 1433582222 /nfs/dbraw/zinc/58/22/22/1433582222.db2.gz XPIFMUMGCCZATQ-MOPGFXCFSA-N 2 2 389.609 3.465 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000246209102 1433582224 /nfs/dbraw/zinc/58/22/24/1433582224.db2.gz XPIFMUMGCCZATQ-MOPGFXCFSA-N 2 2 389.609 3.465 20 0 GGADLP CCC[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246245035 1433585846 /nfs/dbraw/zinc/58/58/46/1433585846.db2.gz GLUKDAZBHHNPIS-DFQSSKMNSA-N 2 2 387.634 3.021 20 0 GGADLP CCC[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246245035 1433585848 /nfs/dbraw/zinc/58/58/48/1433585848.db2.gz GLUKDAZBHHNPIS-DFQSSKMNSA-N 2 2 387.634 3.021 20 0 GGADLP CCC(CC)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246245213 1433585930 /nfs/dbraw/zinc/58/59/30/1433585930.db2.gz GMUMOPIPIBCXEG-UXHICEINSA-N 2 2 387.634 3.021 20 0 GGADLP CCC(CC)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246245213 1433585933 /nfs/dbraw/zinc/58/59/33/1433585933.db2.gz GMUMOPIPIBCXEG-UXHICEINSA-N 2 2 387.634 3.021 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000246248014 1433586282 /nfs/dbraw/zinc/58/62/82/1433586282.db2.gz DYEHPBFPCWLBGM-GDBMZVCRSA-N 2 2 399.366 3.032 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000246248014 1433586283 /nfs/dbraw/zinc/58/62/83/1433586283.db2.gz DYEHPBFPCWLBGM-GDBMZVCRSA-N 2 2 399.366 3.032 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2c1 ZINC000246336885 1433596759 /nfs/dbraw/zinc/59/67/59/1433596759.db2.gz HILMNUGJSHNVTI-HKUYNNGSSA-N 2 2 383.536 3.079 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2c1 ZINC000246336885 1433596762 /nfs/dbraw/zinc/59/67/62/1433596762.db2.gz HILMNUGJSHNVTI-HKUYNNGSSA-N 2 2 383.536 3.079 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246408695 1433608287 /nfs/dbraw/zinc/60/82/87/1433608287.db2.gz BKNKEWBIGMYYQJ-CEQIKUNHSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246408695 1433608294 /nfs/dbraw/zinc/60/82/94/1433608294.db2.gz BKNKEWBIGMYYQJ-CEQIKUNHSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246408695 1433608300 /nfs/dbraw/zinc/60/83/00/1433608300.db2.gz BKNKEWBIGMYYQJ-CEQIKUNHSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246408695 1433608305 /nfs/dbraw/zinc/60/83/05/1433608305.db2.gz BKNKEWBIGMYYQJ-CEQIKUNHSA-N 2 2 391.506 3.433 20 0 GGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000246433838 1433612205 /nfs/dbraw/zinc/61/22/05/1433612205.db2.gz OCGKZLQNZSHSSD-OTWHNJEPSA-N 2 2 375.561 3.086 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)[C@H](C)C1 ZINC000246436809 1433612624 /nfs/dbraw/zinc/61/26/24/1433612624.db2.gz OGIJAMJHJOAYFX-NEWSRXKRSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)[C@H](C)C1 ZINC000246436809 1433612628 /nfs/dbraw/zinc/61/26/28/1433612628.db2.gz OGIJAMJHJOAYFX-NEWSRXKRSA-N 2 2 393.959 3.172 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246471267 1433617817 /nfs/dbraw/zinc/61/78/17/1433617817.db2.gz QBPFXVOTNKYKCB-FPOVZHCZSA-N 2 2 389.609 3.261 20 0 GGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246471267 1433617818 /nfs/dbraw/zinc/61/78/18/1433617818.db2.gz QBPFXVOTNKYKCB-FPOVZHCZSA-N 2 2 389.609 3.261 20 0 GGADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000246471416 1433617824 /nfs/dbraw/zinc/61/78/24/1433617824.db2.gz QNKAMZCZEIUQDG-GBESFXJTSA-N 2 2 375.561 3.086 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506487 1433622901 /nfs/dbraw/zinc/62/29/01/1433622901.db2.gz HYCFTHPCJIKVHB-OXFYSEKESA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506487 1433622902 /nfs/dbraw/zinc/62/29/02/1433622902.db2.gz HYCFTHPCJIKVHB-OXFYSEKESA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246506487 1433622903 /nfs/dbraw/zinc/62/29/03/1433622903.db2.gz HYCFTHPCJIKVHB-OXFYSEKESA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246506487 1433622904 /nfs/dbraw/zinc/62/29/04/1433622904.db2.gz HYCFTHPCJIKVHB-OXFYSEKESA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246506480 1433622962 /nfs/dbraw/zinc/62/29/62/1433622962.db2.gz HYCFTHPCJIKVHB-MDYRTPRTSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246506480 1433622966 /nfs/dbraw/zinc/62/29/66/1433622966.db2.gz HYCFTHPCJIKVHB-MDYRTPRTSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246506480 1433622969 /nfs/dbraw/zinc/62/29/69/1433622969.db2.gz HYCFTHPCJIKVHB-MDYRTPRTSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246506480 1433622974 /nfs/dbraw/zinc/62/29/74/1433622974.db2.gz HYCFTHPCJIKVHB-MDYRTPRTSA-N 2 2 375.944 3.293 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246518660 1433624344 /nfs/dbraw/zinc/62/43/44/1433624344.db2.gz VHVBKKRYOUCZKT-IAGOWNOFSA-N 2 2 380.536 3.215 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246518660 1433624346 /nfs/dbraw/zinc/62/43/46/1433624346.db2.gz VHVBKKRYOUCZKT-IAGOWNOFSA-N 2 2 380.536 3.215 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C)C1 ZINC000246538564 1433627708 /nfs/dbraw/zinc/62/77/08/1433627708.db2.gz VVMPDEIRSNANOH-VDGAXYAQSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C)C1 ZINC000246538564 1433627709 /nfs/dbraw/zinc/62/77/09/1433627709.db2.gz VVMPDEIRSNANOH-VDGAXYAQSA-N 2 2 393.959 3.172 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246542532 1433628057 /nfs/dbraw/zinc/62/80/57/1433628057.db2.gz ATRCQXTYWWDXLM-SOLBZPMBSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246542532 1433628060 /nfs/dbraw/zinc/62/80/60/1433628060.db2.gz ATRCQXTYWWDXLM-SOLBZPMBSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246542532 1433628062 /nfs/dbraw/zinc/62/80/62/1433628062.db2.gz ATRCQXTYWWDXLM-SOLBZPMBSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246542532 1433628064 /nfs/dbraw/zinc/62/80/64/1433628064.db2.gz ATRCQXTYWWDXLM-SOLBZPMBSA-N 2 2 386.565 3.059 20 0 GGADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000246563933 1433631823 /nfs/dbraw/zinc/63/18/23/1433631823.db2.gz LCJFALFAYAEBEF-CVDCTZTESA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000246563933 1433631830 /nfs/dbraw/zinc/63/18/30/1433631830.db2.gz LCJFALFAYAEBEF-CVDCTZTESA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246563933 1433631834 /nfs/dbraw/zinc/63/18/34/1433631834.db2.gz LCJFALFAYAEBEF-CVDCTZTESA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246563933 1433631840 /nfs/dbraw/zinc/63/18/40/1433631840.db2.gz LCJFALFAYAEBEF-CVDCTZTESA-N 2 2 397.563 3.135 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000246807740 1433671359 /nfs/dbraw/zinc/67/13/59/1433671359.db2.gz PTWQMASBXSPTSW-JQHSSLGASA-N 2 2 393.601 3.183 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000246807740 1433671366 /nfs/dbraw/zinc/67/13/66/1433671366.db2.gz PTWQMASBXSPTSW-JQHSSLGASA-N 2 2 393.601 3.183 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815794 1433673009 /nfs/dbraw/zinc/67/30/09/1433673009.db2.gz NMRHFGLPCHPUDG-VYZYDHRKSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815794 1433673015 /nfs/dbraw/zinc/67/30/15/1433673015.db2.gz NMRHFGLPCHPUDG-VYZYDHRKSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246815794 1433673019 /nfs/dbraw/zinc/67/30/19/1433673019.db2.gz NMRHFGLPCHPUDG-VYZYDHRKSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246815794 1433673024 /nfs/dbraw/zinc/67/30/24/1433673024.db2.gz NMRHFGLPCHPUDG-VYZYDHRKSA-N 2 2 385.596 3.409 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246928247 1433688333 /nfs/dbraw/zinc/68/83/33/1433688333.db2.gz SWCXDYAQNMSNHJ-NTLWEQJWSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246928247 1433688334 /nfs/dbraw/zinc/68/83/34/1433688334.db2.gz SWCXDYAQNMSNHJ-NTLWEQJWSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246928247 1433688335 /nfs/dbraw/zinc/68/83/35/1433688335.db2.gz SWCXDYAQNMSNHJ-NTLWEQJWSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246928247 1433688336 /nfs/dbraw/zinc/68/83/36/1433688336.db2.gz SWCXDYAQNMSNHJ-NTLWEQJWSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246928287 1433688373 /nfs/dbraw/zinc/68/83/73/1433688373.db2.gz SWCXDYAQNMSNHJ-UGNRZPKXSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246928287 1433688377 /nfs/dbraw/zinc/68/83/77/1433688377.db2.gz SWCXDYAQNMSNHJ-UGNRZPKXSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246928287 1433688379 /nfs/dbraw/zinc/68/83/79/1433688379.db2.gz SWCXDYAQNMSNHJ-UGNRZPKXSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246928287 1433688383 /nfs/dbraw/zinc/68/83/83/1433688383.db2.gz SWCXDYAQNMSNHJ-UGNRZPKXSA-N 2 2 385.552 3.210 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000247192601 1433689817 /nfs/dbraw/zinc/68/98/17/1433689817.db2.gz VTZCKKHQVTYFPD-WMZHIEFXSA-N 2 2 375.520 3.310 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000247192601 1433689820 /nfs/dbraw/zinc/68/98/20/1433689820.db2.gz VTZCKKHQVTYFPD-WMZHIEFXSA-N 2 2 375.520 3.310 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000247192594 1433690084 /nfs/dbraw/zinc/69/00/84/1433690084.db2.gz VTZCKKHQVTYFPD-AUSIDOKSSA-N 2 2 375.520 3.310 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000247192594 1433690093 /nfs/dbraw/zinc/69/00/93/1433690093.db2.gz VTZCKKHQVTYFPD-AUSIDOKSSA-N 2 2 375.520 3.310 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000247225048 1433693139 /nfs/dbraw/zinc/69/31/39/1433693139.db2.gz XXPXONJRUUNKCO-WMZHIEFXSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000247225048 1433693143 /nfs/dbraw/zinc/69/31/43/1433693143.db2.gz XXPXONJRUUNKCO-WMZHIEFXSA-N 2 2 392.547 3.204 20 0 GGADLP CN(C(=O)NCc1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247225208 1433693275 /nfs/dbraw/zinc/69/32/75/1433693275.db2.gz ZDRQDXGGJFHPSJ-RBUKOAKNSA-N 2 2 378.586 3.227 20 0 GGADLP CN(C(=O)NCc1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247225208 1433693278 /nfs/dbraw/zinc/69/32/78/1433693278.db2.gz ZDRQDXGGJFHPSJ-RBUKOAKNSA-N 2 2 378.586 3.227 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247236332 1433694793 /nfs/dbraw/zinc/69/47/93/1433694793.db2.gz YUDHCMFHWKPOFC-AZUAARDMSA-N 2 2 382.552 3.165 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247236332 1433694797 /nfs/dbraw/zinc/69/47/97/1433694797.db2.gz YUDHCMFHWKPOFC-AZUAARDMSA-N 2 2 382.552 3.165 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000247358388 1433712633 /nfs/dbraw/zinc/71/26/33/1433712633.db2.gz QCEFAQSAYCALQM-YLJYHZDGSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000247358388 1433712642 /nfs/dbraw/zinc/71/26/42/1433712642.db2.gz QCEFAQSAYCALQM-YLJYHZDGSA-N 2 2 388.556 3.281 20 0 GGADLP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)Cc1ccccc1 ZINC000247407223 1433717940 /nfs/dbraw/zinc/71/79/40/1433717940.db2.gz YEUYZNQRQGDYLC-RTWAWAEBSA-N 2 2 397.567 3.050 20 0 GGADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000247529217 1433733949 /nfs/dbraw/zinc/73/39/49/1433733949.db2.gz OUJFPJOFRIKCIB-GIVPXCGWSA-N 2 2 381.524 3.285 20 0 GGADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000247529217 1433733950 /nfs/dbraw/zinc/73/39/50/1433733950.db2.gz OUJFPJOFRIKCIB-GIVPXCGWSA-N 2 2 381.524 3.285 20 0 GGADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000247536605 1433734388 /nfs/dbraw/zinc/73/43/88/1433734388.db2.gz PSKRVCFEZQNVRY-YHELAOLJSA-N 2 2 381.524 3.284 20 0 GGADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](c2ccco2)C1 ZINC000247547419 1433736189 /nfs/dbraw/zinc/73/61/89/1433736189.db2.gz POZZSLFMWABUAK-RTBURBONSA-N 2 2 382.508 3.187 20 0 GGADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](c2ccco2)C1 ZINC000247547419 1433736194 /nfs/dbraw/zinc/73/61/94/1433736194.db2.gz POZZSLFMWABUAK-RTBURBONSA-N 2 2 382.508 3.187 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247576252 1433738711 /nfs/dbraw/zinc/73/87/11/1433738711.db2.gz HUVASWQMGPUXSL-LMMKCTJWSA-N 2 2 382.508 3.111 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247576252 1433738716 /nfs/dbraw/zinc/73/87/16/1433738716.db2.gz HUVASWQMGPUXSL-LMMKCTJWSA-N 2 2 382.508 3.111 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000247577485 1433738802 /nfs/dbraw/zinc/73/88/02/1433738802.db2.gz SKPNHAKSPVYAAZ-FYYLOGMGSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000247577485 1433738807 /nfs/dbraw/zinc/73/88/07/1433738807.db2.gz SKPNHAKSPVYAAZ-FYYLOGMGSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000247577485 1433738811 /nfs/dbraw/zinc/73/88/11/1433738811.db2.gz SKPNHAKSPVYAAZ-FYYLOGMGSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000247577485 1433738817 /nfs/dbraw/zinc/73/88/17/1433738817.db2.gz SKPNHAKSPVYAAZ-FYYLOGMGSA-N 2 2 396.531 3.083 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000247642690 1433742243 /nfs/dbraw/zinc/74/22/43/1433742243.db2.gz OPMOOLUFWGBDKY-NRSPTQNISA-N 2 2 381.524 3.313 20 0 GGADLP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648637 1433742733 /nfs/dbraw/zinc/74/27/33/1433742733.db2.gz VUZTUCKBSAZLAR-YJBOKZPZSA-N 2 2 396.938 3.085 20 0 GGADLP C[N@H+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648637 1433742741 /nfs/dbraw/zinc/74/27/41/1433742741.db2.gz VUZTUCKBSAZLAR-YJBOKZPZSA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648637 1433742749 /nfs/dbraw/zinc/74/27/49/1433742749.db2.gz VUZTUCKBSAZLAR-YJBOKZPZSA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648637 1433742757 /nfs/dbraw/zinc/74/27/57/1433742757.db2.gz VUZTUCKBSAZLAR-YJBOKZPZSA-N 2 2 396.938 3.085 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)o1 ZINC000247652907 1433743206 /nfs/dbraw/zinc/74/32/06/1433743206.db2.gz PJKUTOPQXATJND-WDSOQIARSA-N 2 2 385.512 3.214 20 0 GGADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000247657262 1433744167 /nfs/dbraw/zinc/74/41/67/1433744167.db2.gz XHQKXUZITUKYKA-QMMLZNLJSA-N 2 2 381.524 3.143 20 0 GGADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000247657262 1433744171 /nfs/dbraw/zinc/74/41/71/1433744171.db2.gz XHQKXUZITUKYKA-QMMLZNLJSA-N 2 2 381.524 3.143 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000247669885 1433745647 /nfs/dbraw/zinc/74/56/47/1433745647.db2.gz QTGYQTQFCAWQAZ-KURKYZTESA-N 2 2 387.553 3.374 20 0 GGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000247735314 1433748274 /nfs/dbraw/zinc/74/82/74/1433748274.db2.gz MRYDIFNUQIZNNE-AEFFLSMTSA-N 2 2 398.507 3.271 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247772874 1433750092 /nfs/dbraw/zinc/75/00/92/1433750092.db2.gz WIUZJIXFUBBLRH-IJEWVQPXSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247772874 1433750095 /nfs/dbraw/zinc/75/00/95/1433750095.db2.gz WIUZJIXFUBBLRH-IJEWVQPXSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931285 1433757082 /nfs/dbraw/zinc/75/70/82/1433757082.db2.gz CBJUBXPGAHUACI-ZVZYQTTQSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931285 1433757088 /nfs/dbraw/zinc/75/70/88/1433757088.db2.gz CBJUBXPGAHUACI-ZVZYQTTQSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931285 1433757093 /nfs/dbraw/zinc/75/70/93/1433757093.db2.gz CBJUBXPGAHUACI-ZVZYQTTQSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931285 1433757100 /nfs/dbraw/zinc/75/71/00/1433757100.db2.gz CBJUBXPGAHUACI-ZVZYQTTQSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247994724 1433762166 /nfs/dbraw/zinc/76/21/66/1433762166.db2.gz JUBUDKGGWQJJPE-VCBZYWHSSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247994724 1433762173 /nfs/dbraw/zinc/76/21/73/1433762173.db2.gz JUBUDKGGWQJJPE-VCBZYWHSSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247994724 1433762178 /nfs/dbraw/zinc/76/21/78/1433762178.db2.gz JUBUDKGGWQJJPE-VCBZYWHSSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247994724 1433762182 /nfs/dbraw/zinc/76/21/82/1433762182.db2.gz JUBUDKGGWQJJPE-VCBZYWHSSA-N 2 2 381.923 3.242 20 0 GGADLP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248293733 1433784771 /nfs/dbraw/zinc/78/47/71/1433784771.db2.gz VKLBMQUIXPRNHY-WOIUINJBSA-N 2 2 387.568 3.397 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000248388802 1433793277 /nfs/dbraw/zinc/79/32/77/1433793277.db2.gz RNPIPXAITBCVMI-DYESRHJHSA-N 2 2 380.492 3.038 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000248388802 1433793286 /nfs/dbraw/zinc/79/32/86/1433793286.db2.gz RNPIPXAITBCVMI-DYESRHJHSA-N 2 2 380.492 3.038 20 0 GGADLP CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000248403777 1433798947 /nfs/dbraw/zinc/79/89/47/1433798947.db2.gz YYMWFMSQUGBVIE-SJLPKXTDSA-N 2 2 388.581 3.426 20 0 GGADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000248403777 1433798954 /nfs/dbraw/zinc/79/89/54/1433798954.db2.gz YYMWFMSQUGBVIE-SJLPKXTDSA-N 2 2 388.581 3.426 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000248409342 1433800221 /nfs/dbraw/zinc/80/02/21/1433800221.db2.gz WQFGYWJNYCEXNG-ZVDOUQERSA-N 2 2 399.583 3.123 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000248409342 1433800222 /nfs/dbraw/zinc/80/02/22/1433800222.db2.gz WQFGYWJNYCEXNG-ZVDOUQERSA-N 2 2 399.583 3.123 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248453047 1433803905 /nfs/dbraw/zinc/80/39/05/1433803905.db2.gz QGLUALXMFYLDRM-FDDCHVKYSA-N 3 2 376.504 3.290 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000248453047 1433803907 /nfs/dbraw/zinc/80/39/07/1433803907.db2.gz QGLUALXMFYLDRM-FDDCHVKYSA-N 3 2 376.504 3.290 20 0 GGADLP CCC[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000248572068 1433809191 /nfs/dbraw/zinc/80/91/91/1433809191.db2.gz ONCMWFWOZDCAOF-NMIHRBCNSA-N 2 2 393.616 3.377 20 0 GGADLP CCC[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000248572068 1433809194 /nfs/dbraw/zinc/80/91/94/1433809194.db2.gz ONCMWFWOZDCAOF-NMIHRBCNSA-N 2 2 393.616 3.377 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000248641754 1433813190 /nfs/dbraw/zinc/81/31/90/1433813190.db2.gz OLLVLTRMTBPYHX-IUCCBLBSSA-N 2 2 380.536 3.107 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000248641754 1433813191 /nfs/dbraw/zinc/81/31/91/1433813191.db2.gz OLLVLTRMTBPYHX-IUCCBLBSSA-N 2 2 380.536 3.107 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000248701874 1433816047 /nfs/dbraw/zinc/81/60/47/1433816047.db2.gz AHNFEGCAVDEDTL-KNQAVFIVSA-N 2 2 392.547 3.243 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000248701874 1433816048 /nfs/dbraw/zinc/81/60/48/1433816048.db2.gz AHNFEGCAVDEDTL-KNQAVFIVSA-N 2 2 392.547 3.243 20 0 GGADLP CC[C@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000248731326 1433818317 /nfs/dbraw/zinc/81/83/17/1433818317.db2.gz MPFZLCAZDOSRFF-RXVVDRJESA-N 2 2 383.540 3.134 20 0 GGADLP CC[C@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000248731326 1433818318 /nfs/dbraw/zinc/81/83/18/1433818318.db2.gz MPFZLCAZDOSRFF-RXVVDRJESA-N 2 2 383.540 3.134 20 0 GGADLP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000248737467 1433818750 /nfs/dbraw/zinc/81/87/50/1433818750.db2.gz PMIHUPKQLCUJAT-VQIMIIECSA-N 2 2 391.968 3.300 20 0 GGADLP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000248737467 1433818753 /nfs/dbraw/zinc/81/87/53/1433818753.db2.gz PMIHUPKQLCUJAT-VQIMIIECSA-N 2 2 391.968 3.300 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248834519 1433825039 /nfs/dbraw/zinc/82/50/39/1433825039.db2.gz MZCDMOIAPZNHEQ-TZIWHRDSSA-N 2 2 397.567 3.388 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248834519 1433825041 /nfs/dbraw/zinc/82/50/41/1433825041.db2.gz MZCDMOIAPZNHEQ-TZIWHRDSSA-N 2 2 397.567 3.388 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248834513 1433825049 /nfs/dbraw/zinc/82/50/49/1433825049.db2.gz MZCDMOIAPZNHEQ-CTNGQTDRSA-N 2 2 397.567 3.388 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248834513 1433825050 /nfs/dbraw/zinc/82/50/50/1433825050.db2.gz MZCDMOIAPZNHEQ-CTNGQTDRSA-N 2 2 397.567 3.388 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000248929984 1433829659 /nfs/dbraw/zinc/82/96/59/1433829659.db2.gz XRBWVNBMRXBBTI-XMSQKQJNSA-N 2 2 389.503 3.192 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000248929984 1433829663 /nfs/dbraw/zinc/82/96/63/1433829663.db2.gz XRBWVNBMRXBBTI-XMSQKQJNSA-N 2 2 389.503 3.192 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249169534 1433838023 /nfs/dbraw/zinc/83/80/23/1433838023.db2.gz ALRHVJQFVFFGFA-LEWJYISDSA-N 2 2 386.584 3.065 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249169534 1433838024 /nfs/dbraw/zinc/83/80/24/1433838024.db2.gz ALRHVJQFVFFGFA-LEWJYISDSA-N 2 2 386.584 3.065 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249169536 1433838043 /nfs/dbraw/zinc/83/80/43/1433838043.db2.gz ALRHVJQFVFFGFA-SFTDATJTSA-N 2 2 386.584 3.065 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249169536 1433838044 /nfs/dbraw/zinc/83/80/44/1433838044.db2.gz ALRHVJQFVFFGFA-SFTDATJTSA-N 2 2 386.584 3.065 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000249200141 1433838770 /nfs/dbraw/zinc/83/87/70/1433838770.db2.gz SQSMQSVPAVYJEC-VQIMIIECSA-N 2 2 384.490 3.156 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000249200141 1433838773 /nfs/dbraw/zinc/83/87/73/1433838773.db2.gz SQSMQSVPAVYJEC-VQIMIIECSA-N 2 2 384.490 3.156 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273498 1433839955 /nfs/dbraw/zinc/83/99/55/1433839955.db2.gz JLWKIEGXVYNMBR-UZLBHIALSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273498 1433839956 /nfs/dbraw/zinc/83/99/56/1433839956.db2.gz JLWKIEGXVYNMBR-UZLBHIALSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273498 1433839957 /nfs/dbraw/zinc/83/99/57/1433839957.db2.gz JLWKIEGXVYNMBR-UZLBHIALSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273498 1433839958 /nfs/dbraw/zinc/83/99/58/1433839958.db2.gz JLWKIEGXVYNMBR-UZLBHIALSA-N 2 2 379.495 3.120 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2SC)[C@H](C)C1 ZINC000249289159 1433840499 /nfs/dbraw/zinc/84/04/99/1433840499.db2.gz MCWAGLMFBCLCJE-KURKYZTESA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2SC)[C@H](C)C1 ZINC000249289159 1433840500 /nfs/dbraw/zinc/84/05/00/1433840500.db2.gz MCWAGLMFBCLCJE-KURKYZTESA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000249300552 1433840734 /nfs/dbraw/zinc/84/07/34/1433840734.db2.gz NNBUOILNTTVQOD-HNAYVOBHSA-N 2 2 382.932 3.353 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000249300552 1433840735 /nfs/dbraw/zinc/84/07/35/1433840735.db2.gz NNBUOILNTTVQOD-HNAYVOBHSA-N 2 2 382.932 3.353 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)[C@@H](C)C1 ZINC000249417747 1433843314 /nfs/dbraw/zinc/84/33/14/1433843314.db2.gz GTNXONPSPNRCAH-DAYGRLMNSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)[C@@H](C)C1 ZINC000249417747 1433843315 /nfs/dbraw/zinc/84/33/15/1433843315.db2.gz GTNXONPSPNRCAH-DAYGRLMNSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000249420368 1433843445 /nfs/dbraw/zinc/84/34/45/1433843445.db2.gz HLCZRKSNUOTFFX-GJZGRUSLSA-N 2 2 391.541 3.078 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000249420368 1433843446 /nfs/dbraw/zinc/84/34/46/1433843446.db2.gz HLCZRKSNUOTFFX-GJZGRUSLSA-N 2 2 391.541 3.078 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000249420370 1433843529 /nfs/dbraw/zinc/84/35/29/1433843529.db2.gz HLCZRKSNUOTFFX-LSDHHAIUSA-N 2 2 391.541 3.078 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc3c2N=S=N3)[C@@H](C)C1 ZINC000249420370 1433843531 /nfs/dbraw/zinc/84/35/31/1433843531.db2.gz HLCZRKSNUOTFFX-LSDHHAIUSA-N 2 2 391.541 3.078 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000249462087 1433844397 /nfs/dbraw/zinc/84/43/97/1433844397.db2.gz REXSZMOCGUZCIR-KBXCAEBGSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000249462087 1433844399 /nfs/dbraw/zinc/84/43/99/1433844399.db2.gz REXSZMOCGUZCIR-KBXCAEBGSA-N 2 2 385.911 3.144 20 0 GGADLP CCN(C(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C1CCCCC1 ZINC000250281395 1433855425 /nfs/dbraw/zinc/85/54/25/1433855425.db2.gz FPINHOAJUILGOA-NJYVYQBISA-N 2 2 392.632 3.047 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000251736198 1433860221 /nfs/dbraw/zinc/86/02/21/1433860221.db2.gz PRZAGCFISWAJDD-QIJUGHKUSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000251736198 1433860222 /nfs/dbraw/zinc/86/02/22/1433860222.db2.gz PRZAGCFISWAJDD-QIJUGHKUSA-N 2 2 395.551 3.386 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(C)C)cc1 ZINC000252692405 1433864271 /nfs/dbraw/zinc/86/42/71/1433864271.db2.gz BHHANLJUAWWODG-NGYIFUPDSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(C)C)cc1 ZINC000252692405 1433864272 /nfs/dbraw/zinc/86/42/72/1433864272.db2.gz BHHANLJUAWWODG-NGYIFUPDSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C(C)C)cc1 ZINC000252692405 1433864273 /nfs/dbraw/zinc/86/42/73/1433864273.db2.gz BHHANLJUAWWODG-NGYIFUPDSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C(C)C)cc1 ZINC000252692405 1433864274 /nfs/dbraw/zinc/86/42/74/1433864274.db2.gz BHHANLJUAWWODG-NGYIFUPDSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000252692328 1433864291 /nfs/dbraw/zinc/86/42/91/1433864291.db2.gz BERGFCZHMSMTTQ-BPUDTRNYSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000252692328 1433864293 /nfs/dbraw/zinc/86/42/93/1433864293.db2.gz BERGFCZHMSMTTQ-BPUDTRNYSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000252692328 1433864294 /nfs/dbraw/zinc/86/42/94/1433864294.db2.gz BERGFCZHMSMTTQ-BPUDTRNYSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000252692328 1433864295 /nfs/dbraw/zinc/86/42/95/1433864295.db2.gz BERGFCZHMSMTTQ-BPUDTRNYSA-N 2 2 397.563 3.211 20 0 GGADLP CSCCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000253191070 1433865090 /nfs/dbraw/zinc/86/50/90/1433865090.db2.gz XITJWHHYBCFIRJ-WOJBJXKFSA-N 2 2 398.661 3.498 20 0 GGADLP CSCCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000253191070 1433865091 /nfs/dbraw/zinc/86/50/91/1433865091.db2.gz XITJWHHYBCFIRJ-WOJBJXKFSA-N 2 2 398.661 3.498 20 0 GGADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255757496 1433889166 /nfs/dbraw/zinc/88/91/66/1433889166.db2.gz QSDUIALHMNCNQR-TWGQIWQCSA-N 2 2 396.579 3.434 20 0 GGADLP C[C@@H](CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000261476149 1433896714 /nfs/dbraw/zinc/89/67/14/1433896714.db2.gz XNVSSLZEMPJODB-KBXCAEBGSA-N 2 2 396.938 3.398 20 0 GGADLP C[C@@H](CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000261476149 1433896716 /nfs/dbraw/zinc/89/67/16/1433896716.db2.gz XNVSSLZEMPJODB-KBXCAEBGSA-N 2 2 396.938 3.398 20 0 GGADLP c1sc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1-c1ccccc1 ZINC000261636568 1433898014 /nfs/dbraw/zinc/89/80/14/1433898014.db2.gz CWYDUWTYEKVVDH-UHFFFAOYSA-N 2 2 379.533 3.489 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)C[C@@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000261743764 1433901052 /nfs/dbraw/zinc/90/10/52/1433901052.db2.gz GTGRRAXIRSUIQK-RDTXWAMCSA-N 2 2 389.590 3.423 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)C[C@@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000261743764 1433901056 /nfs/dbraw/zinc/90/10/56/1433901056.db2.gz GTGRRAXIRSUIQK-RDTXWAMCSA-N 2 2 389.590 3.423 20 0 GGADLP Fc1ccccc1-c1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)o1 ZINC000261858169 1433907712 /nfs/dbraw/zinc/90/77/12/1433907712.db2.gz YBKYFLCGERUSJP-UHFFFAOYSA-N 2 2 381.455 3.160 20 0 GGADLP Cc1cc(Br)cn2c(CN3C[C@@H](c4ccccc4)[C@H]([NH3+])C3)c[nH+]c12 ZINC000261900856 1433911559 /nfs/dbraw/zinc/91/15/59/1433911559.db2.gz WPODORYNLNWLKC-ZWKOTPCHSA-N 2 2 385.309 3.332 20 0 GGADLP Fc1ccc(I)c(F)c1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261994383 1433920109 /nfs/dbraw/zinc/92/01/09/1433920109.db2.gz KPXYKWKKAWXFCY-UHFFFAOYSA-N 2 2 392.231 3.145 20 0 GGADLP Fc1ccc(I)c(F)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261994383 1433920113 /nfs/dbraw/zinc/92/01/13/1433920113.db2.gz KPXYKWKKAWXFCY-UHFFFAOYSA-N 2 2 392.231 3.145 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC)c1OCc1ccccc1 ZINC000262025358 1433923467 /nfs/dbraw/zinc/92/34/67/1433923467.db2.gz NPCDWOUJFQUUNZ-QHCPKHFHSA-N 2 2 382.504 3.468 20 0 GGADLP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(OC)c1OCc1ccccc1 ZINC000262025358 1433923472 /nfs/dbraw/zinc/92/34/72/1433923472.db2.gz NPCDWOUJFQUUNZ-QHCPKHFHSA-N 2 2 382.504 3.468 20 0 GGADLP CSc1ccc([C@H](CNC(=O)[C@@H](C)C[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000262349183 1433936245 /nfs/dbraw/zinc/93/62/45/1433936245.db2.gz IURZMHXVOCITRG-KSSFIOAISA-N 2 2 389.590 3.280 20 0 GGADLP CSc1ccc([C@H](CNC(=O)[C@@H](C)C[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000262349183 1433936246 /nfs/dbraw/zinc/93/62/46/1433936246.db2.gz IURZMHXVOCITRG-KSSFIOAISA-N 2 2 389.590 3.280 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000262638407 1433947354 /nfs/dbraw/zinc/94/73/54/1433947354.db2.gz IMSCBESEGKGMDY-RBBKRZOGSA-N 2 2 381.520 3.347 20 0 GGADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000262667995 1433948790 /nfs/dbraw/zinc/94/87/90/1433948790.db2.gz QJWKMUUSOQDMNU-RBUKOAKNSA-N 2 2 391.437 3.404 20 0 GGADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000262667995 1433948795 /nfs/dbraw/zinc/94/87/95/1433948795.db2.gz QJWKMUUSOQDMNU-RBUKOAKNSA-N 2 2 391.437 3.404 20 0 GGADLP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1(C)C ZINC000262812582 1433958059 /nfs/dbraw/zinc/95/80/59/1433958059.db2.gz VRBOJOAYRWPYHJ-GCJKJVERSA-N 2 2 382.508 3.357 20 0 GGADLP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1(C)C ZINC000262812584 1433958207 /nfs/dbraw/zinc/95/82/07/1433958207.db2.gz VRBOJOAYRWPYHJ-PGRDOPGGSA-N 2 2 382.508 3.357 20 0 GGADLP [NH3+]Cc1cc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc(C(F)(F)F)c1 ZINC000263026594 1433978728 /nfs/dbraw/zinc/97/87/28/1433978728.db2.gz UACVKNARUJOEQV-GOSISDBHSA-N 2 2 393.409 3.004 20 0 GGADLP [NH3+]Cc1cc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(C(F)(F)F)c1 ZINC000263026594 1433978732 /nfs/dbraw/zinc/97/87/32/1433978732.db2.gz UACVKNARUJOEQV-GOSISDBHSA-N 2 2 393.409 3.004 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)C1 ZINC000263276736 1434000032 /nfs/dbraw/zinc/00/00/32/1434000032.db2.gz YSXKXCYLVAQIKT-ITMUERHQSA-N 2 2 376.570 3.467 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)C1 ZINC000263276736 1434000036 /nfs/dbraw/zinc/00/00/36/1434000036.db2.gz YSXKXCYLVAQIKT-ITMUERHQSA-N 2 2 376.570 3.467 20 0 GGADLP Cc1ccc([C@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)o1 ZINC000263684194 1434020431 /nfs/dbraw/zinc/02/04/31/1434020431.db2.gz HIJVOZZHJXOYOX-FQEVSTJZSA-N 2 2 378.476 3.400 20 0 GGADLP Cc1ccccc1[C@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000263697218 1434022314 /nfs/dbraw/zinc/02/23/14/1434022314.db2.gz HQZZBCPZZAIEOV-IBGZPJMESA-N 2 2 384.568 3.053 20 0 GGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)C[C@H](C)O1 ZINC000263751994 1434029408 /nfs/dbraw/zinc/02/94/08/1434029408.db2.gz PHXDTGLLWKBXOG-GJZGRUSLSA-N 2 2 376.526 3.119 20 0 GGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000263772631 1434031923 /nfs/dbraw/zinc/03/19/23/1434031923.db2.gz TZCVHADBMHWIOX-GJZGRUSLSA-N 2 2 376.526 3.119 20 0 GGADLP CC(C)N(Cc1cccc(F)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000263783126 1434033384 /nfs/dbraw/zinc/03/33/84/1434033384.db2.gz WTKSYGYJYVMFRY-UHFFFAOYSA-N 2 2 390.547 3.304 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(OC)c1 ZINC000263926528 1434049620 /nfs/dbraw/zinc/04/96/20/1434049620.db2.gz AMBZXOSRZRJRAO-UYAOXDASSA-N 2 2 399.539 3.390 20 0 GGADLP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)CC2)cs1 ZINC000263935089 1434050523 /nfs/dbraw/zinc/05/05/23/1434050523.db2.gz SOPYZJOHBSMLTH-SFHVURJKSA-N 2 2 392.594 3.144 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[NH+]1CCCC1 ZINC000263963370 1434054219 /nfs/dbraw/zinc/05/42/19/1434054219.db2.gz RQXQOTRIGJRDAJ-IEBWSBKVSA-N 2 2 397.523 3.144 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[NH+]1CCCC1 ZINC000263963371 1434054367 /nfs/dbraw/zinc/05/43/67/1434054367.db2.gz RQXQOTRIGJRDAJ-MJGOQNOKSA-N 2 2 397.523 3.144 20 0 GGADLP COc1cccc([C@@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCC2)c1 ZINC000263967231 1434055151 /nfs/dbraw/zinc/05/51/51/1434055151.db2.gz UWKTUYSWWLLZRI-UYAOXDASSA-N 2 2 397.523 3.144 20 0 GGADLP CC(C)N(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000264059216 1434067544 /nfs/dbraw/zinc/06/75/44/1434067544.db2.gz KUYOMGDIUQXSMI-UHFFFAOYSA-N 2 2 390.547 3.304 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000264272095 1434090591 /nfs/dbraw/zinc/09/05/91/1434090591.db2.gz PKKJPYZSNIIISH-SFHVURJKSA-N 2 2 394.560 3.030 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000264272095 1434090594 /nfs/dbraw/zinc/09/05/94/1434090594.db2.gz PKKJPYZSNIIISH-SFHVURJKSA-N 2 2 394.560 3.030 20 0 GGADLP C[C@H](c1cccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)c1)[NH+]1CCOCC1 ZINC000264279008 1434091671 /nfs/dbraw/zinc/09/16/71/1434091671.db2.gz WDJLNMXSTJGDKK-QGZVFWFLSA-N 2 2 386.540 3.076 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264292944 1434093732 /nfs/dbraw/zinc/09/37/32/1434093732.db2.gz MFFAUCRVXVXZNK-NRFANRHFSA-N 2 2 395.551 3.138 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264292944 1434093735 /nfs/dbraw/zinc/09/37/35/1434093735.db2.gz MFFAUCRVXVXZNK-NRFANRHFSA-N 2 2 395.551 3.138 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C2)CC1 ZINC000264369639 1434103821 /nfs/dbraw/zinc/10/38/21/1434103821.db2.gz HNWKHVCNTIQFCE-HSZRJFAPSA-N 2 2 398.595 3.064 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C2)CC1 ZINC000264369639 1434103823 /nfs/dbraw/zinc/10/38/23/1434103823.db2.gz HNWKHVCNTIQFCE-HSZRJFAPSA-N 2 2 398.595 3.064 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C2)CC1 ZINC000264369643 1434103831 /nfs/dbraw/zinc/10/38/31/1434103831.db2.gz HNWKHVCNTIQFCE-QHCPKHFHSA-N 2 2 398.595 3.064 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)N(c3ccccc3)C3CCCCC3)C2)CC1 ZINC000264369643 1434103834 /nfs/dbraw/zinc/10/38/34/1434103834.db2.gz HNWKHVCNTIQFCE-QHCPKHFHSA-N 2 2 398.595 3.064 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc4c(c3)CC(C)(C)O4)cc2)CC1 ZINC000264403116 1434108201 /nfs/dbraw/zinc/10/82/01/1434108201.db2.gz WTMOXVHHDQMLNO-UHFFFAOYSA-N 2 2 393.531 3.078 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000264438250 1434112561 /nfs/dbraw/zinc/11/25/61/1434112561.db2.gz DGOACPVGIQYXHA-WIYYLYMNSA-N 2 2 386.540 3.172 20 0 GGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(C(N)=O)cc1 ZINC000264600227 1434132884 /nfs/dbraw/zinc/13/28/84/1434132884.db2.gz DTNGDFQVTXGODB-UHFFFAOYSA-N 2 2 392.503 3.473 20 0 GGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(C(N)=O)cc1 ZINC000264600227 1434132888 /nfs/dbraw/zinc/13/28/88/1434132888.db2.gz DTNGDFQVTXGODB-UHFFFAOYSA-N 2 2 392.503 3.473 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccsc1 ZINC000264611289 1434134542 /nfs/dbraw/zinc/13/45/42/1434134542.db2.gz FOLZTTOWTPAUTC-SFHVURJKSA-N 2 2 399.520 3.448 20 0 GGADLP Cc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(OCC[NH+](C)C)c1 ZINC000265646121 1434253188 /nfs/dbraw/zinc/25/31/88/1434253188.db2.gz SFFKVMKHSOLBSK-UHFFFAOYSA-N 2 2 378.476 3.433 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000265695600 1434257451 /nfs/dbraw/zinc/25/74/51/1434257451.db2.gz GTGGWHQJQKCBRN-OAQYLSRUSA-N 2 2 381.524 3.091 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000265776550 1434264273 /nfs/dbraw/zinc/26/42/73/1434264273.db2.gz FEGRIJLIUQVWJV-GOSISDBHSA-N 2 2 383.496 3.054 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cn2c1 ZINC000266117547 1434304958 /nfs/dbraw/zinc/30/49/58/1434304958.db2.gz IKGAMDIVSWDLMA-SFHVURJKSA-N 2 2 386.565 3.210 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000266429565 1434335193 /nfs/dbraw/zinc/33/51/93/1434335193.db2.gz XMBNAUZSNMAFHM-OAHLLOKOSA-N 2 2 390.557 3.482 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000266429565 1434335194 /nfs/dbraw/zinc/33/51/94/1434335194.db2.gz XMBNAUZSNMAFHM-OAHLLOKOSA-N 2 2 390.557 3.482 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000266431028 1434335632 /nfs/dbraw/zinc/33/56/32/1434335632.db2.gz MYCZJSWGOJEPFP-QGZVFWFLSA-N 2 2 385.512 3.187 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[NH+](CC)CC ZINC000266662375 1434360923 /nfs/dbraw/zinc/36/09/23/1434360923.db2.gz INNVOOCJJXIFPP-UHFFFAOYSA-N 2 2 375.561 3.061 20 0 GGADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000266673402 1434362135 /nfs/dbraw/zinc/36/21/35/1434362135.db2.gz ZEAHZQBYCHLARE-KRWDZBQOSA-N 2 2 383.536 3.269 20 0 GGADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000266838366 1434380674 /nfs/dbraw/zinc/38/06/74/1434380674.db2.gz LWKLGRLBFLTPAZ-NRFANRHFSA-N 2 2 389.503 3.247 20 0 GGADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000266838366 1434380676 /nfs/dbraw/zinc/38/06/76/1434380676.db2.gz LWKLGRLBFLTPAZ-NRFANRHFSA-N 2 2 389.503 3.247 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267221927 1434414968 /nfs/dbraw/zinc/41/49/68/1434414968.db2.gz JFZBOLZBHVPJFF-GBXCKJPGSA-N 2 2 390.531 3.483 20 0 GGADLP C[N@H+](CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000267267639 1434418104 /nfs/dbraw/zinc/41/81/04/1434418104.db2.gz DTNKHIMIXNLRED-UHFFFAOYSA-N 2 2 395.482 3.002 20 0 GGADLP C[N@@H+](CCNC(=O)NCc1ccccc1Cn1cc[nH+]c1)Cc1ccc(F)cc1 ZINC000267267639 1434418107 /nfs/dbraw/zinc/41/81/07/1434418107.db2.gz DTNKHIMIXNLRED-UHFFFAOYSA-N 2 2 395.482 3.002 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000267301968 1434420733 /nfs/dbraw/zinc/42/07/33/1434420733.db2.gz AKLNZIBZHLPFFA-NQIIRXRSSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000267301968 1434420734 /nfs/dbraw/zinc/42/07/34/1434420734.db2.gz AKLNZIBZHLPFFA-NQIIRXRSSA-N 2 2 381.524 3.140 20 0 GGADLP Cn1c2ccccc2nc1CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000267339265 1434423995 /nfs/dbraw/zinc/42/39/95/1434423995.db2.gz BUPTYIUGMNHLSK-UHFFFAOYSA-N 2 2 377.536 3.150 20 0 GGADLP Cn1c2ccccc2nc1CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000267339265 1434423996 /nfs/dbraw/zinc/42/39/96/1434423996.db2.gz BUPTYIUGMNHLSK-UHFFFAOYSA-N 2 2 377.536 3.150 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267439549 1434433257 /nfs/dbraw/zinc/43/32/57/1434433257.db2.gz RZJIDLVPWSXHQF-RLLQIKCJSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267439549 1434433258 /nfs/dbraw/zinc/43/32/58/1434433258.db2.gz RZJIDLVPWSXHQF-RLLQIKCJSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267439548 1434433274 /nfs/dbraw/zinc/43/32/74/1434433274.db2.gz RZJIDLVPWSXHQF-MISYRCLQSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267439548 1434433275 /nfs/dbraw/zinc/43/32/75/1434433275.db2.gz RZJIDLVPWSXHQF-MISYRCLQSA-N 2 2 381.524 3.209 20 0 GGADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000267441887 1434433708 /nfs/dbraw/zinc/43/37/08/1434433708.db2.gz JXTYDRMPQQNNRO-RTBURBONSA-N 2 2 388.556 3.275 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000267441887 1434433710 /nfs/dbraw/zinc/43/37/10/1434433710.db2.gz JXTYDRMPQQNNRO-RTBURBONSA-N 2 2 388.556 3.275 20 0 GGADLP Cc1nc(C[NH+]2CCC(CNC(=O)c3sccc3C[NH+](C)C)CC2)oc1C ZINC000268009913 1434486719 /nfs/dbraw/zinc/48/67/19/1434486719.db2.gz GNJWJZULVICWID-UHFFFAOYSA-N 2 2 390.553 3.057 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000268291222 1434509286 /nfs/dbraw/zinc/50/92/86/1434509286.db2.gz BJTYYFOSDPGHJC-YUVXSKOASA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000268291222 1434509289 /nfs/dbraw/zinc/50/92/89/1434509289.db2.gz BJTYYFOSDPGHJC-YUVXSKOASA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268546243 1434532219 /nfs/dbraw/zinc/53/22/19/1434532219.db2.gz OGBCASWZGBTLRH-JYRKZWEQSA-N 2 2 395.551 3.455 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268546243 1434532221 /nfs/dbraw/zinc/53/22/21/1434532221.db2.gz OGBCASWZGBTLRH-JYRKZWEQSA-N 2 2 395.551 3.455 20 0 GGADLP C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CC[C@H]4CCCC[N@@H+]4C)CC3)cc2NC1=O ZINC000268578906 1434535811 /nfs/dbraw/zinc/53/58/11/1434535811.db2.gz SSPNVOZLRIIJPZ-QFBILLFUSA-N 2 2 399.535 3.175 20 0 GGADLP C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CC[C@H]4CCCC[N@H+]4C)CC3)cc2NC1=O ZINC000268578906 1434535815 /nfs/dbraw/zinc/53/58/15/1434535815.db2.gz SSPNVOZLRIIJPZ-QFBILLFUSA-N 2 2 399.535 3.175 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)cn1 ZINC000268775470 1434555812 /nfs/dbraw/zinc/55/58/12/1434555812.db2.gz GTLAZGIYJXBLGG-KRWDZBQOSA-N 2 2 377.492 3.263 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000268806947 1434559230 /nfs/dbraw/zinc/55/92/30/1434559230.db2.gz JJVMOFOLBFIFEA-OAQYLSRUSA-N 2 2 397.494 3.217 20 0 GGADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)n1 ZINC000268809665 1434559869 /nfs/dbraw/zinc/55/98/69/1434559869.db2.gz LSZDZZATPIRAHT-OAHLLOKOSA-N 2 2 399.470 3.485 20 0 GGADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)n1 ZINC000268809665 1434559874 /nfs/dbraw/zinc/55/98/74/1434559874.db2.gz LSZDZZATPIRAHT-OAHLLOKOSA-N 2 2 399.470 3.485 20 0 GGADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268812754 1434560286 /nfs/dbraw/zinc/56/02/86/1434560286.db2.gz OWKOHWWCKUBRDR-QUCCMNQESA-N 2 2 381.520 3.442 20 0 GGADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268812754 1434560288 /nfs/dbraw/zinc/56/02/88/1434560288.db2.gz OWKOHWWCKUBRDR-QUCCMNQESA-N 2 2 381.520 3.442 20 0 GGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268838605 1434562881 /nfs/dbraw/zinc/56/28/81/1434562881.db2.gz SXPJQJQMWWWZHL-GOSISDBHSA-N 2 2 381.520 3.242 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)CC1 ZINC000268840517 1434563118 /nfs/dbraw/zinc/56/31/18/1434563118.db2.gz UDTQGLZUBLOTEM-OAQYLSRUSA-N 2 2 379.504 3.078 20 0 GGADLP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268853780 1434564910 /nfs/dbraw/zinc/56/49/10/1434564910.db2.gz WWHNNUITMSMGAD-JOCHJYFZSA-N 2 2 393.531 3.386 20 0 GGADLP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCC2 ZINC000268859431 1434565393 /nfs/dbraw/zinc/56/53/93/1434565393.db2.gz YOEKESPKQCGZIS-SFHVURJKSA-N 2 2 398.576 3.260 20 0 GGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000268893326 1434568381 /nfs/dbraw/zinc/56/83/81/1434568381.db2.gz DJQYWIVQRDDUSA-SUMWQHHRSA-N 2 2 389.487 3.449 20 0 GGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000268893320 1434568467 /nfs/dbraw/zinc/56/84/67/1434568467.db2.gz DJQYWIVQRDDUSA-CXAGYDPISA-N 2 2 389.487 3.449 20 0 GGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000268893324 1434568583 /nfs/dbraw/zinc/56/85/83/1434568583.db2.gz DJQYWIVQRDDUSA-GUYCJALGSA-N 2 2 389.487 3.449 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000268976978 1434577877 /nfs/dbraw/zinc/57/78/77/1434577877.db2.gz JLAUNFMYLJETFE-JWNTYJGQSA-N 2 2 381.520 3.179 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000268976978 1434577885 /nfs/dbraw/zinc/57/78/85/1434577885.db2.gz JLAUNFMYLJETFE-JWNTYJGQSA-N 2 2 381.520 3.179 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH+]c2)CC1 ZINC000269112815 1434593646 /nfs/dbraw/zinc/59/36/46/1434593646.db2.gz COWLFXYENCZTHY-MRXNPFEDSA-N 2 2 389.544 3.033 20 0 GGADLP Cc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1-n1cncn1 ZINC000269145075 1434597092 /nfs/dbraw/zinc/59/70/92/1434597092.db2.gz NRSGWMWSAOBQEY-UHFFFAOYSA-N 2 2 391.523 3.113 20 0 GGADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000269196779 1434605400 /nfs/dbraw/zinc/60/54/00/1434605400.db2.gz GRCRQHDLZQXUID-WOJBJXKFSA-N 2 2 378.480 3.006 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269506149 1434654862 /nfs/dbraw/zinc/65/48/62/1434654862.db2.gz MZPVDYNVFPLCJI-UNMCSNQZSA-N 2 2 393.535 3.090 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269506149 1434654864 /nfs/dbraw/zinc/65/48/64/1434654864.db2.gz MZPVDYNVFPLCJI-UNMCSNQZSA-N 2 2 393.535 3.090 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000269526583 1434656568 /nfs/dbraw/zinc/65/65/68/1434656568.db2.gz JBTSARYJXMMPMJ-QGZVFWFLSA-N 2 2 385.512 3.139 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000269619776 1434664069 /nfs/dbraw/zinc/66/40/69/1434664069.db2.gz QHFNTCUFDYVGMS-SFHVURJKSA-N 2 2 389.503 3.282 20 0 GGADLP CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270056352 1434697458 /nfs/dbraw/zinc/69/74/58/1434697458.db2.gz OUCSUUXTGBDSCO-RBUKOAKNSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270056352 1434697461 /nfs/dbraw/zinc/69/74/61/1434697461.db2.gz OUCSUUXTGBDSCO-RBUKOAKNSA-N 2 2 378.948 3.144 20 0 GGADLP CC(=O)c1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000270061047 1434698049 /nfs/dbraw/zinc/69/80/49/1434698049.db2.gz QAOPQYYWDCTKJN-XZOQPEGZSA-N 2 2 399.579 3.227 20 0 GGADLP CC(=O)c1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000270061047 1434698051 /nfs/dbraw/zinc/69/80/51/1434698051.db2.gz QAOPQYYWDCTKJN-XZOQPEGZSA-N 2 2 399.579 3.227 20 0 GGADLP CC(=O)c1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000270061038 1434698207 /nfs/dbraw/zinc/69/82/07/1434698207.db2.gz QAOPQYYWDCTKJN-GOTSBHOMSA-N 2 2 399.579 3.227 20 0 GGADLP CC(=O)c1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000270061038 1434698212 /nfs/dbraw/zinc/69/82/12/1434698212.db2.gz QAOPQYYWDCTKJN-GOTSBHOMSA-N 2 2 399.579 3.227 20 0 GGADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000270071038 1434699318 /nfs/dbraw/zinc/69/93/18/1434699318.db2.gz UHSUHBYXPRHPCU-WOJBJXKFSA-N 2 2 391.531 3.244 20 0 GGADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000270071038 1434699321 /nfs/dbraw/zinc/69/93/21/1434699321.db2.gz UHSUHBYXPRHPCU-WOJBJXKFSA-N 2 2 391.531 3.244 20 0 GGADLP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000270096661 1434702743 /nfs/dbraw/zinc/70/27/43/1434702743.db2.gz KTZAGKKHAUDJSY-PXNSSMCTSA-N 2 2 381.524 3.307 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000270096664 1434702810 /nfs/dbraw/zinc/70/28/10/1434702810.db2.gz KTZAGKKHAUDJSY-XLIONFOSSA-N 2 2 381.524 3.307 20 0 GGADLP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000270096658 1434702849 /nfs/dbraw/zinc/70/28/49/1434702849.db2.gz KTZAGKKHAUDJSY-FXAWDEMLSA-N 2 2 381.524 3.307 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000270360436 1434726427 /nfs/dbraw/zinc/72/64/27/1434726427.db2.gz RIRUTUCFIZHPOP-WOJBJXKFSA-N 2 2 377.492 3.350 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000270360436 1434726429 /nfs/dbraw/zinc/72/64/29/1434726429.db2.gz RIRUTUCFIZHPOP-WOJBJXKFSA-N 2 2 377.492 3.350 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000270360430 1434726505 /nfs/dbraw/zinc/72/65/05/1434726505.db2.gz RIRUTUCFIZHPOP-PMACEKPBSA-N 2 2 377.492 3.350 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000270360430 1434726506 /nfs/dbraw/zinc/72/65/06/1434726506.db2.gz RIRUTUCFIZHPOP-PMACEKPBSA-N 2 2 377.492 3.350 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000270367386 1434727232 /nfs/dbraw/zinc/72/72/32/1434727232.db2.gz SNPJJOCIBHDVHK-GOSISDBHSA-N 2 2 375.476 3.080 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000270433452 1434732747 /nfs/dbraw/zinc/73/27/47/1434732747.db2.gz IOMJVRRZTPGQMH-NRFANRHFSA-N 2 2 392.503 3.184 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000270433452 1434732748 /nfs/dbraw/zinc/73/27/48/1434732748.db2.gz IOMJVRRZTPGQMH-NRFANRHFSA-N 2 2 392.503 3.184 20 0 GGADLP CCc1ccc(-c2noc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)n2)cc1 ZINC000270847019 1434780976 /nfs/dbraw/zinc/78/09/76/1434780976.db2.gz GBBNZSFHWXYTPF-UHFFFAOYSA-N 2 2 397.567 3.289 20 0 GGADLP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270904622 1434786495 /nfs/dbraw/zinc/78/64/95/1434786495.db2.gz NBEDIKXQOOUANR-FQEVSTJZSA-N 2 2 386.584 3.121 20 0 GGADLP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270933903 1434789158 /nfs/dbraw/zinc/78/91/58/1434789158.db2.gz QLSCSXGKOUZNBE-LJQANCHMSA-N 2 2 386.584 3.066 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000270942909 1434789697 /nfs/dbraw/zinc/78/96/97/1434789697.db2.gz RSNYKFDRKMPBSM-FQEVSTJZSA-N 2 2 386.584 3.121 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000270950185 1434790357 /nfs/dbraw/zinc/79/03/57/1434790357.db2.gz SSGKFXBNDXCZFV-KRWDZBQOSA-N 2 2 392.975 3.157 20 0 GGADLP COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000270952065 1434790577 /nfs/dbraw/zinc/79/05/77/1434790577.db2.gz MICUHANTFDPZFL-UHFFFAOYSA-N 2 2 398.551 3.142 20 0 GGADLP COCC[N@@H+](C)CCCC1CCN(C(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000270952065 1434790582 /nfs/dbraw/zinc/79/05/82/1434790582.db2.gz MICUHANTFDPZFL-UHFFFAOYSA-N 2 2 398.551 3.142 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000271312423 1434815272 /nfs/dbraw/zinc/81/52/72/1434815272.db2.gz SSJUZDRMGMMIDD-UHFFFAOYSA-N 2 2 396.457 3.285 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000271312423 1434815273 /nfs/dbraw/zinc/81/52/73/1434815273.db2.gz SSJUZDRMGMMIDD-UHFFFAOYSA-N 2 2 396.457 3.285 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000271523739 1434831843 /nfs/dbraw/zinc/83/18/43/1434831843.db2.gz WCYWFLHQYSEOSF-MRXNPFEDSA-N 2 2 398.576 3.260 20 0 GGADLP Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000271530073 1434832302 /nfs/dbraw/zinc/83/23/02/1434832302.db2.gz WOQPXOYRSBNFAE-DLBZAZTESA-N 2 2 387.553 3.003 20 0 GGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cccc(C(N)=O)c2)cc1 ZINC000271707179 1434845385 /nfs/dbraw/zinc/84/53/85/1434845385.db2.gz OQDRLWCMZLOZBE-UHFFFAOYSA-N 2 2 392.503 3.473 20 0 GGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cccc(C(N)=O)c2)cc1 ZINC000271707179 1434845386 /nfs/dbraw/zinc/84/53/86/1434845386.db2.gz OQDRLWCMZLOZBE-UHFFFAOYSA-N 2 2 392.503 3.473 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000271719365 1434846078 /nfs/dbraw/zinc/84/60/78/1434846078.db2.gz CXSRHRYAECTHRR-OFNKIYASSA-N 2 2 388.552 3.470 20 0 GGADLP CCOc1ccc(CC[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1OCC ZINC000271793133 1434850961 /nfs/dbraw/zinc/85/09/61/1434850961.db2.gz JKATULSNFBLEGB-UHFFFAOYSA-N 2 2 392.540 3.034 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000271806336 1434851916 /nfs/dbraw/zinc/85/19/16/1434851916.db2.gz MJAINHCIGROPLA-UYAOXDASSA-N 2 2 398.906 3.316 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000271806334 1434851946 /nfs/dbraw/zinc/85/19/46/1434851946.db2.gz MJAINHCIGROPLA-ICSRJNTNSA-N 2 2 398.906 3.316 20 0 GGADLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)c1 ZINC000271830807 1434853230 /nfs/dbraw/zinc/85/32/30/1434853230.db2.gz QYTOWVFBDWORDH-KRWDZBQOSA-N 2 2 389.540 3.178 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000271835097 1434853840 /nfs/dbraw/zinc/85/38/40/1434853840.db2.gz RUFMFTZVPYGWEM-GOSISDBHSA-N 2 2 398.551 3.119 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000272009434 1434865623 /nfs/dbraw/zinc/86/56/23/1434865623.db2.gz BODNSCHFLLBWPU-ACJLOTCBSA-N 2 2 393.413 3.015 20 0 GGADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)[C@H]2C1 ZINC000272239427 1434880758 /nfs/dbraw/zinc/88/07/58/1434880758.db2.gz AKXWZNIDJYTXMB-UZLBHIALSA-N 2 2 377.492 3.160 20 0 GGADLP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)[C@H]2C1 ZINC000272239427 1434880760 /nfs/dbraw/zinc/88/07/60/1434880760.db2.gz AKXWZNIDJYTXMB-UZLBHIALSA-N 2 2 377.492 3.160 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NC3CCN(c4nccs4)CC3)[nH+]c2)CC1 ZINC000272312955 1434886581 /nfs/dbraw/zinc/88/65/81/1434886581.db2.gz UBUYUKVGBBLRSW-UHFFFAOYSA-N 2 2 386.569 3.149 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272350892 1434889557 /nfs/dbraw/zinc/88/95/57/1434889557.db2.gz YETOJTVCDFYTJV-SESVDKBCSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272350892 1434889558 /nfs/dbraw/zinc/88/95/58/1434889558.db2.gz YETOJTVCDFYTJV-SESVDKBCSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272350892 1434889559 /nfs/dbraw/zinc/88/95/59/1434889559.db2.gz YETOJTVCDFYTJV-SESVDKBCSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272350892 1434889560 /nfs/dbraw/zinc/88/95/60/1434889560.db2.gz YETOJTVCDFYTJV-SESVDKBCSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272477453 1434899245 /nfs/dbraw/zinc/89/92/45/1434899245.db2.gz LTTHRECJJRIQOF-PZJWPPBQSA-N 2 2 386.561 3.351 20 0 GGADLP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477453 1434899246 /nfs/dbraw/zinc/89/92/46/1434899246.db2.gz LTTHRECJJRIQOF-PZJWPPBQSA-N 2 2 386.561 3.351 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272534835 1434904949 /nfs/dbraw/zinc/90/49/49/1434904949.db2.gz PEEROMKNPGRGKM-UGESXGAOSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272534835 1434904952 /nfs/dbraw/zinc/90/49/52/1434904952.db2.gz PEEROMKNPGRGKM-UGESXGAOSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1=CC[N@H+](C)CC1 ZINC000272649075 1434919577 /nfs/dbraw/zinc/91/95/77/1434919577.db2.gz DTFDETOSQAWRQL-MRXNPFEDSA-N 2 2 377.492 3.374 20 0 GGADLP C[C@@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1=CC[N@@H+](C)CC1 ZINC000272649075 1434919580 /nfs/dbraw/zinc/91/95/80/1434919580.db2.gz DTFDETOSQAWRQL-MRXNPFEDSA-N 2 2 377.492 3.374 20 0 GGADLP C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000272658220 1434920563 /nfs/dbraw/zinc/92/05/63/1434920563.db2.gz BLIFHTZSARIYNH-KURKYZTESA-N 2 2 386.540 3.068 20 0 GGADLP C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000272658220 1434920564 /nfs/dbraw/zinc/92/05/64/1434920564.db2.gz BLIFHTZSARIYNH-KURKYZTESA-N 2 2 386.540 3.068 20 0 GGADLP C[C@@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000272658212 1434920574 /nfs/dbraw/zinc/92/05/74/1434920574.db2.gz BLIFHTZSARIYNH-FGTMMUONSA-N 2 2 386.540 3.068 20 0 GGADLP C[C@@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000272658212 1434920576 /nfs/dbraw/zinc/92/05/76/1434920576.db2.gz BLIFHTZSARIYNH-FGTMMUONSA-N 2 2 386.540 3.068 20 0 GGADLP C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000272658212 1434920577 /nfs/dbraw/zinc/92/05/77/1434920577.db2.gz BLIFHTZSARIYNH-FGTMMUONSA-N 2 2 386.540 3.068 20 0 GGADLP C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000272658212 1434920578 /nfs/dbraw/zinc/92/05/78/1434920578.db2.gz BLIFHTZSARIYNH-FGTMMUONSA-N 2 2 386.540 3.068 20 0 GGADLP C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272747437 1434927819 /nfs/dbraw/zinc/92/78/19/1434927819.db2.gz NBUABZYKQXJDPG-ICSRJNTNSA-N 2 2 395.551 3.384 20 0 GGADLP C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272747437 1434927822 /nfs/dbraw/zinc/92/78/22/1434927822.db2.gz NBUABZYKQXJDPG-ICSRJNTNSA-N 2 2 395.551 3.384 20 0 GGADLP C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272747436 1434927962 /nfs/dbraw/zinc/92/79/62/1434927962.db2.gz NBUABZYKQXJDPG-AZUAARDMSA-N 2 2 395.551 3.384 20 0 GGADLP C[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272747436 1434927964 /nfs/dbraw/zinc/92/79/64/1434927964.db2.gz NBUABZYKQXJDPG-AZUAARDMSA-N 2 2 395.551 3.384 20 0 GGADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000272849187 1434935864 /nfs/dbraw/zinc/93/58/64/1434935864.db2.gz SIMNLLRJEMDBIG-NXHRZFHOSA-N 2 2 395.511 3.052 20 0 GGADLP CC(C)[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000272849187 1434935866 /nfs/dbraw/zinc/93/58/66/1434935866.db2.gz SIMNLLRJEMDBIG-NXHRZFHOSA-N 2 2 395.511 3.052 20 0 GGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000272849195 1434935946 /nfs/dbraw/zinc/93/59/46/1434935946.db2.gz SIMNLLRJEMDBIG-SZMVWBNQSA-N 2 2 395.511 3.052 20 0 GGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000272849195 1434935947 /nfs/dbraw/zinc/93/59/47/1434935947.db2.gz SIMNLLRJEMDBIG-SZMVWBNQSA-N 2 2 395.511 3.052 20 0 GGADLP NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000272927405 1434941594 /nfs/dbraw/zinc/94/15/94/1434941594.db2.gz ADVAVWSLVIXNAM-LJQANCHMSA-N 2 2 397.485 3.489 20 0 GGADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000273199334 1434971654 /nfs/dbraw/zinc/97/16/54/1434971654.db2.gz RBLVXVQDNZBCLR-QGZVFWFLSA-N 2 2 379.460 3.334 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273376456 1434984488 /nfs/dbraw/zinc/98/44/88/1434984488.db2.gz BJTDTXOAGITUKL-SFHLNBCPSA-N 2 2 386.561 3.349 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273376456 1434984491 /nfs/dbraw/zinc/98/44/91/1434984491.db2.gz BJTDTXOAGITUKL-SFHLNBCPSA-N 2 2 386.561 3.349 20 0 GGADLP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1OC ZINC000273581213 1434998106 /nfs/dbraw/zinc/99/81/06/1434998106.db2.gz IGPGEVBGYUSJGZ-UHFFFAOYSA-N 3 2 386.540 3.167 20 0 GGADLP CC[NH+](CC)CCOc1ccc(CNCc2c[nH+]ccc2N(C)C)cc1OC ZINC000273581213 1434998109 /nfs/dbraw/zinc/99/81/09/1434998109.db2.gz IGPGEVBGYUSJGZ-UHFFFAOYSA-N 2 2 386.540 3.167 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccccc3)c2C)CC1 ZINC000274200595 1435050816 /nfs/dbraw/zinc/05/08/16/1435050816.db2.gz KTFGYGMMVNAYDM-UHFFFAOYSA-N 2 2 398.551 3.055 20 0 GGADLP O=C(NCc1ccccc1C[NH+]1CCOCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000274305745 1435059906 /nfs/dbraw/zinc/05/99/06/1435059906.db2.gz VGZZTQQILGSMEV-UHFFFAOYSA-N 2 2 393.531 3.045 20 0 GGADLP OCC[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](CCO)c1ccco1)c1ccco1 ZINC000274392604 1435067622 /nfs/dbraw/zinc/06/76/22/1435067622.db2.gz HOCVYJJKSYMCKJ-BGYRXZFFSA-N 2 2 384.476 3.299 20 0 GGADLP CCSc1cccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000274450219 1435071871 /nfs/dbraw/zinc/07/18/71/1435071871.db2.gz QTBRZNZKTLKTDI-UHFFFAOYSA-N 2 2 383.561 3.476 20 0 GGADLP Cc1c(-c2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)on2)cnn1C ZINC000274788713 1435092626 /nfs/dbraw/zinc/09/26/26/1435092626.db2.gz BLKSSCXTCJFALL-HRAATJIYSA-N 2 2 379.508 3.384 20 0 GGADLP Cc1c(-c2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)on2)cnn1C ZINC000274788713 1435092629 /nfs/dbraw/zinc/09/26/29/1435092629.db2.gz BLKSSCXTCJFALL-HRAATJIYSA-N 2 2 379.508 3.384 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000274836408 1435096832 /nfs/dbraw/zinc/09/68/32/1435096832.db2.gz KZIRIMCCWFODKH-PZJWPPBQSA-N 2 2 375.557 3.155 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000274836408 1435096834 /nfs/dbraw/zinc/09/68/34/1435096834.db2.gz KZIRIMCCWFODKH-PZJWPPBQSA-N 2 2 375.557 3.155 20 0 GGADLP COC(=O)c1ccc(COc2ccc(C[NH2+][C@@H](C)Cn3cc[nH+]c3)cc2OC)o1 ZINC000274841529 1435097309 /nfs/dbraw/zinc/09/73/09/1435097309.db2.gz MOBQFJGEBVDZGX-HNNXBMFYSA-N 2 2 399.447 3.029 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000274855507 1435098108 /nfs/dbraw/zinc/09/81/08/1435098108.db2.gz SAMQMQSWEYINEV-XLIONFOSSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000274855507 1435098110 /nfs/dbraw/zinc/09/81/10/1435098110.db2.gz SAMQMQSWEYINEV-XLIONFOSSA-N 2 2 397.519 3.143 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000274873487 1435100047 /nfs/dbraw/zinc/10/00/47/1435100047.db2.gz XWFMXFDQWFCCEV-UZLBHIALSA-N 2 2 396.922 3.348 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000274873487 1435100048 /nfs/dbraw/zinc/10/00/48/1435100048.db2.gz XWFMXFDQWFCCEV-UZLBHIALSA-N 2 2 396.922 3.348 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000275610716 1435152793 /nfs/dbraw/zinc/15/27/93/1435152793.db2.gz JELIJQLNGQZYRJ-UHFFFAOYSA-N 2 2 386.540 3.080 20 0 GGADLP CC(C)Oc1cc(F)ccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000275643444 1435155727 /nfs/dbraw/zinc/15/57/27/1435155727.db2.gz MMTCPSBGQAZMEJ-UHFFFAOYSA-N 2 2 392.519 3.293 20 0 GGADLP C[NH+](C)CCc1ccccc1NC(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000275671460 1435158556 /nfs/dbraw/zinc/15/85/56/1435158556.db2.gz PDNLNWPCYLCKGU-UHFFFAOYSA-N 2 2 396.535 3.019 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275731442 1435163554 /nfs/dbraw/zinc/16/35/54/1435163554.db2.gz XHXZNSOHMGAECU-SFHVURJKSA-N 2 2 381.524 3.096 20 0 GGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@H](O)CC(F)(F)F)cc1 ZINC000276187432 1435196445 /nfs/dbraw/zinc/19/64/45/1435196445.db2.gz HUFNDGRWOVSCPY-QGZVFWFLSA-N 2 2 385.430 3.487 20 0 GGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@H](O)CC(F)(F)F)cc1 ZINC000276187432 1435196447 /nfs/dbraw/zinc/19/64/47/1435196447.db2.gz HUFNDGRWOVSCPY-QGZVFWFLSA-N 2 2 385.430 3.487 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cnn1C(C)(C)C ZINC000276310303 1435204029 /nfs/dbraw/zinc/20/40/29/1435204029.db2.gz FEBTYKNPBZBMJQ-RBDMOPTHSA-N 2 2 384.568 3.480 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cnn1C(C)(C)C ZINC000276310303 1435204032 /nfs/dbraw/zinc/20/40/32/1435204032.db2.gz FEBTYKNPBZBMJQ-RBDMOPTHSA-N 2 2 384.568 3.480 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000276535222 1435216304 /nfs/dbraw/zinc/21/63/04/1435216304.db2.gz DBULAXOGWARZBU-ROUUACIJSA-N 2 2 393.531 3.236 20 0 GGADLP COC(=O)c1csc(-c2cccc(C[NH2+]Cc3c[nH+]ccc3N(C)C)c2)n1 ZINC000276594611 1435219598 /nfs/dbraw/zinc/21/95/98/1435219598.db2.gz FBKITMVVRHLVNZ-UHFFFAOYSA-N 2 2 382.489 3.348 20 0 GGADLP COc1cccc(-c2noc([C@@H](C)[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000276755912 1435230188 /nfs/dbraw/zinc/23/01/88/1435230188.db2.gz LWPIFRBLXSQMKN-OAHLLOKOSA-N 2 2 379.464 3.460 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC000277056026 1435257181 /nfs/dbraw/zinc/25/71/81/1435257181.db2.gz IZLDEBWTKPMFNF-UHFFFAOYSA-N 2 2 393.553 3.030 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCS(=O)(=O)c1ccccc1OC ZINC000277056026 1435257182 /nfs/dbraw/zinc/25/71/82/1435257182.db2.gz IZLDEBWTKPMFNF-UHFFFAOYSA-N 2 2 393.553 3.030 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000277114258 1435263301 /nfs/dbraw/zinc/26/33/01/1435263301.db2.gz YAMXQJIDMVQKOE-HXUWFJFHSA-N 2 2 385.556 3.040 20 0 GGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CCCO1 ZINC000278027325 1435351649 /nfs/dbraw/zinc/35/16/49/1435351649.db2.gz WSHNCUVNGHLTMI-CQSZACIVSA-N 2 2 384.446 3.183 20 0 GGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CCCO1 ZINC000278027325 1435351651 /nfs/dbraw/zinc/35/16/51/1435351651.db2.gz WSHNCUVNGHLTMI-CQSZACIVSA-N 2 2 384.446 3.183 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cnc(-c4ccco4)s3)cc2)CC1 ZINC000278319859 1435379566 /nfs/dbraw/zinc/37/95/66/1435379566.db2.gz FJYHUZRNCPOBLS-UHFFFAOYSA-N 2 2 396.516 3.081 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278541091 1435398539 /nfs/dbraw/zinc/39/85/39/1435398539.db2.gz GJBOQJITDUJJML-ZJSXRUAMSA-N 2 2 394.563 3.051 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278541091 1435398541 /nfs/dbraw/zinc/39/85/41/1435398541.db2.gz GJBOQJITDUJJML-ZJSXRUAMSA-N 2 2 394.563 3.051 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000278609591 1435405164 /nfs/dbraw/zinc/40/51/64/1435405164.db2.gz MMBZAXKXEDQIRX-XLIONFOSSA-N 2 2 395.503 3.262 20 0 GGADLP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278741668 1435419200 /nfs/dbraw/zinc/41/92/00/1435419200.db2.gz AEVDPSNXONJJEV-MRXNPFEDSA-N 2 2 384.499 3.243 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278802368 1435425114 /nfs/dbraw/zinc/42/51/14/1435425114.db2.gz FXFPBMLBKNJZRT-INIZCTEOSA-N 2 2 398.576 3.434 20 0 GGADLP COc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278824721 1435427504 /nfs/dbraw/zinc/42/75/04/1435427504.db2.gz HUJWDPBXFOBFKQ-MRXNPFEDSA-N 2 2 382.508 3.435 20 0 GGADLP O=c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccc(O)cc2o1 ZINC000278837829 1435429161 /nfs/dbraw/zinc/42/91/61/1435429161.db2.gz JALUYSRCNPNXGN-UHFFFAOYSA-N 2 2 379.460 3.411 20 0 GGADLP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278839665 1435429388 /nfs/dbraw/zinc/42/93/88/1435429388.db2.gz JDHLMKMOPNKINQ-KRWDZBQOSA-N 2 2 396.535 3.112 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278903841 1435437703 /nfs/dbraw/zinc/43/77/03/1435437703.db2.gz PPWCLPOXRCYKOI-UHFFFAOYSA-N 2 2 398.507 3.055 20 0 GGADLP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278919179 1435440102 /nfs/dbraw/zinc/44/01/02/1435440102.db2.gz RHJZCSVXLDGWTD-INIZCTEOSA-N 2 2 377.496 3.136 20 0 GGADLP O=S(=O)(CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000278953547 1435444526 /nfs/dbraw/zinc/44/45/26/1435444526.db2.gz VZPOURVNLBQYJZ-UHFFFAOYSA-N 2 2 387.549 3.263 20 0 GGADLP CCOc1ccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278953536 1435444594 /nfs/dbraw/zinc/44/45/94/1435444594.db2.gz VYQNJUQZPVSHJO-UHFFFAOYSA-N 2 2 382.508 3.436 20 0 GGADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000279106130 1435460966 /nfs/dbraw/zinc/46/09/66/1435460966.db2.gz BGLNWWSLECKFLK-UHFFFAOYSA-N 2 2 380.414 3.096 20 0 GGADLP O=C(CCc1[nH]cc[nH+]1)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000279106130 1435460968 /nfs/dbraw/zinc/46/09/68/1435460968.db2.gz BGLNWWSLECKFLK-UHFFFAOYSA-N 2 2 380.414 3.096 20 0 GGADLP CCc1onc(-c2ccccc2)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000279626562 1435520500 /nfs/dbraw/zinc/52/05/00/1435520500.db2.gz BHHFWGQQOCHHCR-UHFFFAOYSA-N 2 2 396.535 3.192 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000279709158 1435533241 /nfs/dbraw/zinc/53/32/41/1435533241.db2.gz AGNKPVAUNLDWAG-HNNXBMFYSA-N 2 2 376.451 3.100 20 0 GGADLP Cc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000279782248 1435542160 /nfs/dbraw/zinc/54/21/60/1435542160.db2.gz CDDBPKJHAMJKFC-UHFFFAOYSA-N 2 2 376.504 3.303 20 0 GGADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279790947 1435543781 /nfs/dbraw/zinc/54/37/81/1435543781.db2.gz YAIUQSRVLCAGLW-ZRZAMGCNSA-N 2 2 386.499 3.135 20 0 GGADLP O=C(c1ccc(Cn2cc[nH+]c2)cc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279790947 1435543782 /nfs/dbraw/zinc/54/37/82/1435543782.db2.gz YAIUQSRVLCAGLW-ZRZAMGCNSA-N 2 2 386.499 3.135 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280295006 1435628148 /nfs/dbraw/zinc/62/81/48/1435628148.db2.gz NBALYOJPFNHFAX-QFIPXVFZSA-N 2 2 378.520 3.100 20 0 GGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(Cl)cc3-n3cncn3)[nH+]c2)C1 ZINC000280396980 1435652756 /nfs/dbraw/zinc/65/27/56/1435652756.db2.gz VJOCTJSDVQGUFI-SFHVURJKSA-N 2 2 397.914 3.068 20 0 GGADLP COC(=O)[C@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000280916888 1435741494 /nfs/dbraw/zinc/74/14/94/1435741494.db2.gz HYAZPYFEKNIHAR-NRFANRHFSA-N 2 2 399.535 3.186 20 0 GGADLP c1cncc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCC2)c1 ZINC000281019040 1435757670 /nfs/dbraw/zinc/75/76/70/1435757670.db2.gz ZEJVERYIIGEVSK-QHCPKHFHSA-N 2 2 381.520 3.424 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000281154629 1435785433 /nfs/dbraw/zinc/78/54/33/1435785433.db2.gz KFFLKDWCUTUNJM-IFXJQAMLSA-N 2 2 388.462 3.098 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000281154629 1435785449 /nfs/dbraw/zinc/78/54/49/1435785449.db2.gz KFFLKDWCUTUNJM-IFXJQAMLSA-N 2 2 388.462 3.098 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000281154626 1435785818 /nfs/dbraw/zinc/78/58/18/1435785818.db2.gz KFFLKDWCUTUNJM-AUUYWEPGSA-N 2 2 388.462 3.098 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000281154626 1435785819 /nfs/dbraw/zinc/78/58/19/1435785819.db2.gz KFFLKDWCUTUNJM-AUUYWEPGSA-N 2 2 388.462 3.098 20 0 GGADLP CN(C(=O)Nc1cncc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000281298834 1435803029 /nfs/dbraw/zinc/80/30/29/1435803029.db2.gz DBRFZVXTRKUPGD-MOPGFXCFSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1cncc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000281298834 1435803030 /nfs/dbraw/zinc/80/30/30/1435803030.db2.gz DBRFZVXTRKUPGD-MOPGFXCFSA-N 2 2 377.508 3.022 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281344418 1435804763 /nfs/dbraw/zinc/80/47/63/1435804763.db2.gz WJSUHPYQAYXIGG-ZFWWWQNUSA-N 2 2 390.478 3.392 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000281344418 1435804765 /nfs/dbraw/zinc/80/47/65/1435804765.db2.gz WJSUHPYQAYXIGG-ZFWWWQNUSA-N 2 2 390.478 3.392 20 0 GGADLP CSc1ccccc1[C@@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000282159780 1435836750 /nfs/dbraw/zinc/83/67/50/1435836750.db2.gz MXHXBXSLJIHNAC-MRXNPFEDSA-N 2 2 390.597 3.327 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncccc3Oc3ccccc3)CC2)CC1 ZINC000282238033 1435839676 /nfs/dbraw/zinc/83/96/76/1435839676.db2.gz FKRAQBXRISSFSV-UHFFFAOYSA-N 2 2 394.519 3.162 20 0 GGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000282622064 1435854051 /nfs/dbraw/zinc/85/40/51/1435854051.db2.gz ZZBHOZAVJLDFQX-IAGOWNOFSA-N 2 2 383.458 3.040 20 0 GGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000282622064 1435854052 /nfs/dbraw/zinc/85/40/52/1435854052.db2.gz ZZBHOZAVJLDFQX-IAGOWNOFSA-N 2 2 383.458 3.040 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217637 1435879750 /nfs/dbraw/zinc/87/97/50/1435879750.db2.gz SCUXVVQQOAKYOU-MJGOQNOKSA-N 2 2 398.576 3.307 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217637 1435879751 /nfs/dbraw/zinc/87/97/51/1435879751.db2.gz SCUXVVQQOAKYOU-MJGOQNOKSA-N 2 2 398.576 3.307 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217630 1435879765 /nfs/dbraw/zinc/87/97/65/1435879765.db2.gz SCUXVVQQOAKYOU-HKUYNNGSSA-N 2 2 398.576 3.307 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217630 1435879766 /nfs/dbraw/zinc/87/97/66/1435879766.db2.gz SCUXVVQQOAKYOU-HKUYNNGSSA-N 2 2 398.576 3.307 20 0 GGADLP O=C1CCCCN1CC1CC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283915987 1435951871 /nfs/dbraw/zinc/95/18/71/1435951871.db2.gz CBQPKGMPXPIEEE-HSZRJFAPSA-N 2 2 399.579 3.002 20 0 GGADLP O=C1CCCCN1CC1CC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283915987 1435951883 /nfs/dbraw/zinc/95/18/83/1435951883.db2.gz CBQPKGMPXPIEEE-HSZRJFAPSA-N 2 2 399.579 3.002 20 0 GGADLP CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284032715 1435977214 /nfs/dbraw/zinc/97/72/14/1435977214.db2.gz ILOIHEDJYZQISO-FGZHOGPDSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284032715 1435977223 /nfs/dbraw/zinc/97/72/23/1435977223.db2.gz ILOIHEDJYZQISO-FGZHOGPDSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284032715 1435977233 /nfs/dbraw/zinc/97/72/33/1435977233.db2.gz ILOIHEDJYZQISO-FGZHOGPDSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284032715 1435977245 /nfs/dbraw/zinc/97/72/45/1435977245.db2.gz ILOIHEDJYZQISO-FGZHOGPDSA-N 2 2 397.567 3.330 20 0 GGADLP COc1ncc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000284176985 1436001855 /nfs/dbraw/zinc/00/18/55/1436001855.db2.gz FQIYMWJRWWKYAZ-HNNXBMFYSA-N 2 2 375.900 3.427 20 0 GGADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cccc(N5CCOCC5)[nH+]4)[C@@H]3C2)cc1 ZINC001164624222 719089988 /nfs/dbraw/zinc/08/99/88/719089988.db2.gz DONNKWDZEJIJQW-NHCUHLMSSA-N 2 2 378.520 3.019 20 0 GGADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4cccc(N5CCOCC5)[nH+]4)[C@@H]3C2)cc1 ZINC001164624222 719089992 /nfs/dbraw/zinc/08/99/92/719089992.db2.gz DONNKWDZEJIJQW-NHCUHLMSSA-N 2 2 378.520 3.019 20 0 GGADLP [NH3+]C1CCN(c2cccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)[nH+]2)CC1 ZINC001164626715 719091853 /nfs/dbraw/zinc/09/18/53/719091853.db2.gz IOKXGACRBQYETL-RBBKRZOGSA-N 3 2 391.563 3.110 20 0 GGADLP [NH3+]C1CCN(c2cccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)[nH+]2)CC1 ZINC001164626715 719091859 /nfs/dbraw/zinc/09/18/59/719091859.db2.gz IOKXGACRBQYETL-RBBKRZOGSA-N 3 2 391.563 3.110 20 0 GGADLP Cc1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164696749 719886207 /nfs/dbraw/zinc/88/62/07/719886207.db2.gz AWKPZCZKEZGTJY-UHFFFAOYSA-N 2 2 383.521 3.199 20 0 GGADLP Cc1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164696749 719886209 /nfs/dbraw/zinc/88/62/09/719886209.db2.gz AWKPZCZKEZGTJY-UHFFFAOYSA-N 2 2 383.521 3.199 20 0 GGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001164714663 720148932 /nfs/dbraw/zinc/14/89/32/720148932.db2.gz XWGOBRXGRBIFHZ-NRFANRHFSA-N 2 2 395.551 3.304 20 0 GGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001164714663 720148940 /nfs/dbraw/zinc/14/89/40/720148940.db2.gz XWGOBRXGRBIFHZ-NRFANRHFSA-N 2 2 395.551 3.304 20 0 GGADLP Cc1cccc2cc[nH+]c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164812174 720241359 /nfs/dbraw/zinc/24/13/59/720241359.db2.gz CKTUOCCCBRXHOI-UHFFFAOYSA-N 2 2 391.519 3.350 20 0 GGADLP Cc1cccc2cc[nH+]c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164812174 720241368 /nfs/dbraw/zinc/24/13/68/720241368.db2.gz CKTUOCCCBRXHOI-UHFFFAOYSA-N 2 2 391.519 3.350 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2[nH+]ccc3ccccc32)CC1 ZINC001164821361 720297767 /nfs/dbraw/zinc/29/77/67/720297767.db2.gz KIMXLNMWBMEROJ-LEWJYISDSA-N 2 2 378.520 3.146 20 0 GGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833026 720319911 /nfs/dbraw/zinc/31/99/11/720319911.db2.gz VWDPPSFXURFBED-FGZHOGPDSA-N 2 2 392.547 3.455 20 0 GGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833025 720320048 /nfs/dbraw/zinc/32/00/48/720320048.db2.gz VWDPPSFXURFBED-FCHUYYIVSA-N 2 2 392.547 3.455 20 0 GGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC(C)C ZINC001164837869 720504734 /nfs/dbraw/zinc/50/47/34/720504734.db2.gz QCHJSRSDRJRBKW-VAMGGRTRSA-N 2 2 397.571 3.180 20 0 GGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC(C)C ZINC001164837869 720504742 /nfs/dbraw/zinc/50/47/42/720504742.db2.gz QCHJSRSDRJRBKW-VAMGGRTRSA-N 2 2 397.571 3.180 20 0 GGADLP CCCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001164834626 720571532 /nfs/dbraw/zinc/57/15/32/720571532.db2.gz FHVFVVQLYMCIIY-HLAWJBBLSA-N 2 2 382.556 3.312 20 0 GGADLP CCCc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001164834626 720571540 /nfs/dbraw/zinc/57/15/40/720571540.db2.gz FHVFVVQLYMCIIY-HLAWJBBLSA-N 2 2 382.556 3.312 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001164838134 720603473 /nfs/dbraw/zinc/60/34/73/720603473.db2.gz JRGSVBNHJCLOJA-XUVXKRRUSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001164838134 720603474 /nfs/dbraw/zinc/60/34/74/720603474.db2.gz JRGSVBNHJCLOJA-XUVXKRRUSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C2CC2)[nH+]1 ZINC001164841308 720621139 /nfs/dbraw/zinc/62/11/39/720621139.db2.gz RVEDVPSDTVNPEA-SLFFLAALSA-N 2 2 380.540 3.237 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C2CC2)[nH+]1 ZINC001164841308 720621155 /nfs/dbraw/zinc/62/11/55/720621155.db2.gz RVEDVPSDTVNPEA-SLFFLAALSA-N 2 2 380.540 3.237 20 0 GGADLP c1ncn(C[C@@H]2C[C@H]3CN(c4[nH+]ccc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748909 720814528 /nfs/dbraw/zinc/81/45/28/720814528.db2.gz RVCJPFUFOWYBKT-JAXLGGSGSA-N 2 2 388.519 3.206 20 0 GGADLP c1ncn(C[C@@H]2C[C@H]3CN(c4[nH+]ccc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748909 720814531 /nfs/dbraw/zinc/81/45/31/720814531.db2.gz RVCJPFUFOWYBKT-JAXLGGSGSA-N 2 2 388.519 3.206 20 0 GGADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC[C@@H]2C1 ZINC001164862091 720871155 /nfs/dbraw/zinc/87/11/55/720871155.db2.gz YVLUSRJMRMEWCN-CTNGQTDRSA-N 2 2 388.556 3.006 20 0 GGADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC[C@@H]2C1 ZINC001164862091 720871157 /nfs/dbraw/zinc/87/11/57/720871157.db2.gz YVLUSRJMRMEWCN-CTNGQTDRSA-N 2 2 388.556 3.006 20 0 GGADLP Cc1c[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc1N1CCCC1 ZINC001164861768 720916087 /nfs/dbraw/zinc/91/60/87/720916087.db2.gz UMOUODXSAWXMKN-KRWDZBQOSA-N 2 2 383.544 3.003 20 0 GGADLP Cc1c[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1N1CCCC1 ZINC001164861768 720916096 /nfs/dbraw/zinc/91/60/96/720916096.db2.gz UMOUODXSAWXMKN-KRWDZBQOSA-N 2 2 383.544 3.003 20 0 GGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858889 720985598 /nfs/dbraw/zinc/98/55/98/720985598.db2.gz IWALLCMMWVHDND-ZPUOCTKUSA-N 2 2 397.523 3.194 20 0 GGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858889 720985613 /nfs/dbraw/zinc/98/56/13/720985613.db2.gz IWALLCMMWVHDND-ZPUOCTKUSA-N 2 2 397.523 3.194 20 0 GGADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@@H](c5ccccc5)CO4)C3)[nH+]2)CC1 ZINC001164764968 721059782 /nfs/dbraw/zinc/05/97/82/721059782.db2.gz BYWULGBPBRCHLF-QPPBQGQZSA-N 2 2 392.547 3.377 20 0 GGADLP COc1ccc2c(C)cc(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH+]c2c1 ZINC001164772714 721159793 /nfs/dbraw/zinc/15/97/93/721159793.db2.gz VRKYGYIBYZEAHS-MOPGFXCFSA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2c(C)cc(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)[nH+]c2c1 ZINC001164772714 721159797 /nfs/dbraw/zinc/15/97/97/721159797.db2.gz VRKYGYIBYZEAHS-MOPGFXCFSA-N 2 2 391.519 3.244 20 0 GGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]cc(C)cc3C)C2)C1 ZINC001164779919 721349716 /nfs/dbraw/zinc/34/97/16/721349716.db2.gz XBQHLZIEWMJFJI-QFIPXVFZSA-N 2 2 384.524 3.422 20 0 GGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]cc(C)cc3C)C2)C1 ZINC001164779919 721349719 /nfs/dbraw/zinc/34/97/19/721349719.db2.gz XBQHLZIEWMJFJI-QFIPXVFZSA-N 2 2 384.524 3.422 20 0 GGADLP Cc1cc2ccccc2c(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164883528 721423495 /nfs/dbraw/zinc/42/34/95/721423495.db2.gz APELPEAYEFXTGT-URXFXBBRSA-N 2 2 394.563 3.309 20 0 GGADLP Cc1cc2ccccc2c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164883528 721423500 /nfs/dbraw/zinc/42/35/00/721423500.db2.gz APELPEAYEFXTGT-URXFXBBRSA-N 2 2 394.563 3.309 20 0 GGADLP COc1cc2c[nH+]c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)cc2cc1OC ZINC001164791061 721429177 /nfs/dbraw/zinc/42/91/77/721429177.db2.gz ZJYYNTAQXHEUSE-CALCHBBNSA-N 2 2 396.516 3.277 20 0 GGADLP COc1cc2c[nH+]c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)cc2cc1OC ZINC001164791061 721429180 /nfs/dbraw/zinc/42/91/80/721429180.db2.gz ZJYYNTAQXHEUSE-CALCHBBNSA-N 2 2 396.516 3.277 20 0 GGADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(C(C)C)[nH+]1 ZINC001164806140 721529660 /nfs/dbraw/zinc/52/96/60/721529660.db2.gz OFDVYBGCBVSVBB-URVUXULASA-N 2 2 381.524 3.172 20 0 GGADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)cc(C(C)C)[nH+]1 ZINC001164806140 721529665 /nfs/dbraw/zinc/52/96/65/721529665.db2.gz OFDVYBGCBVSVBB-URVUXULASA-N 2 2 381.524 3.172 20 0 GGADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(C(C)C)[nH+]1 ZINC001164806134 721529897 /nfs/dbraw/zinc/52/98/97/721529897.db2.gz OFDVYBGCBVSVBB-JAXLGGSGSA-N 2 2 381.524 3.172 20 0 GGADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)cc(C(C)C)[nH+]1 ZINC001164806134 721529903 /nfs/dbraw/zinc/52/99/03/721529903.db2.gz OFDVYBGCBVSVBB-JAXLGGSGSA-N 2 2 381.524 3.172 20 0 GGADLP CC(C)Oc1cc[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164801819 721559901 /nfs/dbraw/zinc/55/99/01/721559901.db2.gz HHVZDVFLUBDRJB-ONTIZHBOSA-N 2 2 382.508 3.132 20 0 GGADLP CC(C)Oc1cc[nH+]c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1 ZINC001164801819 721559904 /nfs/dbraw/zinc/55/99/04/721559904.db2.gz HHVZDVFLUBDRJB-ONTIZHBOSA-N 2 2 382.508 3.132 20 0 GGADLP CC(C)Oc1cc[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164801816 721560081 /nfs/dbraw/zinc/56/00/81/721560081.db2.gz HHVZDVFLUBDRJB-JAXLGGSGSA-N 2 2 382.508 3.132 20 0 GGADLP CC(C)Oc1cc[nH+]c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1 ZINC001164801816 721560082 /nfs/dbraw/zinc/56/00/82/721560082.db2.gz HHVZDVFLUBDRJB-JAXLGGSGSA-N 2 2 382.508 3.132 20 0 GGADLP CCCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(C)[nH+]1 ZINC001164810453 721566726 /nfs/dbraw/zinc/56/67/26/721566726.db2.gz YJHVNJCNRRJSAQ-RZUBCFFCSA-N 2 2 381.524 3.001 20 0 GGADLP CCCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)nc(C)[nH+]1 ZINC001164810453 721566728 /nfs/dbraw/zinc/56/67/28/721566728.db2.gz YJHVNJCNRRJSAQ-RZUBCFFCSA-N 2 2 381.524 3.001 20 0 GGADLP Cc1c[nH]c2nc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164902622 721583419 /nfs/dbraw/zinc/58/34/19/721583419.db2.gz GZRRSQVRXWCBQU-HXUWFJFHSA-N 2 2 398.461 3.399 20 0 GGADLP Cc1c[nH]c2nc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164902622 721583421 /nfs/dbraw/zinc/58/34/21/721583421.db2.gz GZRRSQVRXWCBQU-HXUWFJFHSA-N 2 2 398.461 3.399 20 0 GGADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC1CC1 ZINC001165018621 721797975 /nfs/dbraw/zinc/79/79/75/721797975.db2.gz BQYVVZNDSTWSLU-DZFGPLHGSA-N 2 2 392.551 3.491 20 0 GGADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC1CC1 ZINC001165018621 721797977 /nfs/dbraw/zinc/79/79/77/721797977.db2.gz BQYVVZNDSTWSLU-DZFGPLHGSA-N 2 2 392.551 3.491 20 0 GGADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC1CC1 ZINC001165018629 721798091 /nfs/dbraw/zinc/79/80/91/721798091.db2.gz BQYVVZNDSTWSLU-YYWHXJBOSA-N 2 2 392.551 3.491 20 0 GGADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1NC1CC1 ZINC001165018629 721798093 /nfs/dbraw/zinc/79/80/93/721798093.db2.gz BQYVVZNDSTWSLU-YYWHXJBOSA-N 2 2 392.551 3.491 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021409 721821212 /nfs/dbraw/zinc/82/12/12/721821212.db2.gz FMRWHXWRMGDOFX-CEWLAPEOSA-N 2 2 393.535 3.480 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021409 721821215 /nfs/dbraw/zinc/82/12/15/721821215.db2.gz FMRWHXWRMGDOFX-CEWLAPEOSA-N 2 2 393.535 3.480 20 0 GGADLP C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001164933272 721881970 /nfs/dbraw/zinc/88/19/70/721881970.db2.gz LIVZLIWRWHQZAZ-SFTDATJTSA-N 2 2 379.552 3.050 20 0 GGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5C)CC3)C2)cc1 ZINC001164939770 721923070 /nfs/dbraw/zinc/92/30/70/721923070.db2.gz MYDXKVNMTAVLTA-UHFFFAOYSA-N 2 2 391.519 3.148 20 0 GGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]cnc5c4ccn5C)CC3)C2)cc1 ZINC001164939770 721923073 /nfs/dbraw/zinc/92/30/73/721923073.db2.gz MYDXKVNMTAVLTA-UHFFFAOYSA-N 2 2 391.519 3.148 20 0 GGADLP Cc1cc2c(nc[nH+]c2N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)[nH]1 ZINC001164939349 721924784 /nfs/dbraw/zinc/92/47/84/721924784.db2.gz JQFFREJLXZZRAF-UHFFFAOYSA-N 2 2 391.519 3.446 20 0 GGADLP Cc1cc2c(nc[nH+]c2N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)[nH]1 ZINC001164939349 721924785 /nfs/dbraw/zinc/92/47/85/721924785.db2.gz JQFFREJLXZZRAF-UHFFFAOYSA-N 2 2 391.519 3.446 20 0 GGADLP COc1cc2c[nH+]c(N3CC[NH+](CCOc4ccccc4)CC3)cc2cc1OC ZINC001165044991 721960022 /nfs/dbraw/zinc/96/00/22/721960022.db2.gz RPCYQMRFBOOYPU-UHFFFAOYSA-N 2 2 393.487 3.453 20 0 GGADLP Cc1c[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1NCC1CC1 ZINC001164954360 722012112 /nfs/dbraw/zinc/01/21/12/722012112.db2.gz LTJIQPAURDIQFW-UHFFFAOYSA-N 2 2 392.551 3.494 20 0 GGADLP Cc1c[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1NCC1CC1 ZINC001164954360 722012117 /nfs/dbraw/zinc/01/21/17/722012117.db2.gz LTJIQPAURDIQFW-UHFFFAOYSA-N 2 2 392.551 3.494 20 0 GGADLP Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001164973249 722145580 /nfs/dbraw/zinc/14/55/80/722145580.db2.gz BNYMBNDBPMLAGI-VQTJNVASSA-N 2 2 395.551 3.205 20 0 GGADLP Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001164973249 722145584 /nfs/dbraw/zinc/14/55/84/722145584.db2.gz BNYMBNDBPMLAGI-VQTJNVASSA-N 2 2 395.551 3.205 20 0 GGADLP Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001164973240 722145698 /nfs/dbraw/zinc/14/56/98/722145698.db2.gz BNYMBNDBPMLAGI-PMACEKPBSA-N 2 2 395.551 3.205 20 0 GGADLP Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001164973240 722145701 /nfs/dbraw/zinc/14/57/01/722145701.db2.gz BNYMBNDBPMLAGI-PMACEKPBSA-N 2 2 395.551 3.205 20 0 GGADLP Cc1cc(Cl)c(C)c(N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH+]1 ZINC001165001656 722254148 /nfs/dbraw/zinc/25/41/48/722254148.db2.gz FKULGPAXAIZIFL-UHFFFAOYSA-N 2 2 377.920 3.037 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824546710 946785981 /nfs/dbraw/zinc/78/59/81/946785981.db2.gz KDPLNTBGQBHGBJ-JKSUJKDBSA-N 2 2 377.496 3.138 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000824893100 946973923 /nfs/dbraw/zinc/97/39/23/946973923.db2.gz PHCNFKFPXZDLNE-HNAYVOBHSA-N 2 2 380.471 3.149 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000824893100 946973927 /nfs/dbraw/zinc/97/39/27/946973927.db2.gz PHCNFKFPXZDLNE-HNAYVOBHSA-N 2 2 380.471 3.149 20 0 GGADLP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825740588 947313672 /nfs/dbraw/zinc/31/36/72/947313672.db2.gz VLZDZVIUWNCWGB-MRXNPFEDSA-N 2 2 391.523 3.139 20 0 GGADLP Cc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000826287397 947832686 /nfs/dbraw/zinc/83/26/86/947832686.db2.gz NJZQXUOBPDWLGV-MRXNPFEDSA-N 2 2 394.523 3.343 20 0 GGADLP c1c2ccccc2oc1C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826524051 948459327 /nfs/dbraw/zinc/45/93/27/948459327.db2.gz HJRQUGXJPXKZMM-UHFFFAOYSA-N 2 2 388.475 3.367 20 0 GGADLP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2cccs2)CC1 ZINC000022790083 207261879 /nfs/dbraw/zinc/26/18/79/207261879.db2.gz YZCSYDNHYJCWEF-HXUWFJFHSA-N 3 2 381.549 3.012 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000029810521 207367793 /nfs/dbraw/zinc/36/77/93/207367793.db2.gz YQKBFBIOORQHDA-QFIPXVFZSA-N 2 2 379.504 3.077 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000029810521 207367798 /nfs/dbraw/zinc/36/77/98/207367798.db2.gz YQKBFBIOORQHDA-QFIPXVFZSA-N 2 2 379.504 3.077 20 0 GGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000097162472 208339608 /nfs/dbraw/zinc/33/96/08/208339608.db2.gz SFBAQKAQZZUZLO-HNNXBMFYSA-N 2 2 376.460 3.009 20 0 GGADLP Cc1[nH+]c2ccccc2n1CC[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O ZINC000097162473 208341057 /nfs/dbraw/zinc/34/10/57/208341057.db2.gz SFBAQKAQZZUZLO-OAHLLOKOSA-N 2 2 376.460 3.009 20 0 GGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000234231451 565933453 /nfs/dbraw/zinc/93/34/53/565933453.db2.gz DJNIJJOPTIXJRZ-UHFFFAOYSA-N 2 2 380.124 3.301 20 0 GGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Br)c(O)c(Br)c1 ZINC000234231451 565933462 /nfs/dbraw/zinc/93/34/62/565933462.db2.gz DJNIJJOPTIXJRZ-UHFFFAOYSA-N 2 2 380.124 3.301 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC[N@@H+]1C ZINC000470258684 566859548 /nfs/dbraw/zinc/85/95/48/566859548.db2.gz KDWRWIGTUDWGAK-JOYOIKCWSA-N 2 2 391.151 3.366 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC[N@H+]1C ZINC000470258684 566859556 /nfs/dbraw/zinc/85/95/56/566859556.db2.gz KDWRWIGTUDWGAK-JOYOIKCWSA-N 2 2 391.151 3.366 20 0 GGADLP C[N@H+](CCCO)C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000115519433 564195586 /nfs/dbraw/zinc/19/55/86/564195586.db2.gz SZRLLEYVSPONLG-UHFFFAOYSA-N 2 2 378.314 3.280 20 0 GGADLP C[N@@H+](CCCO)C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000115519433 564195590 /nfs/dbraw/zinc/19/55/90/564195590.db2.gz SZRLLEYVSPONLG-UHFFFAOYSA-N 2 2 378.314 3.280 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000115548035 564195707 /nfs/dbraw/zinc/19/57/07/564195707.db2.gz AFABDPOPBRSPEV-UHFFFAOYSA-N 2 2 388.339 3.101 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000115548035 564195710 /nfs/dbraw/zinc/19/57/10/564195710.db2.gz AFABDPOPBRSPEV-UHFFFAOYSA-N 2 2 388.339 3.101 20 0 GGADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2F)CC1 ZINC000118868166 564246959 /nfs/dbraw/zinc/24/69/59/564246959.db2.gz HRWRTCUAJFDFCR-UHFFFAOYSA-N 2 2 386.309 3.190 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000118842108 564247127 /nfs/dbraw/zinc/24/71/27/564247127.db2.gz YJSAWYBLXFSVOS-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000118842108 564247133 /nfs/dbraw/zinc/24/71/33/564247133.db2.gz YJSAWYBLXFSVOS-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000118842108 564247138 /nfs/dbraw/zinc/24/71/38/564247138.db2.gz YJSAWYBLXFSVOS-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000118842108 564247142 /nfs/dbraw/zinc/24/71/42/564247142.db2.gz YJSAWYBLXFSVOS-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)c(Br)c1 ZINC000508688890 564270301 /nfs/dbraw/zinc/27/03/01/564270301.db2.gz YTEGZSVSNQEVLE-UHFFFAOYSA-N 2 2 391.313 3.217 20 0 GGADLP CC(C)(C)[NH2+]CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000120278036 564312781 /nfs/dbraw/zinc/31/27/81/564312781.db2.gz LSXXCPLXBUPNRY-MRXNPFEDSA-N 2 2 382.346 3.090 20 0 GGADLP COc1c(Br)cc(C[NH2+]CCn2cc[nH+]c2)cc1Br ZINC000041065655 564428966 /nfs/dbraw/zinc/42/89/66/564428966.db2.gz FIZBBMXWTZPLBK-UHFFFAOYSA-N 2 2 389.091 3.207 20 0 GGADLP Brc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1OCCCO2 ZINC000042800931 564451058 /nfs/dbraw/zinc/45/10/58/564451058.db2.gz HMGPQPPLBPVFME-UHFFFAOYSA-N 2 2 381.314 3.327 20 0 GGADLP C[NH+](C)CCCC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000123682174 564458396 /nfs/dbraw/zinc/45/83/96/564458396.db2.gz UPRBZOZNQUSMRN-KRWDZBQOSA-N 2 2 382.346 3.029 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccc(Br)s2)no1 ZINC000124289213 564478098 /nfs/dbraw/zinc/47/80/98/564478098.db2.gz OAYQBNVQGVTHCY-UHFFFAOYSA-N 2 2 382.287 3.279 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(-c2ccc(Br)s2)no1 ZINC000124289213 564478103 /nfs/dbraw/zinc/47/81/03/564478103.db2.gz OAYQBNVQGVTHCY-UHFFFAOYSA-N 2 2 382.287 3.279 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000046088977 564494570 /nfs/dbraw/zinc/49/45/70/564494570.db2.gz GPJHWVJMTANMQX-SFHVURJKSA-N 2 2 375.563 3.291 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1ccsc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000046088977 564494573 /nfs/dbraw/zinc/49/45/73/564494573.db2.gz GPJHWVJMTANMQX-SFHVURJKSA-N 2 2 375.563 3.291 20 0 GGADLP C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000050276770 564557050 /nfs/dbraw/zinc/55/70/50/564557050.db2.gz KUHLPCPEFWPBFV-HNNXBMFYSA-N 2 2 375.563 3.073 20 0 GGADLP C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000050276770 564557057 /nfs/dbraw/zinc/55/70/57/564557057.db2.gz KUHLPCPEFWPBFV-HNNXBMFYSA-N 2 2 375.563 3.073 20 0 GGADLP CSc1ccc(Cl)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050801912 564559998 /nfs/dbraw/zinc/55/99/98/564559998.db2.gz FQIDAOGDXIMTKE-UHFFFAOYSA-N 2 2 381.973 3.350 20 0 GGADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000051760934 564566874 /nfs/dbraw/zinc/56/68/74/564566874.db2.gz XLGAXZYXLVKKSQ-CYBMUJFWSA-N 2 2 384.977 3.320 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759511 564566991 /nfs/dbraw/zinc/56/69/91/564566991.db2.gz BMXFVSGVYMFUDJ-UHFFFAOYSA-N 2 2 384.977 3.102 20 0 GGADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052002231 564567890 /nfs/dbraw/zinc/56/78/90/564567890.db2.gz QBRKTDHSAPFVMU-SFHVURJKSA-N 2 2 397.357 3.139 20 0 GGADLP C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052071365 564569614 /nfs/dbraw/zinc/56/96/14/564569614.db2.gz CBVKIXIPMYRANC-OAHLLOKOSA-N 2 2 375.563 3.073 20 0 GGADLP C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052071365 564569616 /nfs/dbraw/zinc/56/96/16/564569616.db2.gz CBVKIXIPMYRANC-OAHLLOKOSA-N 2 2 375.563 3.073 20 0 GGADLP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+]1CCSCC1 ZINC000130659261 564689064 /nfs/dbraw/zinc/68/90/64/564689064.db2.gz LNVNQNJYRYEQNY-SJORKVTESA-N 2 2 381.611 3.075 20 0 GGADLP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+]1CCSCC1 ZINC000130659666 564689167 /nfs/dbraw/zinc/68/91/67/564689167.db2.gz LNVNQNJYRYEQNY-IRXDYDNUSA-N 2 2 381.611 3.075 20 0 GGADLP Cn1ncc(Cl)c1C[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000131322138 564708379 /nfs/dbraw/zinc/70/83/79/564708379.db2.gz JMVJKXNIGZWFCK-UHFFFAOYSA-N 2 2 382.339 3.029 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000131573426 564716363 /nfs/dbraw/zinc/71/63/63/564716363.db2.gz MMALKPZGFQVOFX-KRWDZBQOSA-N 2 2 381.973 3.236 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000131573426 564716368 /nfs/dbraw/zinc/71/63/68/564716368.db2.gz MMALKPZGFQVOFX-KRWDZBQOSA-N 2 2 381.973 3.236 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132200095 564736690 /nfs/dbraw/zinc/73/66/90/564736690.db2.gz ZOHMNEATFBUJEA-HNNXBMFYSA-N 2 2 388.313 3.111 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CC[NH+](Cc2cccs2)CC1 ZINC000066562976 564769367 /nfs/dbraw/zinc/76/93/67/564769367.db2.gz QCCIFMNAOPRWRA-KRWDZBQOSA-N 2 2 375.563 3.291 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CC[NH+](Cc2cccs2)CC1 ZINC000066562976 564769370 /nfs/dbraw/zinc/76/93/70/564769370.db2.gz QCCIFMNAOPRWRA-KRWDZBQOSA-N 2 2 375.563 3.291 20 0 GGADLP CC[NH+]1CCC(NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000133793488 564786044 /nfs/dbraw/zinc/78/60/44/564786044.db2.gz ODRNUMSINOKQGR-GOSISDBHSA-N 2 2 394.357 3.187 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134890222 564818224 /nfs/dbraw/zinc/81/82/24/564818224.db2.gz IZFZKLFJELQXKM-RHSMWYFYSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134890222 564818227 /nfs/dbraw/zinc/81/82/27/564818227.db2.gz IZFZKLFJELQXKM-RHSMWYFYSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134890222 564818230 /nfs/dbraw/zinc/81/82/30/564818230.db2.gz IZFZKLFJELQXKM-RHSMWYFYSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134890222 564818234 /nfs/dbraw/zinc/81/82/34/564818234.db2.gz IZFZKLFJELQXKM-RHSMWYFYSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134890245 564818315 /nfs/dbraw/zinc/81/83/15/564818315.db2.gz IZFZKLFJELQXKM-PBHICJAKSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134890245 564818318 /nfs/dbraw/zinc/81/83/18/564818318.db2.gz IZFZKLFJELQXKM-PBHICJAKSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134890245 564818322 /nfs/dbraw/zinc/81/83/22/564818322.db2.gz IZFZKLFJELQXKM-PBHICJAKSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134890245 564818324 /nfs/dbraw/zinc/81/83/24/564818324.db2.gz IZFZKLFJELQXKM-PBHICJAKSA-N 2 2 381.973 3.309 20 0 GGADLP C[C@@H]([NH3+])C1CC[NH+](Cc2ncc(Br)cc2Br)CC1 ZINC000135327946 564828419 /nfs/dbraw/zinc/82/84/19/564828419.db2.gz ILPBDZSGBQTRCC-SECBINFHSA-N 2 2 377.124 3.166 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cc1Br)OCCO2 ZINC000136294284 564848177 /nfs/dbraw/zinc/84/81/77/564848177.db2.gz YKIKXIVDWFGIGM-UHFFFAOYSA-N 2 2 380.286 3.247 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cc1Br)OCCO2 ZINC000136294284 564848182 /nfs/dbraw/zinc/84/81/82/564848182.db2.gz YKIKXIVDWFGIGM-UHFFFAOYSA-N 2 2 380.286 3.247 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139970473 564870338 /nfs/dbraw/zinc/87/03/38/564870338.db2.gz PXAQLXJESNDQTA-CKEIUWERSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139970473 564870341 /nfs/dbraw/zinc/87/03/41/564870341.db2.gz PXAQLXJESNDQTA-CKEIUWERSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139970473 564870342 /nfs/dbraw/zinc/87/03/42/564870342.db2.gz PXAQLXJESNDQTA-CKEIUWERSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139970473 564870344 /nfs/dbraw/zinc/87/03/44/564870344.db2.gz PXAQLXJESNDQTA-CKEIUWERSA-N 2 2 380.330 3.192 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1OC ZINC000150750470 564889138 /nfs/dbraw/zinc/88/91/38/564889138.db2.gz MBGBUEINEOAXLZ-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1OC ZINC000150750470 564889142 /nfs/dbraw/zinc/88/91/42/564889142.db2.gz MBGBUEINEOAXLZ-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CO2 ZINC000093664111 564889606 /nfs/dbraw/zinc/88/96/06/564889606.db2.gz FFSUAULLWDLHOR-CQSZACIVSA-N 2 2 383.319 3.423 20 0 GGADLP Clc1cc(Cl)c2c(c1)C=C(C[N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CO2 ZINC000093664111 564889607 /nfs/dbraw/zinc/88/96/07/564889607.db2.gz FFSUAULLWDLHOR-CQSZACIVSA-N 2 2 383.319 3.423 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150815660 564892294 /nfs/dbraw/zinc/89/22/94/564892294.db2.gz GUXFLAVHPQMAIZ-HNNXBMFYSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150815660 564892296 /nfs/dbraw/zinc/89/22/96/564892296.db2.gz GUXFLAVHPQMAIZ-HNNXBMFYSA-N 2 2 384.351 3.370 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150857078 564894030 /nfs/dbraw/zinc/89/40/30/564894030.db2.gz UYIGISUGMHGBKK-HUUCEWRRSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150857078 564894031 /nfs/dbraw/zinc/89/40/31/564894031.db2.gz UYIGISUGMHGBKK-HUUCEWRRSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150857053 564894085 /nfs/dbraw/zinc/89/40/85/564894085.db2.gz UYIGISUGMHGBKK-LSDHHAIUSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150857053 564894087 /nfs/dbraw/zinc/89/40/87/564894087.db2.gz UYIGISUGMHGBKK-LSDHHAIUSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H]1C[N@@H+](CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000102420497 564929616 /nfs/dbraw/zinc/92/96/16/564929616.db2.gz MFTJUHJUPQJNPY-GASCZTMLSA-N 2 2 395.341 3.314 20 0 GGADLP C[C@@H]1C[N@H+](CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000102420497 564929619 /nfs/dbraw/zinc/92/96/19/564929619.db2.gz MFTJUHJUPQJNPY-GASCZTMLSA-N 2 2 395.341 3.314 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000104067667 564953047 /nfs/dbraw/zinc/95/30/47/564953047.db2.gz HVTFOPQMTUEIAZ-HNNXBMFYSA-N 2 2 377.941 3.469 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCCn1cc[nH+]c1 ZINC000104338497 564954702 /nfs/dbraw/zinc/95/47/02/564954702.db2.gz GFPIVZHXTBWJLF-UHFFFAOYSA-N 2 2 393.329 3.016 20 0 GGADLP C[N@H+](CCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000105400851 564966105 /nfs/dbraw/zinc/96/61/05/564966105.db2.gz PQDSSIFFWSVXCD-KRWDZBQOSA-N 2 2 382.346 3.220 20 0 GGADLP C[N@@H+](CCC[NH2+][C@H](C(N)=O)c1ccc(Br)cc1)C1CCCCC1 ZINC000105400851 564966109 /nfs/dbraw/zinc/96/61/09/564966109.db2.gz PQDSSIFFWSVXCD-KRWDZBQOSA-N 2 2 382.346 3.220 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C[N@@H+]1C1CC1 ZINC000152754793 564970472 /nfs/dbraw/zinc/97/04/72/564970472.db2.gz GDCJCINIAKHCKV-HLLBOEOZSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)C[N@H+]1C1CC1 ZINC000152754793 564970475 /nfs/dbraw/zinc/97/04/75/564970475.db2.gz GDCJCINIAKHCKV-HLLBOEOZSA-N 2 2 378.358 3.490 20 0 GGADLP CC[NH+]1CCN([C@H]2CCN(c3cc[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000106479644 564983935 /nfs/dbraw/zinc/98/39/35/564983935.db2.gz IIFSMXCVCATIAL-INIZCTEOSA-N 2 2 389.341 3.214 20 0 GGADLP CCN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000106479644 564983937 /nfs/dbraw/zinc/98/39/37/564983937.db2.gz IIFSMXCVCATIAL-INIZCTEOSA-N 2 2 389.341 3.214 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153657206 565004794 /nfs/dbraw/zinc/00/47/94/565004794.db2.gz YDQOWBZWUDJNAZ-GFCCVEGCSA-N 2 2 378.249 3.149 20 0 GGADLP CC(C)[NH2+]C1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000108370685 565010775 /nfs/dbraw/zinc/01/07/75/565010775.db2.gz MRFIFOHJTWYEOY-HNNXBMFYSA-N 2 2 396.373 3.258 20 0 GGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000109786319 565030886 /nfs/dbraw/zinc/03/08/86/565030886.db2.gz DLSURXUYHUTTMV-HNNXBMFYSA-N 2 2 396.373 3.433 20 0 GGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000109786319 565030889 /nfs/dbraw/zinc/03/08/89/565030889.db2.gz DLSURXUYHUTTMV-HNNXBMFYSA-N 2 2 396.373 3.433 20 0 GGADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(Br)cc1 ZINC000109793619 565031816 /nfs/dbraw/zinc/03/18/16/565031816.db2.gz GHBUCYUXWBMCEK-UHFFFAOYSA-N 2 2 377.286 3.311 20 0 GGADLP C[N@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000154351287 565035420 /nfs/dbraw/zinc/03/54/20/565035420.db2.gz SSGZZGYMNASIQW-QZTJIDSGSA-N 2 2 381.973 3.030 20 0 GGADLP C[N@@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000154351287 565035423 /nfs/dbraw/zinc/03/54/23/565035423.db2.gz SSGZZGYMNASIQW-QZTJIDSGSA-N 2 2 381.973 3.030 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244105 565051751 /nfs/dbraw/zinc/05/17/51/565051751.db2.gz WQWBOYHYBSFUII-UHFFFAOYSA-N 2 2 381.307 3.485 20 0 GGADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccccc1Br ZINC000111244632 565052032 /nfs/dbraw/zinc/05/20/32/565052032.db2.gz JMYCQVWQHIPSGR-UHFFFAOYSA-N 2 2 377.286 3.311 20 0 GGADLP Brc1ccc(-c2nnc(C[NH+]3CCC(n4cc[nH+]c4)CC3)o2)o1 ZINC000111243320 565052100 /nfs/dbraw/zinc/05/21/00/565052100.db2.gz ITRGAMLIONRXIE-UHFFFAOYSA-N 2 2 378.230 3.126 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154874115 565055783 /nfs/dbraw/zinc/05/57/83/565055783.db2.gz DLZJMXLIGQMTJH-QGZVFWFLSA-N 2 2 383.330 3.363 20 0 GGADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1Br ZINC000112528852 565064419 /nfs/dbraw/zinc/06/44/19/565064419.db2.gz DWVRXOWJCRSAEO-HNNXBMFYSA-N 2 2 389.341 3.447 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Br ZINC000156356138 565082669 /nfs/dbraw/zinc/08/26/69/565082669.db2.gz RDQUYILXAFPYNZ-INIZCTEOSA-N 2 2 390.281 3.244 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1Br ZINC000156356138 565082673 /nfs/dbraw/zinc/08/26/73/565082673.db2.gz RDQUYILXAFPYNZ-INIZCTEOSA-N 2 2 390.281 3.244 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCSc3ccccc3Cl)C2)CC1 ZINC000369264548 565083857 /nfs/dbraw/zinc/08/38/57/565083857.db2.gz BNMWRYDEDDTADY-OAHLLOKOSA-N 2 2 381.973 3.107 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCSc3ccccc3Cl)C2)CC1 ZINC000369264548 565083863 /nfs/dbraw/zinc/08/38/63/565083863.db2.gz BNMWRYDEDDTADY-OAHLLOKOSA-N 2 2 381.973 3.107 20 0 GGADLP Brc1ccc(-c2nnc(C[NH+]3CCC(c4[nH]cc[nH+]4)CC3)o2)o1 ZINC000266698153 565089300 /nfs/dbraw/zinc/08/93/00/565089300.db2.gz BYUVKFHOWRAPTR-UHFFFAOYSA-N 2 2 378.230 3.195 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C[N@@H+]1C1CC1 ZINC000156477049 565089484 /nfs/dbraw/zinc/08/94/84/565089484.db2.gz MRPNIIHSGMHGIH-HLLBOEOZSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C[N@H+]1C1CC1 ZINC000156477049 565089488 /nfs/dbraw/zinc/08/94/88/565089488.db2.gz MRPNIIHSGMHGIH-HLLBOEOZSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183802007 565095502 /nfs/dbraw/zinc/09/55/02/565095502.db2.gz CDHTYOVMVUHGRT-HNAYVOBHSA-N 2 2 392.341 3.357 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266914092 565095611 /nfs/dbraw/zinc/09/56/11/565095611.db2.gz JTAWPAIFSLXLSP-CYBMUJFWSA-N 2 2 377.286 3.299 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266914092 565095613 /nfs/dbraw/zinc/09/56/13/565095613.db2.gz JTAWPAIFSLXLSP-CYBMUJFWSA-N 2 2 377.286 3.299 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000266929013 565096920 /nfs/dbraw/zinc/09/69/20/565096920.db2.gz OACOFDLQEVCCOG-DZGCQCFKSA-N 2 2 391.313 3.229 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000266929013 565096925 /nfs/dbraw/zinc/09/69/25/565096925.db2.gz OACOFDLQEVCCOG-DZGCQCFKSA-N 2 2 391.313 3.229 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000369705184 565107298 /nfs/dbraw/zinc/10/72/98/565107298.db2.gz VROGNOGDQXNJBC-UHFFFAOYSA-N 2 2 399.358 3.174 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)cc(Br)c3)C2)CC1 ZINC000370083743 565126956 /nfs/dbraw/zinc/12/69/56/565126956.db2.gz SUTBOYAYEKXJSH-GOSISDBHSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3)C2)CC1 ZINC000370083743 565126960 /nfs/dbraw/zinc/12/69/60/565126960.db2.gz SUTBOYAYEKXJSH-GOSISDBHSA-N 2 2 384.337 3.189 20 0 GGADLP CCn1cc[nH+]c1CN(C(=O)c1ccc(Cl)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370158860 565130466 /nfs/dbraw/zinc/13/04/66/565130466.db2.gz FJXOUQAZNNHQNE-CQSZACIVSA-N 2 2 378.929 3.402 20 0 GGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370147180 565130795 /nfs/dbraw/zinc/13/07/95/565130795.db2.gz APXUQLAHYQPENJ-BEFAXECRSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370147180 565130802 /nfs/dbraw/zinc/13/08/02/565130802.db2.gz APXUQLAHYQPENJ-BEFAXECRSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370147183 565130824 /nfs/dbraw/zinc/13/08/24/565130824.db2.gz APXUQLAHYQPENJ-KXBFYZLASA-N 2 2 380.374 3.215 20 0 GGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370147183 565130828 /nfs/dbraw/zinc/13/08/28/565130828.db2.gz APXUQLAHYQPENJ-KXBFYZLASA-N 2 2 380.374 3.215 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157622615 565138383 /nfs/dbraw/zinc/13/83/83/565138383.db2.gz VCEHDVXUKKWDOH-SUMWQHHRSA-N 2 2 380.330 3.240 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157622615 565138389 /nfs/dbraw/zinc/13/83/89/565138389.db2.gz VCEHDVXUKKWDOH-SUMWQHHRSA-N 2 2 380.330 3.240 20 0 GGADLP C[N@H+](Cc1ccnc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292911112 565140510 /nfs/dbraw/zinc/14/05/10/565140510.db2.gz XATPNQFHYBCWQP-UHFFFAOYSA-N 2 2 389.341 3.378 20 0 GGADLP C[N@@H+](Cc1ccnc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000292911112 565140514 /nfs/dbraw/zinc/14/05/14/565140514.db2.gz XATPNQFHYBCWQP-UHFFFAOYSA-N 2 2 389.341 3.378 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157785494 565143655 /nfs/dbraw/zinc/14/36/55/565143655.db2.gz FCGIJZQRLAKPSE-SUMWQHHRSA-N 2 2 380.330 3.240 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157785494 565143659 /nfs/dbraw/zinc/14/36/59/565143659.db2.gz FCGIJZQRLAKPSE-SUMWQHHRSA-N 2 2 380.330 3.240 20 0 GGADLP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000184576216 565145141 /nfs/dbraw/zinc/14/51/41/565145141.db2.gz UOANHDQXLHGJQY-VKJFTORMSA-N 2 2 394.357 3.325 20 0 GGADLP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000184576216 565145145 /nfs/dbraw/zinc/14/51/45/565145145.db2.gz UOANHDQXLHGJQY-VKJFTORMSA-N 2 2 394.357 3.325 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000293032156 565147232 /nfs/dbraw/zinc/14/72/32/565147232.db2.gz JAMYIRPVBUEDBO-BLLLJJGKSA-N 2 2 375.738 3.194 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000293032156 565147236 /nfs/dbraw/zinc/14/72/36/565147236.db2.gz JAMYIRPVBUEDBO-BLLLJJGKSA-N 2 2 375.738 3.194 20 0 GGADLP C[C@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370699831 565156643 /nfs/dbraw/zinc/15/66/43/565156643.db2.gz RJJJYUOUFYYNFN-DOTOQJQBSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370699831 565156647 /nfs/dbraw/zinc/15/66/47/565156647.db2.gz RJJJYUOUFYYNFN-DOTOQJQBSA-N 2 2 376.595 3.329 20 0 GGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000370703929 565156769 /nfs/dbraw/zinc/15/67/69/565156769.db2.gz VPJRPPFGYSNZLP-KDOFPFPSSA-N 2 2 386.367 3.460 20 0 GGADLP COc1cc(Cl)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000370703929 565156771 /nfs/dbraw/zinc/15/67/71/565156771.db2.gz VPJRPPFGYSNZLP-KDOFPFPSSA-N 2 2 386.367 3.460 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Br)c1 ZINC000370695658 565156890 /nfs/dbraw/zinc/15/68/90/565156890.db2.gz BZUSPOQUOZLZKQ-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(Br)c1 ZINC000370695658 565156893 /nfs/dbraw/zinc/15/68/93/565156893.db2.gz BZUSPOQUOZLZKQ-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP C[C@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370699840 565157068 /nfs/dbraw/zinc/15/70/68/565157068.db2.gz RJJJYUOUFYYNFN-RDJZCZTQSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370699840 565157073 /nfs/dbraw/zinc/15/70/73/565157073.db2.gz RJJJYUOUFYYNFN-RDJZCZTQSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370699842 565157123 /nfs/dbraw/zinc/15/71/23/565157123.db2.gz RJJJYUOUFYYNFN-WBVHZDCISA-N 2 2 376.595 3.329 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370699842 565157131 /nfs/dbraw/zinc/15/71/31/565157131.db2.gz RJJJYUOUFYYNFN-WBVHZDCISA-N 2 2 376.595 3.329 20 0 GGADLP CSc1ccc(Cl)c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370841825 565163856 /nfs/dbraw/zinc/16/38/56/565163856.db2.gz OMMLNGNPWNZJQO-OAHLLOKOSA-N 2 2 381.973 3.302 20 0 GGADLP CSc1ccc(Cl)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370841825 565163860 /nfs/dbraw/zinc/16/38/60/565163860.db2.gz OMMLNGNPWNZJQO-OAHLLOKOSA-N 2 2 381.973 3.302 20 0 GGADLP CCc1cc(Br)ccc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000268757390 565166205 /nfs/dbraw/zinc/16/62/05/565166205.db2.gz YSLOJSDRNUMLFD-UHFFFAOYSA-N 2 2 397.361 3.159 20 0 GGADLP COc1cc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccc1S(=O)(=O)C(F)F ZINC000268752126 565166588 /nfs/dbraw/zinc/16/65/88/565166588.db2.gz IEXQUAMZHUZRPF-ZDUSSCGKSA-N 2 2 378.485 3.072 20 0 GGADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccc1S(=O)(=O)C(F)F ZINC000268752126 565166595 /nfs/dbraw/zinc/16/65/95/565166595.db2.gz IEXQUAMZHUZRPF-ZDUSSCGKSA-N 2 2 378.485 3.072 20 0 GGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000268753219 565166743 /nfs/dbraw/zinc/16/67/43/565166743.db2.gz WIPDZHBVRCBIHV-CYBMUJFWSA-N 2 2 378.485 3.074 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@@H](C)C1 ZINC000268760297 565166856 /nfs/dbraw/zinc/16/68/56/565166856.db2.gz LDUOWPZSTGQKHJ-GWCFXTLKSA-N 2 2 375.826 3.221 20 0 GGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@@H](C)C1 ZINC000268760297 565166859 /nfs/dbraw/zinc/16/68/59/565166859.db2.gz LDUOWPZSTGQKHJ-GWCFXTLKSA-N 2 2 375.826 3.221 20 0 GGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000268829699 565169639 /nfs/dbraw/zinc/16/96/39/565169639.db2.gz QRLYIOLCXMVMTC-QWHCGFSZSA-N 2 2 389.301 3.274 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000158619793 565176597 /nfs/dbraw/zinc/17/65/97/565176597.db2.gz PVXCJPOXXYDMBR-PBHICJAKSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000158619793 565176601 /nfs/dbraw/zinc/17/66/01/565176601.db2.gz PVXCJPOXXYDMBR-PBHICJAKSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Br ZINC000158619793 565176605 /nfs/dbraw/zinc/17/66/05/565176605.db2.gz PVXCJPOXXYDMBR-PBHICJAKSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1Br ZINC000158619793 565176609 /nfs/dbraw/zinc/17/66/09/565176609.db2.gz PVXCJPOXXYDMBR-PBHICJAKSA-N 2 2 380.330 3.112 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158859882 565184808 /nfs/dbraw/zinc/18/48/08/565184808.db2.gz SXMLGPCKBIIEJE-BBRMVZONSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158859882 565184815 /nfs/dbraw/zinc/18/48/15/565184815.db2.gz SXMLGPCKBIIEJE-BBRMVZONSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158859882 565184818 /nfs/dbraw/zinc/18/48/18/565184818.db2.gz SXMLGPCKBIIEJE-BBRMVZONSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158859882 565184823 /nfs/dbraw/zinc/18/48/23/565184823.db2.gz SXMLGPCKBIIEJE-BBRMVZONSA-N 2 2 381.314 3.136 20 0 GGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000371300534 565185990 /nfs/dbraw/zinc/18/59/90/565185990.db2.gz PKTQCYZMYOBYNS-YXJHDRRASA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000371300534 565185993 /nfs/dbraw/zinc/18/59/93/565185993.db2.gz PKTQCYZMYOBYNS-YXJHDRRASA-N 2 2 383.330 3.141 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000158944229 565188449 /nfs/dbraw/zinc/18/84/49/565188449.db2.gz WOFBTHHKDRBRQT-YXJHDRRASA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000158944229 565188454 /nfs/dbraw/zinc/18/84/54/565188454.db2.gz WOFBTHHKDRBRQT-YXJHDRRASA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000158944229 565188460 /nfs/dbraw/zinc/18/84/60/565188460.db2.gz WOFBTHHKDRBRQT-YXJHDRRASA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Br)cc1 ZINC000158944229 565188467 /nfs/dbraw/zinc/18/84/67/565188467.db2.gz WOFBTHHKDRBRQT-YXJHDRRASA-N 2 2 394.357 3.042 20 0 GGADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371342330 565188976 /nfs/dbraw/zinc/18/89/76/565188976.db2.gz XCRAEGOJHCOREM-QAPCUYQASA-N 2 2 376.595 3.329 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371342330 565188977 /nfs/dbraw/zinc/18/89/77/565188977.db2.gz XCRAEGOJHCOREM-QAPCUYQASA-N 2 2 376.595 3.329 20 0 GGADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C)CC1 ZINC000371847240 565212975 /nfs/dbraw/zinc/21/29/75/565212975.db2.gz SMHYXDXNDDNLPH-QGZVFWFLSA-N 2 2 394.357 3.046 20 0 GGADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C)CC1 ZINC000371847240 565212980 /nfs/dbraw/zinc/21/29/80/565212980.db2.gz SMHYXDXNDDNLPH-QGZVFWFLSA-N 2 2 394.357 3.046 20 0 GGADLP C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730745 565219317 /nfs/dbraw/zinc/21/93/17/565219317.db2.gz ZIEKHFXKWMJUGP-YEWWUXTCSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730745 565219322 /nfs/dbraw/zinc/21/93/22/565219322.db2.gz ZIEKHFXKWMJUGP-YEWWUXTCSA-N 2 2 394.357 3.218 20 0 GGADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000270849034 565229664 /nfs/dbraw/zinc/22/96/64/565229664.db2.gz HPGBXVNVXQBWLQ-UHFFFAOYSA-N 2 2 391.313 3.305 20 0 GGADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000270867204 565230868 /nfs/dbraw/zinc/23/08/68/565230868.db2.gz LBRQFQDMKXCODR-UHFFFAOYSA-N 2 2 391.313 3.305 20 0 GGADLP OC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000271418029 565252780 /nfs/dbraw/zinc/25/27/80/565252780.db2.gz BNQNVQLPAJTXRQ-QGZVFWFLSA-N 2 2 376.298 3.136 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000295292485 565257646 /nfs/dbraw/zinc/25/76/46/565257646.db2.gz XEQWIIIVUCDNRA-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP COc1c(Br)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372980078 565262606 /nfs/dbraw/zinc/26/26/06/565262606.db2.gz OIQCGLTZCLNGMD-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP COc1c(Br)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372980078 565262609 /nfs/dbraw/zinc/26/26/09/565262609.db2.gz OIQCGLTZCLNGMD-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2csc(Br)c2)CC1 ZINC000271827678 565269521 /nfs/dbraw/zinc/26/95/21/565269521.db2.gz QBZOGWZFQQXFCS-UHFFFAOYSA-N 2 2 375.332 3.018 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100563 565270613 /nfs/dbraw/zinc/27/06/13/565270613.db2.gz SKQNLUUHTOOEEQ-XJKSGUPXSA-N 2 2 382.277 3.235 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100563 565270617 /nfs/dbraw/zinc/27/06/17/565270617.db2.gz SKQNLUUHTOOEEQ-XJKSGUPXSA-N 2 2 382.277 3.235 20 0 GGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000373368098 565281553 /nfs/dbraw/zinc/28/15/53/565281553.db2.gz CTOKSTABMHDMTK-AWEZNQCLSA-N 2 2 376.492 3.071 20 0 GGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000373368098 565281559 /nfs/dbraw/zinc/28/15/59/565281559.db2.gz CTOKSTABMHDMTK-AWEZNQCLSA-N 2 2 376.492 3.071 20 0 GGADLP OC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000272548440 565290131 /nfs/dbraw/zinc/29/01/31/565290131.db2.gz LTJIBCAUJIAQSC-OAHLLOKOSA-N 2 2 395.263 3.489 20 0 GGADLP COc1ccc(Br)c([C@H](CO)[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000296043123 565300370 /nfs/dbraw/zinc/30/03/70/565300370.db2.gz FHZQJFJGDSLLBS-KRWDZBQOSA-N 2 2 382.302 3.018 20 0 GGADLP COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000296043123 565300373 /nfs/dbraw/zinc/30/03/73/565300373.db2.gz FHZQJFJGDSLLBS-KRWDZBQOSA-N 2 2 382.302 3.018 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000272874647 565300538 /nfs/dbraw/zinc/30/05/38/565300538.db2.gz MNNXKMMGTLZQJR-ZDUSSCGKSA-N 2 2 378.460 3.158 20 0 GGADLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000272971000 565303849 /nfs/dbraw/zinc/30/38/49/565303849.db2.gz BOZLALLEVASERF-UHFFFAOYSA-N 2 2 381.307 3.361 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000296278847 565310109 /nfs/dbraw/zinc/31/01/09/565310109.db2.gz DXJBSPWYSHQDPR-BFVZDQMLSA-N 2 2 391.151 3.425 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000296278847 565310115 /nfs/dbraw/zinc/31/01/15/565310115.db2.gz DXJBSPWYSHQDPR-BFVZDQMLSA-N 2 2 391.151 3.425 20 0 GGADLP CC[C@H]([NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)c1cnn(C)c1 ZINC000273412437 565319941 /nfs/dbraw/zinc/31/99/41/565319941.db2.gz IABCIABXKSIPKG-INIZCTEOSA-N 2 2 376.302 3.422 20 0 GGADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000187278604 565320878 /nfs/dbraw/zinc/32/08/78/565320878.db2.gz GBFVQCKVUMFQPF-UHFFFAOYSA-N 2 2 385.346 3.437 20 0 GGADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000187306912 565322062 /nfs/dbraw/zinc/32/20/62/565322062.db2.gz URAKKGFYFSVLLH-QZTJIDSGSA-N 2 2 397.357 3.315 20 0 GGADLP C[C@@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374327178 565332448 /nfs/dbraw/zinc/33/24/48/565332448.db2.gz HMUFRIVCGIDAGI-WBVHZDCISA-N 2 2 376.595 3.329 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374327178 565332455 /nfs/dbraw/zinc/33/24/55/565332455.db2.gz HMUFRIVCGIDAGI-WBVHZDCISA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374327177 565332895 /nfs/dbraw/zinc/33/28/95/565332895.db2.gz HMUFRIVCGIDAGI-RDJZCZTQSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374327177 565332897 /nfs/dbraw/zinc/33/28/97/565332897.db2.gz HMUFRIVCGIDAGI-RDJZCZTQSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(Br)ncc1F ZINC000273905370 565344551 /nfs/dbraw/zinc/34/45/51/565344551.db2.gz WPPIMZCAQIEPKQ-UVBJJODRSA-N 2 2 386.309 3.012 20 0 GGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000163671033 565349871 /nfs/dbraw/zinc/34/98/71/565349871.db2.gz ZAAVTOFQLUGMJD-KRWDZBQOSA-N 2 2 383.330 3.363 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ncc(Br)cc1F ZINC000275342577 565404732 /nfs/dbraw/zinc/40/47/32/565404732.db2.gz PAMGGAVJHBOFEN-KNXALSJPSA-N 2 2 386.309 3.012 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ncc(Br)cc1F ZINC000275342565 565404756 /nfs/dbraw/zinc/40/47/56/565404756.db2.gz PAMGGAVJHBOFEN-IUIKQTSFSA-N 2 2 386.309 3.012 20 0 GGADLP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(Br)c1 ZINC000375758722 565405332 /nfs/dbraw/zinc/40/53/32/565405332.db2.gz PQDFAVAIGCAEMO-AWEZNQCLSA-N 2 2 383.330 3.048 20 0 GGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CC2CCN(CC(F)(F)F)CC2)CC1 ZINC000188516256 565405893 /nfs/dbraw/zinc/40/58/93/565405893.db2.gz RSXISAYZTOSQOI-UHFFFAOYSA-N 2 2 375.401 3.267 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccc(F)cc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375813697 565406639 /nfs/dbraw/zinc/40/66/39/565406639.db2.gz KBJWOGUTNAWXJX-KBXCAEBGSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375813697 565406643 /nfs/dbraw/zinc/40/66/43/565406643.db2.gz KBJWOGUTNAWXJX-KBXCAEBGSA-N 2 2 384.337 3.046 20 0 GGADLP Cn1c[nH+]cc1CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000298582702 565421629 /nfs/dbraw/zinc/42/16/29/565421629.db2.gz XYHMRMOYAOZIQG-UHFFFAOYSA-N 2 2 391.313 3.076 20 0 GGADLP C[C@@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376203337 565425944 /nfs/dbraw/zinc/42/59/44/565425944.db2.gz MQJWRPVCGWGKGJ-CRAIPNDOSA-N 2 2 386.367 3.330 20 0 GGADLP C[C@@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376203337 565425945 /nfs/dbraw/zinc/42/59/45/565425945.db2.gz MQJWRPVCGWGKGJ-CRAIPNDOSA-N 2 2 386.367 3.330 20 0 GGADLP COc1cc(Br)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000376282969 565430339 /nfs/dbraw/zinc/43/03/39/565430339.db2.gz STMGQXCVORCKGS-SFHVURJKSA-N 2 2 396.373 3.058 20 0 GGADLP COc1cc(Br)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000376282969 565430344 /nfs/dbraw/zinc/43/03/44/565430344.db2.gz STMGQXCVORCKGS-SFHVURJKSA-N 2 2 396.373 3.058 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1OC ZINC000171942959 565458627 /nfs/dbraw/zinc/45/86/27/565458627.db2.gz GLGKEXYUVDJQHA-UHFFFAOYSA-N 2 2 380.286 3.500 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1Cl ZINC000277056993 565473709 /nfs/dbraw/zinc/47/37/09/565473709.db2.gz HPURZLCEIBPUFY-UHFFFAOYSA-N 2 2 398.878 3.250 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCSc3cccc(Cl)c3)C2)CC1 ZINC000377356201 565475980 /nfs/dbraw/zinc/47/59/80/565475980.db2.gz FQWSBEQEFCMKGB-MRXNPFEDSA-N 2 2 381.973 3.107 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCSc3cccc(Cl)c3)C2)CC1 ZINC000377356201 565475988 /nfs/dbraw/zinc/47/59/88/565475988.db2.gz FQWSBEQEFCMKGB-MRXNPFEDSA-N 2 2 381.973 3.107 20 0 GGADLP Brc1cccc2c(N3CC[C@@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000301471074 565488974 /nfs/dbraw/zinc/48/89/74/565488974.db2.gz SXSXLEISTYHMPQ-AWEZNQCLSA-N 2 2 376.298 3.156 20 0 GGADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301505638 565490994 /nfs/dbraw/zinc/49/09/94/565490994.db2.gz GTVZHPSNQCYGEG-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNc2ccc3cc(Br)ccc3n2)CC1 ZINC000301520953 565492703 /nfs/dbraw/zinc/49/27/03/565492703.db2.gz GSXPKKZJMLLZFX-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GGADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301534790 565493837 /nfs/dbraw/zinc/49/38/37/565493837.db2.gz QMNSFWZUDNPQMN-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP CCN1CC[NH+]([C@H](C)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301534790 565493843 /nfs/dbraw/zinc/49/38/43/565493843.db2.gz QMNSFWZUDNPQMN-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP Brc1ccc2[nH+]ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000301592010 565498344 /nfs/dbraw/zinc/49/83/44/565498344.db2.gz XSOMUBWFFITGJH-AWEZNQCLSA-N 2 2 376.298 3.156 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)ccc3F)C2)CC1 ZINC000377902801 565503780 /nfs/dbraw/zinc/50/37/80/565503780.db2.gz GEZFCVGGMOTBSI-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)CC1 ZINC000377902801 565503782 /nfs/dbraw/zinc/50/37/82/565503782.db2.gz GEZFCVGGMOTBSI-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378310335 565521581 /nfs/dbraw/zinc/52/15/81/565521581.db2.gz CEBWBAWRKVCFDN-MAUKXSAKSA-N 2 2 386.367 3.330 20 0 GGADLP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378310335 565521584 /nfs/dbraw/zinc/52/15/84/565521584.db2.gz CEBWBAWRKVCFDN-MAUKXSAKSA-N 2 2 386.367 3.330 20 0 GGADLP CN(Cc1csc(-c2ccsc2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378438474 565527718 /nfs/dbraw/zinc/52/77/18/565527718.db2.gz ZYCGQWXCJVQAQR-GOSISDBHSA-N 2 2 376.595 3.472 20 0 GGADLP CN(Cc1csc(-c2ccsc2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378438474 565527723 /nfs/dbraw/zinc/52/77/23/565527723.db2.gz ZYCGQWXCJVQAQR-GOSISDBHSA-N 2 2 376.595 3.472 20 0 GGADLP CN(Cc1csc(-c2ccsc2)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000378438475 565527811 /nfs/dbraw/zinc/52/78/11/565527811.db2.gz ZYCGQWXCJVQAQR-SFHVURJKSA-N 2 2 376.595 3.472 20 0 GGADLP CN(Cc1csc(-c2ccsc2)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000378438475 565527815 /nfs/dbraw/zinc/52/78/15/565527815.db2.gz ZYCGQWXCJVQAQR-SFHVURJKSA-N 2 2 376.595 3.472 20 0 GGADLP NC(=O)c1c[nH+]ccc1NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000302137708 565532767 /nfs/dbraw/zinc/53/27/67/565532767.db2.gz FLVIUPSQQAGNRP-UHFFFAOYSA-N 2 2 389.297 3.020 20 0 GGADLP C[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000302461360 565542001 /nfs/dbraw/zinc/54/20/01/565542001.db2.gz ADSWQNPLPWYJHT-ZDUSSCGKSA-N 2 2 378.314 3.279 20 0 GGADLP C[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[N@H+]1CC(C)(C)O ZINC000302461360 565542006 /nfs/dbraw/zinc/54/20/06/565542006.db2.gz ADSWQNPLPWYJHT-ZDUSSCGKSA-N 2 2 378.314 3.279 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Br)c1 ZINC000391521647 565561728 /nfs/dbraw/zinc/56/17/28/565561728.db2.gz SNXVGBBMROBFDJ-NVXWUHKLSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Br)c1 ZINC000391521647 565561732 /nfs/dbraw/zinc/56/17/32/565561732.db2.gz SNXVGBBMROBFDJ-NVXWUHKLSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Br)c1 ZINC000391521647 565561737 /nfs/dbraw/zinc/56/17/37/565561737.db2.gz SNXVGBBMROBFDJ-NVXWUHKLSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000391521647 565561739 /nfs/dbraw/zinc/56/17/39/565561739.db2.gz SNXVGBBMROBFDJ-NVXWUHKLSA-N 2 2 381.314 3.152 20 0 GGADLP Brc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)o1 ZINC000190877747 565566973 /nfs/dbraw/zinc/56/69/73/565566973.db2.gz GRTMJZQOMIYDHD-UHFFFAOYSA-N 2 2 395.297 3.043 20 0 GGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000278840959 565580820 /nfs/dbraw/zinc/58/08/20/565580820.db2.gz DFEDZZZBYQPSAW-KRWDZBQOSA-N 2 2 376.298 3.244 20 0 GGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000278840959 565580823 /nfs/dbraw/zinc/58/08/23/565580823.db2.gz DFEDZZZBYQPSAW-KRWDZBQOSA-N 2 2 376.298 3.244 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1CC[NH3+] ZINC000404278272 565583144 /nfs/dbraw/zinc/58/31/44/565583144.db2.gz OGDMNWSWEPSFET-SWLSCSKDSA-N 2 2 379.302 3.448 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1CC[NH3+] ZINC000404278272 565583148 /nfs/dbraw/zinc/58/31/48/565583148.db2.gz OGDMNWSWEPSFET-SWLSCSKDSA-N 2 2 379.302 3.448 20 0 GGADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1csc(Cl)c1 ZINC000191246873 565591410 /nfs/dbraw/zinc/59/14/10/565591410.db2.gz TWVAJFQBEJOCBO-AWEZNQCLSA-N 2 2 378.929 3.186 20 0 GGADLP Cc1nn(C)c(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1Br ZINC000279108559 565596159 /nfs/dbraw/zinc/59/61/59/565596159.db2.gz KCBZLNPPRDDJKI-AWEZNQCLSA-N 2 2 392.345 3.201 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173911643 565597790 /nfs/dbraw/zinc/59/77/90/565597790.db2.gz ZYFROHGVIRMXMD-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173911643 565597794 /nfs/dbraw/zinc/59/77/94/565597794.db2.gz ZYFROHGVIRMXMD-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173911643 565597798 /nfs/dbraw/zinc/59/77/98/565597798.db2.gz ZYFROHGVIRMXMD-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000173911643 565597803 /nfs/dbraw/zinc/59/78/03/565597803.db2.gz ZYFROHGVIRMXMD-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1nn(C)c(C[NH2+]CCCn2c(C)[nH+]c3ccccc32)c1Br ZINC000279226878 565603071 /nfs/dbraw/zinc/60/30/71/565603071.db2.gz YAIVYPLKHWLPIT-UHFFFAOYSA-N 2 2 376.302 3.329 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000191489878 565608218 /nfs/dbraw/zinc/60/82/18/565608218.db2.gz OASNOPMGYFPZJT-KRWDZBQOSA-N 2 2 393.329 3.147 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3cccc(Br)c3)no1)C2 ZINC000324535869 565618182 /nfs/dbraw/zinc/61/81/82/565618182.db2.gz YXAZZYHZIJENQP-GUYCJALGSA-N 2 2 377.286 3.060 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cccc(Br)c3)no1)C2 ZINC000324535869 565618189 /nfs/dbraw/zinc/61/81/89/565618189.db2.gz YXAZZYHZIJENQP-GUYCJALGSA-N 2 2 377.286 3.060 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174218026 565621019 /nfs/dbraw/zinc/62/10/19/565621019.db2.gz LFVFLWFPYXPZSB-HOTGVXAUSA-N 2 2 396.373 3.290 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174218026 565621021 /nfs/dbraw/zinc/62/10/21/565621021.db2.gz LFVFLWFPYXPZSB-HOTGVXAUSA-N 2 2 396.373 3.290 20 0 GGADLP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280065890 565649085 /nfs/dbraw/zinc/64/90/85/565649085.db2.gz KRVNIXXKRZTZIT-SRVKXCTJSA-N 2 2 394.368 3.164 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073958 565655956 /nfs/dbraw/zinc/65/59/56/565655956.db2.gz USLPVHRDZVPKMP-CRAIPNDOSA-N 2 2 394.357 3.218 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073958 565655961 /nfs/dbraw/zinc/65/59/61/565655961.db2.gz USLPVHRDZVPKMP-CRAIPNDOSA-N 2 2 394.357 3.218 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073958 565655964 /nfs/dbraw/zinc/65/59/64/565655964.db2.gz USLPVHRDZVPKMP-CRAIPNDOSA-N 2 2 394.357 3.218 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073958 565655971 /nfs/dbraw/zinc/65/59/71/565655971.db2.gz USLPVHRDZVPKMP-CRAIPNDOSA-N 2 2 394.357 3.218 20 0 GGADLP CC(C)[NH+]1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280171075 565656324 /nfs/dbraw/zinc/65/63/24/565656324.db2.gz RDXZUPCQSKOIDA-LLVKDONJSA-N 2 2 394.368 3.164 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCS[C@@H](C)CC3)n2)CC1 ZINC000192170225 565665354 /nfs/dbraw/zinc/66/53/54/565665354.db2.gz JSJKPMUXHHQISV-HNNXBMFYSA-N 2 2 382.599 3.141 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCS[C@@H](C)CC3)n2)CC1 ZINC000192170225 565665356 /nfs/dbraw/zinc/66/53/56/565665356.db2.gz JSJKPMUXHHQISV-HNNXBMFYSA-N 2 2 382.599 3.141 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NCc3c(F)cccc3Br)CC2)CC1 ZINC000192522444 565696943 /nfs/dbraw/zinc/69/69/43/565696943.db2.gz QMJROZYBHKDQGO-UHFFFAOYSA-N 2 2 384.337 3.236 20 0 GGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192622180 565702998 /nfs/dbraw/zinc/70/29/98/565702998.db2.gz TTZQNWMNHLKOFU-QZTJIDSGSA-N 2 2 385.321 3.446 20 0 GGADLP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192710129 565706372 /nfs/dbraw/zinc/70/63/72/565706372.db2.gz BFDJLRZZKKRLLE-INIZCTEOSA-N 2 2 393.300 3.445 20 0 GGADLP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192710129 565706376 /nfs/dbraw/zinc/70/63/76/565706376.db2.gz BFDJLRZZKKRLLE-INIZCTEOSA-N 2 2 393.300 3.445 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000176283185 565761635 /nfs/dbraw/zinc/76/16/35/565761635.db2.gz BBRUHPDJCQHRTL-INIZCTEOSA-N 2 2 396.373 3.071 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000176283185 565761642 /nfs/dbraw/zinc/76/16/42/565761642.db2.gz BBRUHPDJCQHRTL-INIZCTEOSA-N 2 2 396.373 3.071 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000176283185 565761646 /nfs/dbraw/zinc/76/16/46/565761646.db2.gz BBRUHPDJCQHRTL-INIZCTEOSA-N 2 2 396.373 3.071 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000176283185 565761651 /nfs/dbraw/zinc/76/16/51/565761651.db2.gz BBRUHPDJCQHRTL-INIZCTEOSA-N 2 2 396.373 3.071 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332165010 565811486 /nfs/dbraw/zinc/81/14/86/565811486.db2.gz PGYMAQHONQKUEE-CHWSQXEVSA-N 2 2 377.286 3.379 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332165010 565811491 /nfs/dbraw/zinc/81/14/91/565811491.db2.gz PGYMAQHONQKUEE-CHWSQXEVSA-N 2 2 377.286 3.379 20 0 GGADLP C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177116912 565829632 /nfs/dbraw/zinc/82/96/32/565829632.db2.gz BHNSGXZXWFWWHQ-AWEZNQCLSA-N 2 2 386.367 3.314 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000177158518 565831830 /nfs/dbraw/zinc/83/18/30/565831830.db2.gz IIGQPXGLDGHURS-HZPDHXFCSA-N 2 2 384.351 3.239 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1 ZINC000177158532 565832208 /nfs/dbraw/zinc/83/22/08/565832208.db2.gz IIGQPXGLDGHURS-CVEARBPZSA-N 2 2 384.351 3.239 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Br)c1 ZINC000284519165 565857512 /nfs/dbraw/zinc/85/75/12/565857512.db2.gz ZASCZORGRFMFFW-UHFFFAOYSA-N 2 2 378.270 3.269 20 0 GGADLP C[NH+]1CCC([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1 ZINC000218571304 565899653 /nfs/dbraw/zinc/89/96/53/565899653.db2.gz DSELVYBDYKNODW-UHFFFAOYSA-N 2 2 378.108 3.101 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000333866686 565900522 /nfs/dbraw/zinc/90/05/22/565900522.db2.gz RDVVPUDBHDGGRG-QAPCUYQASA-N 2 2 376.298 3.330 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000414318541 565910452 /nfs/dbraw/zinc/91/04/52/565910452.db2.gz MBKSXSKMGFCRSA-CQSZACIVSA-N 2 2 384.592 3.215 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000414318541 565910458 /nfs/dbraw/zinc/91/04/58/565910458.db2.gz MBKSXSKMGFCRSA-CQSZACIVSA-N 2 2 384.592 3.215 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000414318539 565911187 /nfs/dbraw/zinc/91/11/87/565911187.db2.gz MBKSXSKMGFCRSA-AWEZNQCLSA-N 2 2 384.592 3.215 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000414318539 565911189 /nfs/dbraw/zinc/91/11/89/565911189.db2.gz MBKSXSKMGFCRSA-AWEZNQCLSA-N 2 2 384.592 3.215 20 0 GGADLP CC[N@H+]1C[C@H](NC2CC[NH+](Cc3cccc(Br)c3)CC2)[C@@H](C)C1 ZINC000414356044 565915080 /nfs/dbraw/zinc/91/50/80/565915080.db2.gz YGTKAMHZTMZTMU-KXBFYZLASA-N 2 2 380.374 3.343 20 0 GGADLP CC[N@@H+]1C[C@H](NC2CC[NH+](Cc3cccc(Br)c3)CC2)[C@@H](C)C1 ZINC000414356044 565915082 /nfs/dbraw/zinc/91/50/82/565915082.db2.gz YGTKAMHZTMZTMU-KXBFYZLASA-N 2 2 380.374 3.343 20 0 GGADLP CC[N@@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000414356035 565915241 /nfs/dbraw/zinc/91/52/41/565915241.db2.gz YGTKAMHZTMZTMU-BEFAXECRSA-N 2 2 380.374 3.343 20 0 GGADLP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000414356035 565915243 /nfs/dbraw/zinc/91/52/43/565915243.db2.gz YGTKAMHZTMZTMU-BEFAXECRSA-N 2 2 380.374 3.343 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC[N@@H+]1C ZINC000235349640 565936862 /nfs/dbraw/zinc/93/68/62/565936862.db2.gz DSOWRXLZDRLKQR-MWLCHTKSSA-N 2 2 392.135 3.490 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC[N@H+]1C ZINC000235349640 565936866 /nfs/dbraw/zinc/93/68/66/565936866.db2.gz DSOWRXLZDRLKQR-MWLCHTKSSA-N 2 2 392.135 3.490 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(C)ccc2Br)CC1 ZINC000414514463 565945477 /nfs/dbraw/zinc/94/54/77/565945477.db2.gz LRBMXPUVVSBFQJ-UHFFFAOYSA-N 2 2 383.330 3.265 20 0 GGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000414746832 565958016 /nfs/dbraw/zinc/95/80/16/565958016.db2.gz MEAYKUSRNJBNMG-UHFFFAOYSA-N 2 2 382.346 3.488 20 0 GGADLP CSc1ccc([C@H](CNC(=O)[C@@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000237427477 565959191 /nfs/dbraw/zinc/95/91/91/565959191.db2.gz HMLQRFXMBFZRBZ-DYVFJYSZSA-N 2 2 375.563 3.033 20 0 GGADLP CSc1ccc([C@H](CNC(=O)[C@@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000237427477 565959196 /nfs/dbraw/zinc/95/91/96/565959196.db2.gz HMLQRFXMBFZRBZ-DYVFJYSZSA-N 2 2 375.563 3.033 20 0 GGADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000414794882 565961035 /nfs/dbraw/zinc/96/10/35/565961035.db2.gz GBEBVQVLYSMCRJ-BXKDBHETSA-N 2 2 377.124 3.214 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414811394 565962607 /nfs/dbraw/zinc/96/26/07/565962607.db2.gz WBNLNOIVPFUNJZ-LBPRGKRZSA-N 2 2 378.108 3.047 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H](C[NH3+])C1CC1 ZINC000414811393 565962896 /nfs/dbraw/zinc/96/28/96/565962896.db2.gz WBNLNOIVPFUNJZ-GFCCVEGCSA-N 2 2 378.108 3.047 20 0 GGADLP CCOc1cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc(Br)c1OC(F)F ZINC000414846157 565963628 /nfs/dbraw/zinc/96/36/28/565963628.db2.gz NEFUEXTYFIXVEG-LLVKDONJSA-N 2 2 379.245 3.291 20 0 GGADLP CCOc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)cc(Br)c1OC(F)F ZINC000414884785 565964067 /nfs/dbraw/zinc/96/40/67/565964067.db2.gz BGILEBUKXREJKT-LBPRGKRZSA-N 2 2 379.245 3.276 20 0 GGADLP CCOc1cc(C[NH2+][C@H]2CCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000414867482 565964194 /nfs/dbraw/zinc/96/41/94/565964194.db2.gz OIRMYZLKCSFISK-NSHDSACASA-N 2 2 379.245 3.291 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414896079 565965065 /nfs/dbraw/zinc/96/50/65/565965065.db2.gz ODIGASUGUNTLMW-LBPRGKRZSA-N 2 2 378.108 3.047 20 0 GGADLP COc1cc(C[NH2+][C@H](C)C[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000414940387 565965380 /nfs/dbraw/zinc/96/53/80/565965380.db2.gz ZYIMSGJXUSUKJS-CYBMUJFWSA-N 2 2 379.298 3.474 20 0 GGADLP COc1cc(C[NH2+][C@H](C)C[NH3+])cc(Br)c1OCc1ccccc1 ZINC000414930992 565965705 /nfs/dbraw/zinc/96/57/05/565965705.db2.gz QBQCUXOSSUYWPU-CYBMUJFWSA-N 2 2 379.298 3.474 20 0 GGADLP COC[C@]1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCC[NH2+]1 ZINC000414949826 565966706 /nfs/dbraw/zinc/96/67/06/565966706.db2.gz DICLPLCPAOPIAU-CQSZACIVSA-N 2 2 381.236 3.326 20 0 GGADLP COc1cc(C[NH2+][C@@H](C)C[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000414949633 565966892 /nfs/dbraw/zinc/96/68/92/565966892.db2.gz ZYIMSGJXUSUKJS-ZDUSSCGKSA-N 2 2 379.298 3.474 20 0 GGADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000414975938 565967092 /nfs/dbraw/zinc/96/70/92/565967092.db2.gz NBDMTBVASXMWJK-CYBMUJFWSA-N 2 2 380.355 3.171 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415065445 565971964 /nfs/dbraw/zinc/97/19/64/565971964.db2.gz GJPIVWQZDSZLLY-UHFFFAOYSA-N 2 2 392.135 3.452 20 0 GGADLP Brc1ccc(OCc2ccccc2)c(C[NH2+]C[C@@H]2C[NH2+]CCO2)c1 ZINC000415098329 565972859 /nfs/dbraw/zinc/97/28/59/565972859.db2.gz VTEWDVYTPONGNN-SFHVURJKSA-N 2 2 391.309 3.106 20 0 GGADLP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000237873298 565973642 /nfs/dbraw/zinc/97/36/42/565973642.db2.gz OQKCPFVHZKCEOJ-LSDHHAIUSA-N 2 2 379.302 3.011 20 0 GGADLP [NH3+]C1(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000237895360 565973681 /nfs/dbraw/zinc/97/36/81/565973681.db2.gz RHJROBPYTDZJIG-MRXNPFEDSA-N 2 2 375.925 3.108 20 0 GGADLP [NH3+]C1(C(=O)NC[C@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000237895360 565973685 /nfs/dbraw/zinc/97/36/85/565973685.db2.gz RHJROBPYTDZJIG-MRXNPFEDSA-N 2 2 375.925 3.108 20 0 GGADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c(F)ccc(Br)c3F)CC2)C1 ZINC000415118327 565974435 /nfs/dbraw/zinc/97/44/35/565974435.db2.gz CZVKTUCLXVUZQX-LRDDRELGSA-N 2 2 389.284 3.446 20 0 GGADLP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)o1 ZINC000237961392 565976684 /nfs/dbraw/zinc/97/66/84/565976684.db2.gz IDEYFMBDAIMMAA-UHFFFAOYSA-N 2 2 382.291 3.440 20 0 GGADLP O[C@@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1)C[NH+]1CCCC1 ZINC000238065608 565979511 /nfs/dbraw/zinc/97/95/11/565979511.db2.gz RJPUWEYKMSEXLX-INIZCTEOSA-N 2 2 379.298 3.255 20 0 GGADLP COc1cc(Br)c(C[NH2+]Cc2cccc3[nH+]ccn32)cc1OC ZINC000179423912 565979711 /nfs/dbraw/zinc/97/97/11/565979711.db2.gz YAEDOSYGEZKEHA-UHFFFAOYSA-N 2 2 376.254 3.404 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(F)cc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000238138117 565981486 /nfs/dbraw/zinc/98/14/86/565981486.db2.gz ZNSBKJRCNXCNEC-GOSISDBHSA-N 2 2 393.300 3.097 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(F)cc1Br)C[N@H+]1CCc2ccccc2C1 ZINC000238138117 565981494 /nfs/dbraw/zinc/98/14/94/565981494.db2.gz ZNSBKJRCNXCNEC-GOSISDBHSA-N 2 2 393.300 3.097 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704958 565982250 /nfs/dbraw/zinc/98/22/50/565982250.db2.gz WDDWDTYDZMJATJ-RDTXWAMCSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704958 565982253 /nfs/dbraw/zinc/98/22/53/565982253.db2.gz WDDWDTYDZMJATJ-RDTXWAMCSA-N 2 2 384.337 3.046 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245441867 565989849 /nfs/dbraw/zinc/98/98/49/565989849.db2.gz VURYSXFOIINOLX-CVEARBPZSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245441867 565989852 /nfs/dbraw/zinc/98/98/52/565989852.db2.gz VURYSXFOIINOLX-CVEARBPZSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245441867 565989860 /nfs/dbraw/zinc/98/98/60/565989860.db2.gz VURYSXFOIINOLX-CVEARBPZSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245441867 565989864 /nfs/dbraw/zinc/98/98/64/565989864.db2.gz VURYSXFOIINOLX-CVEARBPZSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000245429589 565990548 /nfs/dbraw/zinc/99/05/48/565990548.db2.gz NEDMWFBAKHENMQ-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000245429589 565990549 /nfs/dbraw/zinc/99/05/49/565990549.db2.gz NEDMWFBAKHENMQ-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000245429589 565990550 /nfs/dbraw/zinc/99/05/50/565990550.db2.gz NEDMWFBAKHENMQ-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000245429589 565990551 /nfs/dbraw/zinc/99/05/51/565990551.db2.gz NEDMWFBAKHENMQ-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245438599 565990886 /nfs/dbraw/zinc/99/08/86/565990886.db2.gz SFJALWLDMJEIGH-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245438599 565990891 /nfs/dbraw/zinc/99/08/91/565990891.db2.gz SFJALWLDMJEIGH-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245438599 565990894 /nfs/dbraw/zinc/99/08/94/565990894.db2.gz SFJALWLDMJEIGH-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245438599 565990900 /nfs/dbraw/zinc/99/09/00/565990900.db2.gz SFJALWLDMJEIGH-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000245468387 565991774 /nfs/dbraw/zinc/99/17/74/565991774.db2.gz ZYFROHGVIRMXMD-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000245468387 565991777 /nfs/dbraw/zinc/99/17/77/565991777.db2.gz ZYFROHGVIRMXMD-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000245468387 565991781 /nfs/dbraw/zinc/99/17/81/565991781.db2.gz ZYFROHGVIRMXMD-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000245468387 565991785 /nfs/dbraw/zinc/99/17/85/565991785.db2.gz ZYFROHGVIRMXMD-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179631493 565995318 /nfs/dbraw/zinc/99/53/18/565995318.db2.gz MZCZRFQKQOCFCL-OAHLLOKOSA-N 2 2 377.330 3.327 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179631493 565995321 /nfs/dbraw/zinc/99/53/21/565995321.db2.gz MZCZRFQKQOCFCL-OAHLLOKOSA-N 2 2 377.330 3.327 20 0 GGADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245722644 566002957 /nfs/dbraw/zinc/00/29/57/566002957.db2.gz RMNDRNHIZOACLR-YVEFUNNKSA-N 2 2 381.904 3.422 20 0 GGADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245722644 566002958 /nfs/dbraw/zinc/00/29/58/566002958.db2.gz RMNDRNHIZOACLR-YVEFUNNKSA-N 2 2 381.904 3.422 20 0 GGADLP Brc1ccc2c(c1)[C@@H]([N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000246102215 566016890 /nfs/dbraw/zinc/01/68/90/566016890.db2.gz JHROUPYWRFUSOO-KXBFYZLASA-N 2 2 379.342 3.481 20 0 GGADLP Brc1ccc2c(c1)[C@@H]([N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000246102215 566016896 /nfs/dbraw/zinc/01/68/96/566016896.db2.gz JHROUPYWRFUSOO-KXBFYZLASA-N 2 2 379.342 3.481 20 0 GGADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cc(Cl)ccc1Cl ZINC000363736329 566018034 /nfs/dbraw/zinc/01/80/34/566018034.db2.gz JEVXCPNDMATCOY-OAHLLOKOSA-N 2 2 386.367 3.441 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1cc(Cl)ccc1Cl ZINC000363736329 566018039 /nfs/dbraw/zinc/01/80/39/566018039.db2.gz JEVXCPNDMATCOY-OAHLLOKOSA-N 2 2 386.367 3.441 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246243705 566022848 /nfs/dbraw/zinc/02/28/48/566022848.db2.gz UYIGISUGMHGBKK-GJZGRUSLSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246243705 566022852 /nfs/dbraw/zinc/02/28/52/566022852.db2.gz UYIGISUGMHGBKK-GJZGRUSLSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000246252161 566023913 /nfs/dbraw/zinc/02/39/13/566023913.db2.gz WJXFNYRHFGNOLG-CVEARBPZSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000246252161 566023917 /nfs/dbraw/zinc/02/39/17/566023917.db2.gz WJXFNYRHFGNOLG-CVEARBPZSA-N 2 2 394.357 3.044 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCSc3ccc(Cl)cc3)C2)CC1 ZINC000364209862 566039867 /nfs/dbraw/zinc/03/98/67/566039867.db2.gz XVACJLAHQKAAQG-MRXNPFEDSA-N 2 2 381.973 3.107 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCSc3ccc(Cl)cc3)C2)CC1 ZINC000364209862 566039871 /nfs/dbraw/zinc/03/98/71/566039871.db2.gz XVACJLAHQKAAQG-MRXNPFEDSA-N 2 2 381.973 3.107 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246944343 566046875 /nfs/dbraw/zinc/04/68/75/566046875.db2.gz HAKFAFODWFRRNW-IOASZLSFSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246944343 566046881 /nfs/dbraw/zinc/04/68/81/566046881.db2.gz HAKFAFODWFRRNW-IOASZLSFSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000246944361 566047217 /nfs/dbraw/zinc/04/72/17/566047217.db2.gz HAKFAFODWFRRNW-WWGRRREGSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000246944361 566047220 /nfs/dbraw/zinc/04/72/20/566047220.db2.gz HAKFAFODWFRRNW-WWGRRREGSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247008583 566048531 /nfs/dbraw/zinc/04/85/31/566048531.db2.gz PXAQLXJESNDQTA-JKIFEVAISA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247008583 566048535 /nfs/dbraw/zinc/04/85/35/566048535.db2.gz PXAQLXJESNDQTA-JKIFEVAISA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247008583 566048540 /nfs/dbraw/zinc/04/85/40/566048540.db2.gz PXAQLXJESNDQTA-JKIFEVAISA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247008583 566048542 /nfs/dbraw/zinc/04/85/42/566048542.db2.gz PXAQLXJESNDQTA-JKIFEVAISA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000246983725 566049087 /nfs/dbraw/zinc/04/90/87/566049087.db2.gz TVKRBFSSFUXALQ-MJBXVCDLSA-N 2 2 381.314 3.498 20 0 GGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000246983725 566049090 /nfs/dbraw/zinc/04/90/90/566049090.db2.gz TVKRBFSSFUXALQ-MJBXVCDLSA-N 2 2 381.314 3.498 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1Br ZINC000247132245 566053246 /nfs/dbraw/zinc/05/32/46/566053246.db2.gz WQXGWGBSYAGTOI-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1Br ZINC000247132245 566053252 /nfs/dbraw/zinc/05/32/52/566053252.db2.gz WQXGWGBSYAGTOI-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000247132245 566053257 /nfs/dbraw/zinc/05/32/57/566053257.db2.gz WQXGWGBSYAGTOI-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000247132245 566053258 /nfs/dbraw/zinc/05/32/58/566053258.db2.gz WQXGWGBSYAGTOI-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1Br ZINC000247132256 566054060 /nfs/dbraw/zinc/05/40/60/566054060.db2.gz WQXGWGBSYAGTOI-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1Br ZINC000247132256 566054065 /nfs/dbraw/zinc/05/40/65/566054065.db2.gz WQXGWGBSYAGTOI-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1Br ZINC000247132256 566054069 /nfs/dbraw/zinc/05/40/69/566054069.db2.gz WQXGWGBSYAGTOI-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000247132256 566054075 /nfs/dbraw/zinc/05/40/75/566054075.db2.gz WQXGWGBSYAGTOI-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 ZINC000180329258 566054964 /nfs/dbraw/zinc/05/49/64/566054964.db2.gz RTYUWIKBVLCHIW-UHFFFAOYSA-N 2 2 377.838 3.115 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942448 566068197 /nfs/dbraw/zinc/06/81/97/566068197.db2.gz DCNGSSMRVOXHNZ-VXGBXAGGSA-N 2 2 381.274 3.008 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942448 566068203 /nfs/dbraw/zinc/06/82/03/566068203.db2.gz DCNGSSMRVOXHNZ-VXGBXAGGSA-N 2 2 381.274 3.008 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942448 566068208 /nfs/dbraw/zinc/06/82/08/566068208.db2.gz DCNGSSMRVOXHNZ-VXGBXAGGSA-N 2 2 381.274 3.008 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942448 566068214 /nfs/dbraw/zinc/06/82/14/566068214.db2.gz DCNGSSMRVOXHNZ-VXGBXAGGSA-N 2 2 381.274 3.008 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Br)c1OC ZINC000248138626 566073437 /nfs/dbraw/zinc/07/34/37/566073437.db2.gz PJQCCHWKRIUWLY-UKRRQHHQSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(Br)c1OC ZINC000248138626 566073440 /nfs/dbraw/zinc/07/34/40/566073440.db2.gz PJQCCHWKRIUWLY-UKRRQHHQSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(Br)c1OC ZINC000248138626 566073445 /nfs/dbraw/zinc/07/34/45/566073445.db2.gz PJQCCHWKRIUWLY-UKRRQHHQSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(Br)c1OC ZINC000248138626 566073447 /nfs/dbraw/zinc/07/34/47/566073447.db2.gz PJQCCHWKRIUWLY-UKRRQHHQSA-N 2 2 383.330 3.382 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165926 566073824 /nfs/dbraw/zinc/07/38/24/566073824.db2.gz SXMLGPCKBIIEJE-XJKSGUPXSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165926 566073829 /nfs/dbraw/zinc/07/38/29/566073829.db2.gz SXMLGPCKBIIEJE-XJKSGUPXSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165926 566073834 /nfs/dbraw/zinc/07/38/34/566073834.db2.gz SXMLGPCKBIIEJE-XJKSGUPXSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165926 566073841 /nfs/dbraw/zinc/07/38/41/566073841.db2.gz SXMLGPCKBIIEJE-XJKSGUPXSA-N 2 2 381.314 3.136 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248185140 566074850 /nfs/dbraw/zinc/07/48/50/566074850.db2.gz XDWAPCCRKGCUTF-KEYYUXOJSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248185140 566074851 /nfs/dbraw/zinc/07/48/51/566074851.db2.gz XDWAPCCRKGCUTF-KEYYUXOJSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248185140 566074853 /nfs/dbraw/zinc/07/48/53/566074853.db2.gz XDWAPCCRKGCUTF-KEYYUXOJSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248185140 566074854 /nfs/dbraw/zinc/07/48/54/566074854.db2.gz XDWAPCCRKGCUTF-KEYYUXOJSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248185138 566075303 /nfs/dbraw/zinc/07/53/03/566075303.db2.gz XDWAPCCRKGCUTF-CPUCHLNUSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248185138 566075308 /nfs/dbraw/zinc/07/53/08/566075308.db2.gz XDWAPCCRKGCUTF-CPUCHLNUSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248185138 566075315 /nfs/dbraw/zinc/07/53/15/566075315.db2.gz XDWAPCCRKGCUTF-CPUCHLNUSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248185138 566075319 /nfs/dbraw/zinc/07/53/19/566075319.db2.gz XDWAPCCRKGCUTF-CPUCHLNUSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ncc(Br)s1 ZINC000248438966 566078596 /nfs/dbraw/zinc/07/85/96/566078596.db2.gz IEMAHDAJULPAIE-SWLSCSKDSA-N 2 2 396.354 3.323 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ncc(Br)s1 ZINC000248438966 566078600 /nfs/dbraw/zinc/07/86/00/566078600.db2.gz IEMAHDAJULPAIE-SWLSCSKDSA-N 2 2 396.354 3.323 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249378912 566100557 /nfs/dbraw/zinc/10/05/57/566100557.db2.gz USLPVHRDZVPKMP-YJBOKZPZSA-N 2 2 394.357 3.218 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249378912 566100560 /nfs/dbraw/zinc/10/05/60/566100560.db2.gz USLPVHRDZVPKMP-YJBOKZPZSA-N 2 2 394.357 3.218 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249378912 566100563 /nfs/dbraw/zinc/10/05/63/566100563.db2.gz USLPVHRDZVPKMP-YJBOKZPZSA-N 2 2 394.357 3.218 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249378912 566100565 /nfs/dbraw/zinc/10/05/65/566100565.db2.gz USLPVHRDZVPKMP-YJBOKZPZSA-N 2 2 394.357 3.218 20 0 GGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000289130811 566107687 /nfs/dbraw/zinc/10/76/87/566107687.db2.gz DXFLQIWSWAXVMC-KSSFIOAISA-N 2 2 391.357 3.143 20 0 GGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000289130811 566107693 /nfs/dbraw/zinc/10/76/93/566107693.db2.gz DXFLQIWSWAXVMC-KSSFIOAISA-N 2 2 391.357 3.143 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181077015 566112239 /nfs/dbraw/zinc/11/22/39/566112239.db2.gz HKGJHQMVRFZEHP-HNNXBMFYSA-N 2 2 393.329 3.015 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181077015 566112247 /nfs/dbraw/zinc/11/22/47/566112247.db2.gz HKGJHQMVRFZEHP-HNNXBMFYSA-N 2 2 393.329 3.015 20 0 GGADLP C[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000252802886 566116762 /nfs/dbraw/zinc/11/67/62/566116762.db2.gz VSILQMZQMXTIPH-XJKSGUPXSA-N 2 2 392.297 3.500 20 0 GGADLP C[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000252802886 566116766 /nfs/dbraw/zinc/11/67/66/566116766.db2.gz VSILQMZQMXTIPH-XJKSGUPXSA-N 2 2 392.297 3.500 20 0 GGADLP Fc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c(Cl)c1Cl ZINC000261646224 566127304 /nfs/dbraw/zinc/12/73/04/566127304.db2.gz AQZVPKQKKFDUAA-UHFFFAOYSA-N 2 2 384.286 3.207 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277762 566129519 /nfs/dbraw/zinc/12/95/19/566129519.db2.gz OLYXVLXULHLQJW-TYNCELHUSA-N 2 2 378.318 3.053 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277762 566129521 /nfs/dbraw/zinc/12/95/21/566129521.db2.gz OLYXVLXULHLQJW-TYNCELHUSA-N 2 2 378.318 3.053 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000261723371 566130791 /nfs/dbraw/zinc/13/07/91/566130791.db2.gz MELDEVXJROPZBG-INIZCTEOSA-N 2 2 380.330 3.160 20 0 GGADLP Clc1cnc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000181341685 566133739 /nfs/dbraw/zinc/13/37/39/566133739.db2.gz ZMYWABDKHPTERC-UHFFFAOYSA-N 2 2 381.307 3.416 20 0 GGADLP [NH3+]CC[C@H]1CCC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000261807528 566134811 /nfs/dbraw/zinc/13/48/11/566134811.db2.gz HKEYDFKRFDTJEI-SNVBAGLBSA-N 2 2 380.220 3.130 20 0 GGADLP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000261807528 566134815 /nfs/dbraw/zinc/13/48/15/566134815.db2.gz HKEYDFKRFDTJEI-SNVBAGLBSA-N 2 2 380.220 3.130 20 0 GGADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2csc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261829571 566136129 /nfs/dbraw/zinc/13/61/29/566136129.db2.gz IYLVDNMHEKQHIP-AAEUAGOBSA-N 2 2 376.353 3.135 20 0 GGADLP O=C(NC[C@@H]1CCC[N@H+](Cc2csc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261829571 566136135 /nfs/dbraw/zinc/13/61/35/566136135.db2.gz IYLVDNMHEKQHIP-AAEUAGOBSA-N 2 2 376.353 3.135 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cnc3ccc(Br)cn23)C[C@H]1c1ccccc1 ZINC000261851292 566137975 /nfs/dbraw/zinc/13/79/75/566137975.db2.gz QEMXSJOLPWRBJH-QAPCUYQASA-N 2 2 385.309 3.271 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc3ccc(Br)cn23)C[C@H]1c1ccccc1 ZINC000261851292 566137980 /nfs/dbraw/zinc/13/79/80/566137980.db2.gz QEMXSJOLPWRBJH-QAPCUYQASA-N 2 2 385.309 3.271 20 0 GGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000261904624 566140585 /nfs/dbraw/zinc/14/05/85/566140585.db2.gz WWYSLBHKAGQTOP-CQSZACIVSA-N 2 2 394.235 3.077 20 0 GGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000261904624 566140591 /nfs/dbraw/zinc/14/05/91/566140591.db2.gz WWYSLBHKAGQTOP-CQSZACIVSA-N 2 2 394.235 3.077 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)Cn2cc(Br)cn2)CC1 ZINC000181589483 566150851 /nfs/dbraw/zinc/15/08/51/566150851.db2.gz MCCVKSHKMXFCSO-LSDHHAIUSA-N 2 2 392.345 3.244 20 0 GGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000290307570 566165242 /nfs/dbraw/zinc/16/52/42/566165242.db2.gz ILMBMVFUVSNXCK-MRXNPFEDSA-N 2 2 379.298 3.115 20 0 GGADLP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ncc(Br)s1 ZINC000290334286 566166661 /nfs/dbraw/zinc/16/66/61/566166661.db2.gz PADIOCXUYOKGPS-LBPRGKRZSA-N 2 2 399.358 3.482 20 0 GGADLP COc1cc(Br)ccc1CCC[N@@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000181913668 566172937 /nfs/dbraw/zinc/17/29/37/566172937.db2.gz MFTIZKONBYCQOF-INIZCTEOSA-N 2 2 397.357 3.044 20 0 GGADLP COc1cc(Br)ccc1CCC[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000181913668 566172944 /nfs/dbraw/zinc/17/29/44/566172944.db2.gz MFTIZKONBYCQOF-INIZCTEOSA-N 2 2 397.357 3.044 20 0 GGADLP Fc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(I)c1 ZINC000417750199 566174392 /nfs/dbraw/zinc/17/43/92/566174392.db2.gz KHJPPIPJAPCSRY-UHFFFAOYSA-N 2 2 385.224 3.464 20 0 GGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417875012 566178269 /nfs/dbraw/zinc/17/82/69/566178269.db2.gz LAGGFDMMSGZKRB-LBPRGKRZSA-N 2 2 376.257 3.252 20 0 GGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417875012 566178276 /nfs/dbraw/zinc/17/82/76/566178276.db2.gz LAGGFDMMSGZKRB-LBPRGKRZSA-N 2 2 376.257 3.252 20 0 GGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417957610 566185341 /nfs/dbraw/zinc/18/53/41/566185341.db2.gz FPNWACNRIRIOBL-UHFFFAOYSA-N 2 2 376.257 3.394 20 0 GGADLP CCn1c[nH+]cc1C[NH2+][C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O ZINC000417986238 566186516 /nfs/dbraw/zinc/18/65/16/566186516.db2.gz DZZXMQCKEPJHOT-KRWDZBQOSA-N 2 2 391.313 3.259 20 0 GGADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290922289 566196408 /nfs/dbraw/zinc/19/64/08/566196408.db2.gz QSTHRNGBEAEFDO-IAGOWNOFSA-N 2 2 380.319 3.361 20 0 GGADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290922289 566196414 /nfs/dbraw/zinc/19/64/14/566196414.db2.gz QSTHRNGBEAEFDO-IAGOWNOFSA-N 2 2 380.319 3.361 20 0 GGADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290922292 566196439 /nfs/dbraw/zinc/19/64/39/566196439.db2.gz QSTHRNGBEAEFDO-SJORKVTESA-N 2 2 380.319 3.361 20 0 GGADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290922292 566196445 /nfs/dbraw/zinc/19/64/45/566196445.db2.gz QSTHRNGBEAEFDO-SJORKVTESA-N 2 2 380.319 3.361 20 0 GGADLP COC1(C(F)(F)F)CC[NH+](Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000418097223 566197268 /nfs/dbraw/zinc/19/72/68/566197268.db2.gz JTYZBNZSULMNPH-UHFFFAOYSA-N 2 2 377.476 3.453 20 0 GGADLP COC1(C(F)(F)F)CC[NH+](Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000418097223 566197271 /nfs/dbraw/zinc/19/72/71/566197271.db2.gz JTYZBNZSULMNPH-UHFFFAOYSA-N 2 2 377.476 3.453 20 0 GGADLP Brc1cncc(Br)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000290961523 566198269 /nfs/dbraw/zinc/19/82/69/566198269.db2.gz WKNDCBCGVHFRLY-SNVBAGLBSA-N 2 2 389.135 3.181 20 0 GGADLP Brc1cncc(Br)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000290961523 566198271 /nfs/dbraw/zinc/19/82/71/566198271.db2.gz WKNDCBCGVHFRLY-SNVBAGLBSA-N 2 2 389.135 3.181 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cn(C)nc3C(F)F)[nH+]c12 ZINC000291080240 566203533 /nfs/dbraw/zinc/20/35/33/566203533.db2.gz UUDDKJRDNIKSMT-UHFFFAOYSA-N 2 2 398.255 3.409 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000367698722 566212180 /nfs/dbraw/zinc/21/21/80/566212180.db2.gz FOSJZTWTBSCBMQ-LBPRGKRZSA-N 2 2 377.279 3.297 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000367698722 566212185 /nfs/dbraw/zinc/21/21/85/566212185.db2.gz FOSJZTWTBSCBMQ-LBPRGKRZSA-N 2 2 377.279 3.297 20 0 GGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Br)c1 ZINC000368015210 566226793 /nfs/dbraw/zinc/22/67/93/566226793.db2.gz CBOYUADIVHLRMS-ZTFGCOKTSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(Br)c1 ZINC000368015210 566226797 /nfs/dbraw/zinc/22/67/97/566226797.db2.gz CBOYUADIVHLRMS-ZTFGCOKTSA-N 2 2 383.330 3.141 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368021630 566227448 /nfs/dbraw/zinc/22/74/48/566227448.db2.gz ZSXFTPFWKRNFBD-GUYCJALGSA-N 2 2 379.551 3.423 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368021630 566227451 /nfs/dbraw/zinc/22/74/51/566227451.db2.gz ZSXFTPFWKRNFBD-GUYCJALGSA-N 2 2 379.551 3.423 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368020708 566227482 /nfs/dbraw/zinc/22/74/82/566227482.db2.gz WVLDTBKNIZFBKW-XJKSGUPXSA-N 2 2 379.551 3.423 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368020708 566227487 /nfs/dbraw/zinc/22/74/87/566227487.db2.gz WVLDTBKNIZFBKW-XJKSGUPXSA-N 2 2 379.551 3.423 20 0 GGADLP Brc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nc1 ZINC000182956809 566232090 /nfs/dbraw/zinc/23/20/90/566232090.db2.gz SPRHRWZNQNOETG-UHFFFAOYSA-N 2 2 382.346 3.169 20 0 GGADLP C[C@@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183011932 566235177 /nfs/dbraw/zinc/23/51/77/566235177.db2.gz TYIDJCIBSBNRQW-ZIAGYGMSSA-N 2 2 378.929 3.184 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265445028 566237142 /nfs/dbraw/zinc/23/71/42/566237142.db2.gz AOAPDAGJNLOXMY-UHFFFAOYSA-N 2 2 377.286 3.299 20 0 GGADLP CN1CC[NH+](CC2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)CC1 ZINC000265469217 566237581 /nfs/dbraw/zinc/23/75/81/566237581.db2.gz ZJVBIDZMDSJLQQ-UHFFFAOYSA-N 2 2 384.337 3.048 20 0 GGADLP CN(C)c1[nH+]cc(C[NH2+]CCc2c[nH]c3cccc(Br)c23)n1C ZINC000419705240 566242099 /nfs/dbraw/zinc/24/20/99/566242099.db2.gz ISLMYCBRCPIUDX-UHFFFAOYSA-N 2 2 376.302 3.062 20 0 GGADLP COc1c(Br)cccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000369009019 566248993 /nfs/dbraw/zinc/24/89/93/566248993.db2.gz JRKGRAXRTBRHNS-DJIMGWMZSA-N 2 2 383.330 3.141 20 0 GGADLP COc1c(Br)cccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000369009019 566248995 /nfs/dbraw/zinc/24/89/95/566248995.db2.gz JRKGRAXRTBRHNS-DJIMGWMZSA-N 2 2 383.330 3.141 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+](CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000668794006 566266304 /nfs/dbraw/zinc/26/63/04/566266304.db2.gz XOTXOKWMQFUGCD-UHFFFAOYSA-N 2 2 379.291 3.325 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000481972111 566272466 /nfs/dbraw/zinc/27/24/66/566272466.db2.gz JFOCXYDITSNALU-OLZOCXBDSA-N 2 2 380.334 3.329 20 0 GGADLP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420370701 566273607 /nfs/dbraw/zinc/27/36/07/566273607.db2.gz PBQJXCKSBAZBSW-PBFPGSCMSA-N 2 2 375.314 3.382 20 0 GGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C1CCCCC1 ZINC000420365133 566274342 /nfs/dbraw/zinc/27/43/42/566274342.db2.gz RVHRBRCCEPUZHP-AWEZNQCLSA-N 2 2 390.272 3.163 20 0 GGADLP C[C@H](c1cccc(Br)c1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420354485 566274694 /nfs/dbraw/zinc/27/46/94/566274694.db2.gz OKPXCVFCCTUUSB-CYBMUJFWSA-N 2 2 390.329 3.084 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000482032296 566277537 /nfs/dbraw/zinc/27/75/37/566277537.db2.gz ONAKBDIXQRQLFM-MSOLQXFVSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000482032296 566277544 /nfs/dbraw/zinc/27/75/44/566277544.db2.gz ONAKBDIXQRQLFM-MSOLQXFVSA-N 2 2 396.373 3.433 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625141011 566280596 /nfs/dbraw/zinc/28/05/96/566280596.db2.gz KPSJGGNBDJIDFG-NVXWUHKLSA-N 2 2 389.297 3.236 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625141011 566280601 /nfs/dbraw/zinc/28/06/01/566280601.db2.gz KPSJGGNBDJIDFG-NVXWUHKLSA-N 2 2 389.297 3.236 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625141012 566281532 /nfs/dbraw/zinc/28/15/32/566281532.db2.gz KPSJGGNBDJIDFG-RDJZCZTQSA-N 2 2 389.297 3.236 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625141012 566281539 /nfs/dbraw/zinc/28/15/39/566281539.db2.gz KPSJGGNBDJIDFG-RDJZCZTQSA-N 2 2 389.297 3.236 20 0 GGADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1cc(Cl)ccc1Cl ZINC000575796894 566286795 /nfs/dbraw/zinc/28/67/95/566286795.db2.gz SKBLPCHWMSSMNI-HNNXBMFYSA-N 2 2 384.307 3.098 20 0 GGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000482157692 566288636 /nfs/dbraw/zinc/28/86/36/566288636.db2.gz NBTVFZHLFUATFZ-SZMVWBNQSA-N 2 2 396.373 3.466 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625199679 566289071 /nfs/dbraw/zinc/28/90/71/566289071.db2.gz IXRUVFVYBPHUED-KSSFIOAISA-N 2 2 394.357 3.366 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625199679 566289076 /nfs/dbraw/zinc/28/90/76/566289076.db2.gz IXRUVFVYBPHUED-KSSFIOAISA-N 2 2 394.357 3.366 20 0 GGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509459725 566306988 /nfs/dbraw/zinc/30/69/88/566306988.db2.gz OZUPAEHKGRBWAH-SFHVURJKSA-N 2 2 388.353 3.452 20 0 GGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509459725 566306998 /nfs/dbraw/zinc/30/69/98/566306998.db2.gz OZUPAEHKGRBWAH-SFHVURJKSA-N 2 2 388.353 3.452 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)C3(O)CCOCC3)c[nH+]c12 ZINC000669575881 566312540 /nfs/dbraw/zinc/31/25/40/566312540.db2.gz PIQRCXVBNUDNTF-UHFFFAOYSA-N 2 2 396.329 3.063 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000482527096 566314976 /nfs/dbraw/zinc/31/49/76/566314976.db2.gz KIDDAWZTAMGJHR-UHFFFAOYSA-N 2 2 395.320 3.301 20 0 GGADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cs2)cs1 ZINC000482616391 566321524 /nfs/dbraw/zinc/32/15/24/566321524.db2.gz AHBKUPGCPBOFNO-LRDDRELGSA-N 2 2 378.567 3.170 20 0 GGADLP Cc1nc(-c2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cs2)cs1 ZINC000482616391 566321530 /nfs/dbraw/zinc/32/15/30/566321530.db2.gz AHBKUPGCPBOFNO-LRDDRELGSA-N 2 2 378.567 3.170 20 0 GGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452065 566325108 /nfs/dbraw/zinc/32/51/08/566325108.db2.gz OOWUTYMTCGMRRU-IEBWSBKVSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452065 566325117 /nfs/dbraw/zinc/32/51/17/566325117.db2.gz OOWUTYMTCGMRRU-IEBWSBKVSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452065 566325122 /nfs/dbraw/zinc/32/51/22/566325122.db2.gz OOWUTYMTCGMRRU-IEBWSBKVSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452065 566325127 /nfs/dbraw/zinc/32/51/27/566325127.db2.gz OOWUTYMTCGMRRU-IEBWSBKVSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000482680890 566326810 /nfs/dbraw/zinc/32/68/10/566326810.db2.gz QDTMLYGYNJNOJZ-QGZVFWFLSA-N 2 2 384.337 3.190 20 0 GGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000482680890 566326816 /nfs/dbraw/zinc/32/68/16/566326816.db2.gz QDTMLYGYNJNOJZ-QGZVFWFLSA-N 2 2 384.337 3.190 20 0 GGADLP COC(=O)C[N@H+](CCCc1c[nH+]cn1C)CCc1ccc(Cl)cc1Cl ZINC000576237176 566327980 /nfs/dbraw/zinc/32/79/80/566327980.db2.gz BIVKQYGMQJUVIJ-UHFFFAOYSA-N 2 2 384.307 3.377 20 0 GGADLP COC(=O)C[N@@H+](CCCc1c[nH+]cn1C)CCc1ccc(Cl)cc1Cl ZINC000576237176 566327985 /nfs/dbraw/zinc/32/79/85/566327985.db2.gz BIVKQYGMQJUVIJ-UHFFFAOYSA-N 2 2 384.307 3.377 20 0 GGADLP c1csc([C@@H]2CSCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000420923946 566330528 /nfs/dbraw/zinc/33/05/28/566330528.db2.gz RIWFGOZIERYBRG-SFHVURJKSA-N 2 2 375.563 3.265 20 0 GGADLP c1csc([C@@H]2CSCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000420923946 566330538 /nfs/dbraw/zinc/33/05/38/566330538.db2.gz RIWFGOZIERYBRG-SFHVURJKSA-N 2 2 375.563 3.265 20 0 GGADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1Br ZINC000482895262 566340873 /nfs/dbraw/zinc/34/08/73/566340873.db2.gz SOOOVYSVMPSVIQ-GOSISDBHSA-N 2 2 396.373 3.433 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482884135 566341345 /nfs/dbraw/zinc/34/13/45/566341345.db2.gz JPLQTEQEYFLJAY-SJLPKXTDSA-N 2 2 397.357 3.345 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000576473453 566350116 /nfs/dbraw/zinc/35/01/16/566350116.db2.gz YXUAQMZAFHKTOV-ZBFHGGJFSA-N 2 2 375.257 3.056 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699498 566352730 /nfs/dbraw/zinc/35/27/30/566352730.db2.gz FOHBDBVKWSOVHD-NVXWUHKLSA-N 2 2 385.371 3.071 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699498 566352738 /nfs/dbraw/zinc/35/27/38/566352738.db2.gz FOHBDBVKWSOVHD-NVXWUHKLSA-N 2 2 385.371 3.071 20 0 GGADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699498 566352745 /nfs/dbraw/zinc/35/27/45/566352745.db2.gz FOHBDBVKWSOVHD-NVXWUHKLSA-N 2 2 385.371 3.071 20 0 GGADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699498 566352753 /nfs/dbraw/zinc/35/27/53/566352753.db2.gz FOHBDBVKWSOVHD-NVXWUHKLSA-N 2 2 385.371 3.071 20 0 GGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c2ccccc21 ZINC000576626570 566364354 /nfs/dbraw/zinc/36/43/54/566364354.db2.gz MKPHNWXQXHNVEI-KZNAEPCWSA-N 2 2 386.293 3.289 20 0 GGADLP CC[N@H+]1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)[C@@H](C)C1 ZINC000462942060 566370208 /nfs/dbraw/zinc/37/02/08/566370208.db2.gz SLBDKFGXPKXGQS-VBQJREDUSA-N 2 2 385.346 3.201 20 0 GGADLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)[C@@H](C)C1 ZINC000462942060 566370211 /nfs/dbraw/zinc/37/02/11/566370211.db2.gz SLBDKFGXPKXGQS-VBQJREDUSA-N 2 2 385.346 3.201 20 0 GGADLP [NH3+]C[C@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCCO1 ZINC000557339617 566377935 /nfs/dbraw/zinc/37/79/35/566377935.db2.gz XIIZFNXUCVFOLL-HNNXBMFYSA-N 2 2 376.913 3.266 20 0 GGADLP [NH3+]C[C@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCCO1 ZINC000557339617 566377945 /nfs/dbraw/zinc/37/79/45/566377945.db2.gz XIIZFNXUCVFOLL-HNNXBMFYSA-N 2 2 376.913 3.266 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1nc2ccc(Br)cc2o1 ZINC000463119693 566386297 /nfs/dbraw/zinc/38/62/97/566386297.db2.gz QBECNDFVRQBFNT-UNEWFSDZSA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1nc2ccc(Br)cc2o1 ZINC000463119693 566386303 /nfs/dbraw/zinc/38/63/03/566386303.db2.gz QBECNDFVRQBFNT-UNEWFSDZSA-N 2 2 394.313 3.274 20 0 GGADLP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000447093048 566386778 /nfs/dbraw/zinc/38/67/78/566386778.db2.gz GLLAVWMUZXUYOV-KRWDZBQOSA-N 2 2 394.357 3.407 20 0 GGADLP C[NH+](C)CC1CC[NH+](Cc2noc(Cc3ccc(Br)cc3)n2)CC1 ZINC000601062352 566387579 /nfs/dbraw/zinc/38/75/79/566387579.db2.gz UIVHXCVOBQWUEP-UHFFFAOYSA-N 2 2 393.329 3.197 20 0 GGADLP CC(C)C[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000557522603 566393495 /nfs/dbraw/zinc/39/34/95/566393495.db2.gz BVFMMUGEHJDPQS-UHFFFAOYSA-N 2 2 392.345 3.240 20 0 GGADLP CC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000463403632 566406686 /nfs/dbraw/zinc/40/66/86/566406686.db2.gz KKXCWNYGGZAZND-SFHVURJKSA-N 2 2 394.357 3.327 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000601598418 566413880 /nfs/dbraw/zinc/41/38/80/566413880.db2.gz QSYYPEMAQYOIGU-UHFFFAOYSA-N 2 2 392.297 3.184 20 0 GGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000447530608 566414132 /nfs/dbraw/zinc/41/41/32/566414132.db2.gz OPVUZOUKRINDJG-IUODEOHRSA-N 2 2 395.263 3.431 20 0 GGADLP Cc1cc(Br)cn2c(CNc3[nH+]c4cc(F)ccc4n3C)c[nH+]c12 ZINC000463516160 566415232 /nfs/dbraw/zinc/41/52/32/566415232.db2.gz SGIHYFRIYVZPGK-UHFFFAOYSA-N 2 2 388.244 3.465 20 0 GGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566703 566415696 /nfs/dbraw/zinc/41/56/96/566415696.db2.gz VTQIEHZMPYPOLR-QMTHXVAHSA-N 2 2 378.685 3.374 20 0 GGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566703 566415701 /nfs/dbraw/zinc/41/57/01/566415701.db2.gz VTQIEHZMPYPOLR-QMTHXVAHSA-N 2 2 378.685 3.374 20 0 GGADLP Cc1noc(CCC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000510906976 566418834 /nfs/dbraw/zinc/41/88/34/566418834.db2.gz QSHMXRHXLFPAKC-UHFFFAOYSA-N 2 2 394.273 3.065 20 0 GGADLP Cc1noc(CCC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000510906976 566418843 /nfs/dbraw/zinc/41/88/43/566418843.db2.gz QSHMXRHXLFPAKC-UHFFFAOYSA-N 2 2 394.273 3.065 20 0 GGADLP FC(F)(F)COCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510934839 566420380 /nfs/dbraw/zinc/42/03/80/566420380.db2.gz RUNZXKUFGYAEGB-UHFFFAOYSA-N 2 2 396.207 3.320 20 0 GGADLP FC(F)(F)COCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510934839 566420385 /nfs/dbraw/zinc/42/03/85/566420385.db2.gz RUNZXKUFGYAEGB-UHFFFAOYSA-N 2 2 396.207 3.320 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000422011428 566427165 /nfs/dbraw/zinc/42/71/65/566427165.db2.gz ULDKPIUIQQUROD-UHFFFAOYSA-N 2 2 394.357 3.081 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccc(Br)cc3)CC2)CC1 ZINC000422011428 566427172 /nfs/dbraw/zinc/42/71/72/566427172.db2.gz ULDKPIUIQQUROD-UHFFFAOYSA-N 2 2 394.357 3.081 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000671677163 566436936 /nfs/dbraw/zinc/43/69/36/566436936.db2.gz MADYDFKTGKJNRO-UHFFFAOYSA-N 2 2 375.460 3.055 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)NCc3ccc(Cl)s3)CC2)CC1 ZINC000422180398 566438791 /nfs/dbraw/zinc/43/87/91/566438791.db2.gz UKPCMHDIQYQSQS-UHFFFAOYSA-N 2 2 384.977 3.103 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)NCc3ccc(Cl)s3)CC2)CC1 ZINC000422180398 566438801 /nfs/dbraw/zinc/43/88/01/566438801.db2.gz UKPCMHDIQYQSQS-UHFFFAOYSA-N 2 2 384.977 3.103 20 0 GGADLP C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602201147 566452890 /nfs/dbraw/zinc/45/28/90/566452890.db2.gz JGXCWDWYAMKDQO-HOCLYGCPSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602201147 566452894 /nfs/dbraw/zinc/45/28/94/566452894.db2.gz JGXCWDWYAMKDQO-HOCLYGCPSA-N 2 2 381.973 3.105 20 0 GGADLP Fc1cc(Br)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1F ZINC000577638277 566453257 /nfs/dbraw/zinc/45/32/57/566453257.db2.gz QXJKUJQELDMKIM-UHFFFAOYSA-N 2 2 389.284 3.272 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4c(cccc4Cl)s3)C2)CC1 ZINC000602202769 566453307 /nfs/dbraw/zinc/45/33/07/566453307.db2.gz SNWGNWNILVHFOG-CYBMUJFWSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4c(cccc4Cl)s3)C2)CC1 ZINC000602202769 566453313 /nfs/dbraw/zinc/45/33/13/566453313.db2.gz SNWGNWNILVHFOG-CYBMUJFWSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4c(cccc4Cl)s3)C2)CC1 ZINC000602202770 566453504 /nfs/dbraw/zinc/45/35/04/566453504.db2.gz SNWGNWNILVHFOG-ZDUSSCGKSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4c(cccc4Cl)s3)C2)CC1 ZINC000602202770 566453506 /nfs/dbraw/zinc/45/35/06/566453506.db2.gz SNWGNWNILVHFOG-ZDUSSCGKSA-N 2 2 377.941 3.453 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C[C@@H]1C[NH3+] ZINC000422635310 566458946 /nfs/dbraw/zinc/45/89/46/566458946.db2.gz LHSVLQRANQIZCG-VWYCJHECSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C[C@@H]1C[NH3+] ZINC000422635310 566458952 /nfs/dbraw/zinc/45/89/52/566458952.db2.gz LHSVLQRANQIZCG-VWYCJHECSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000422634568 566459963 /nfs/dbraw/zinc/45/99/63/566459963.db2.gz JVOWROOKQXDEIY-VNHYZAJKSA-N 2 2 393.329 3.228 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000422634568 566459968 /nfs/dbraw/zinc/45/99/68/566459968.db2.gz JVOWROOKQXDEIY-VNHYZAJKSA-N 2 2 393.329 3.228 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C[C@H]1C[NH3+] ZINC000422640240 566460607 /nfs/dbraw/zinc/46/06/07/566460607.db2.gz VEWVLYAKMKSYPZ-GMTAPVOTSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C[C@H]1C[NH3+] ZINC000422640240 566460615 /nfs/dbraw/zinc/46/06/15/566460615.db2.gz VEWVLYAKMKSYPZ-GMTAPVOTSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C[C@@H]1C[NH3+] ZINC000422640243 566461137 /nfs/dbraw/zinc/46/11/37/566461137.db2.gz VEWVLYAKMKSYPZ-VWYCJHECSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C[C@@H]1C[NH3+] ZINC000422640243 566461142 /nfs/dbraw/zinc/46/11/42/566461142.db2.gz VEWVLYAKMKSYPZ-VWYCJHECSA-N 2 2 385.331 3.366 20 0 GGADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cc(O)ccc3Br)CC2)CC1 ZINC000537659848 566461657 /nfs/dbraw/zinc/46/16/57/566461657.db2.gz SSZKQESTASDFKO-UHFFFAOYSA-N 2 2 396.373 3.145 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000537696699 566463621 /nfs/dbraw/zinc/46/36/21/566463621.db2.gz JXWNHPBPSLIMOL-BBRMVZONSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000537696699 566463627 /nfs/dbraw/zinc/46/36/27/566463627.db2.gz JXWNHPBPSLIMOL-BBRMVZONSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000537696699 566463632 /nfs/dbraw/zinc/46/36/32/566463632.db2.gz JXWNHPBPSLIMOL-BBRMVZONSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@@H]21 ZINC000537696699 566463640 /nfs/dbraw/zinc/46/36/40/566463640.db2.gz JXWNHPBPSLIMOL-BBRMVZONSA-N 2 2 380.323 3.490 20 0 GGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422738014 566463664 /nfs/dbraw/zinc/46/36/64/566463664.db2.gz YGGJCWRVHPNSLT-RHSMWYFYSA-N 2 2 386.367 3.314 20 0 GGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422876458 566465598 /nfs/dbraw/zinc/46/55/98/566465598.db2.gz FXQRTHOJFGUJSD-ZBFHGGJFSA-N 2 2 387.351 3.398 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000422930910 566465617 /nfs/dbraw/zinc/46/56/17/566465617.db2.gz ABEUVXZZWVUKQG-IAGOWNOFSA-N 2 2 379.551 3.013 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000422931423 566467519 /nfs/dbraw/zinc/46/75/19/566467519.db2.gz BQPHPKLOWRBDDA-HOTGVXAUSA-N 2 2 387.615 3.179 20 0 GGADLP Cc1cc(Br)cn2cc(C[NH2+][C@@H](Cc3ccccc3)[C@@H](C)[NH3+])nc12 ZINC000423031852 566468388 /nfs/dbraw/zinc/46/83/88/566468388.db2.gz DUXLNUDFDYRZDM-KDOFPFPSSA-N 2 2 387.325 3.453 20 0 GGADLP Cc1cc(Br)cn2cc(C[NH2+][C@H](Cc3ccccc3)[C@@H](C)[NH3+])nc12 ZINC000423031857 566469941 /nfs/dbraw/zinc/46/99/41/566469941.db2.gz DUXLNUDFDYRZDM-RDTXWAMCSA-N 2 2 387.325 3.453 20 0 GGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1Br ZINC000423049921 566470812 /nfs/dbraw/zinc/47/08/12/566470812.db2.gz KIBCQULTIAYMHR-ZWNOBZJWSA-N 2 2 392.135 3.068 20 0 GGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423038520 566470979 /nfs/dbraw/zinc/47/09/79/566470979.db2.gz YWPVMPFFJAHHGK-AUUYWEPGSA-N 2 2 386.367 3.314 20 0 GGADLP CCn1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000558419248 566471158 /nfs/dbraw/zinc/47/11/58/566471158.db2.gz LUFJTASRTBHHDN-UHFFFAOYSA-N 2 2 378.274 3.157 20 0 GGADLP CCn1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000558419248 566471162 /nfs/dbraw/zinc/47/11/62/566471162.db2.gz LUFJTASRTBHHDN-UHFFFAOYSA-N 2 2 378.274 3.157 20 0 GGADLP CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(Br)c1OC ZINC000650708573 566472009 /nfs/dbraw/zinc/47/20/09/566472009.db2.gz FMKXKZKZOAGMHB-KSSFIOAISA-N 2 2 383.330 3.417 20 0 GGADLP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc(Br)c1OC ZINC000650708573 566472014 /nfs/dbraw/zinc/47/20/14/566472014.db2.gz FMKXKZKZOAGMHB-KSSFIOAISA-N 2 2 383.330 3.417 20 0 GGADLP C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423092972 566475591 /nfs/dbraw/zinc/47/55/91/566475591.db2.gz FBRONCQQEKLYBS-OWYVNGRQSA-N 2 2 381.236 3.231 20 0 GGADLP CC[C@H]([NH2+][C@H](C)c1ccc(Br)cc1OCCCO)[C@@H]1CCC[NH2+]1 ZINC000423138901 566478773 /nfs/dbraw/zinc/47/87/73/566478773.db2.gz YOQJHNLPJJOFQD-COXVUDFISA-N 2 2 385.346 3.392 20 0 GGADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423151853 566479139 /nfs/dbraw/zinc/47/91/39/566479139.db2.gz CZZQIBQFMSQSAG-ZANVPECISA-N 2 2 377.124 3.214 20 0 GGADLP Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)ccc1Br ZINC000464491775 566480184 /nfs/dbraw/zinc/48/01/84/566480184.db2.gz ZXNSDSCYZPYHEW-QAPCUYQASA-N 2 2 394.357 3.136 20 0 GGADLP Cc1cc(N2CCC[C@H]([N@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)ccc1Br ZINC000464491775 566480187 /nfs/dbraw/zinc/48/01/87/566480187.db2.gz ZXNSDSCYZPYHEW-QAPCUYQASA-N 2 2 394.357 3.136 20 0 GGADLP C[NH2+]C[C@@H](C)C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423273958 566483559 /nfs/dbraw/zinc/48/35/59/566483559.db2.gz LMWDXJBKKUFLBE-AUUYWEPGSA-N 2 2 380.941 3.278 20 0 GGADLP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423258071 566484189 /nfs/dbraw/zinc/48/41/89/566484189.db2.gz AXIAZMNDKHFFNJ-BONVTDFDSA-N 2 2 394.368 3.199 20 0 GGADLP C[NH2+]C[C@H](C)C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423273964 566485012 /nfs/dbraw/zinc/48/50/12/566485012.db2.gz LMWDXJBKKUFLBE-LIRRHRJNSA-N 2 2 380.941 3.278 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000423397791 566488231 /nfs/dbraw/zinc/48/82/31/566488231.db2.gz UXTMUXWDADKJOL-XUJVJEKNSA-N 2 2 378.318 3.129 20 0 GGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423509156 566491307 /nfs/dbraw/zinc/49/13/07/566491307.db2.gz ITUKXYRSBNSPDS-MOPGFXCFSA-N 2 2 392.316 3.171 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cnn1-c1ccc(Cl)cc1Cl ZINC000423525154 566492704 /nfs/dbraw/zinc/49/27/04/566492704.db2.gz UCOPPPFWESFUTN-IUODEOHRSA-N 2 2 382.339 3.042 20 0 GGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423529288 566492724 /nfs/dbraw/zinc/49/27/24/566492724.db2.gz XRFTWVYGTSRJGU-HOTGVXAUSA-N 2 2 376.957 3.334 20 0 GGADLP FC(F)(F)c1cc(Br)ccc1[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000423577100 566492876 /nfs/dbraw/zinc/49/28/76/566492876.db2.gz RWFQRQOVSLMZKY-WFASDCNBSA-N 2 2 393.247 3.497 20 0 GGADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423544778 566493345 /nfs/dbraw/zinc/49/33/45/566493345.db2.gz CJYFYMLAJCCIKY-RISCZKNCSA-N 2 2 381.236 3.497 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H](CCO)c2ccccc2Br)s1 ZINC000511926856 566496978 /nfs/dbraw/zinc/49/69/78/566496978.db2.gz LLMYCDAECMZINY-OAHLLOKOSA-N 2 2 384.343 3.181 20 0 GGADLP C[C@@H](CC[NH2+]Cc1ncc(I)s1)[NH+]1CCCCC1 ZINC000511936572 566498839 /nfs/dbraw/zinc/49/88/39/566498839.db2.gz AJOHSUCPIAIIMV-NSHDSACASA-N 2 2 379.311 3.102 20 0 GGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511977890 566501703 /nfs/dbraw/zinc/50/17/03/566501703.db2.gz JIWMGFFWZFMESO-SNVBAGLBSA-N 2 2 375.464 3.431 20 0 GGADLP O[C@]1(C[NH2+]Cc2cscc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000512011223 566505841 /nfs/dbraw/zinc/50/58/41/566505841.db2.gz YDFXVBYBIOYIDF-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@]1(C[NH2+]Cc2cscc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000512011223 566505847 /nfs/dbraw/zinc/50/58/47/566505847.db2.gz YDFXVBYBIOYIDF-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000512042340 566508152 /nfs/dbraw/zinc/50/81/52/566508152.db2.gz XSLSACZSQHHPAT-LBPRGKRZSA-N 2 2 393.338 3.205 20 0 GGADLP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(I)s2)C1 ZINC000512042340 566508161 /nfs/dbraw/zinc/50/81/61/566508161.db2.gz XSLSACZSQHHPAT-LBPRGKRZSA-N 2 2 393.338 3.205 20 0 GGADLP Cc1cc(NC(=O)C[NH2+]Cc2ncc(C[NH+](C)C)s2)ccc1Br ZINC000512041114 566508355 /nfs/dbraw/zinc/50/83/55/566508355.db2.gz RXKQFXGJAMVREX-UHFFFAOYSA-N 2 2 397.342 3.004 20 0 GGADLP Ic1cnc(C[NH2+]Cc2cccc(-n3cc[nH+]c3)c2)s1 ZINC000512059595 566510426 /nfs/dbraw/zinc/51/04/26/566510426.db2.gz SEEQNPJQVQWIRA-UHFFFAOYSA-N 2 2 396.257 3.223 20 0 GGADLP Cn1cc[nH+]c1[C@H](NCc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000512132988 566514669 /nfs/dbraw/zinc/51/46/69/566514669.db2.gz WTEFNTLLICKMKY-QGZVFWFLSA-N 2 2 375.929 3.471 20 0 GGADLP Ic1cnc(C[NH2+]CCCCNc2cccc[nH+]2)s1 ZINC000512137887 566515668 /nfs/dbraw/zinc/51/56/68/566515668.db2.gz WUHYNFCZVZJKNM-UHFFFAOYSA-N 2 2 388.278 3.125 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000558975877 566517868 /nfs/dbraw/zinc/51/78/68/566517868.db2.gz FMZXVUZYMVNULN-MSOLQXFVSA-N 2 2 394.357 3.146 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000558975877 566517872 /nfs/dbraw/zinc/51/78/72/566517872.db2.gz FMZXVUZYMVNULN-MSOLQXFVSA-N 2 2 394.357 3.146 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000558975878 566518327 /nfs/dbraw/zinc/51/83/27/566518327.db2.gz FMZXVUZYMVNULN-QZTJIDSGSA-N 2 2 394.357 3.146 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2cc(Br)ccc21 ZINC000558975878 566518333 /nfs/dbraw/zinc/51/83/33/566518333.db2.gz FMZXVUZYMVNULN-QZTJIDSGSA-N 2 2 394.357 3.146 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000449162498 566533247 /nfs/dbraw/zinc/53/32/47/566533247.db2.gz SCGMRYZEOCLTNS-VQIMIIECSA-N 2 2 378.563 3.324 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000449162498 566533250 /nfs/dbraw/zinc/53/32/50/566533250.db2.gz SCGMRYZEOCLTNS-VQIMIIECSA-N 2 2 378.563 3.324 20 0 GGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449190973 566535120 /nfs/dbraw/zinc/53/51/20/566535120.db2.gz RTOCUUYRMWFRNY-DLBZAZTESA-N 2 2 385.321 3.446 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@@H]21 ZINC000538798665 566536958 /nfs/dbraw/zinc/53/69/58/566536958.db2.gz SJSLXAWBYUTPQF-GUYCJALGSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@@H]21 ZINC000538798665 566536967 /nfs/dbraw/zinc/53/69/67/566536967.db2.gz SJSLXAWBYUTPQF-GUYCJALGSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@@H]21 ZINC000538798665 566536975 /nfs/dbraw/zinc/53/69/75/566536975.db2.gz SJSLXAWBYUTPQF-GUYCJALGSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@@H]21 ZINC000538798665 566536981 /nfs/dbraw/zinc/53/69/81/566536981.db2.gz SJSLXAWBYUTPQF-GUYCJALGSA-N 2 2 380.323 3.490 20 0 GGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449221114 566538030 /nfs/dbraw/zinc/53/80/30/566538030.db2.gz FTERZNGNPVZSTO-AWEZNQCLSA-N 2 2 378.314 3.198 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312891 566540558 /nfs/dbraw/zinc/54/05/58/566540558.db2.gz WPZLQUHFQOIAGE-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312891 566540565 /nfs/dbraw/zinc/54/05/65/566540565.db2.gz WPZLQUHFQOIAGE-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559312891 566540572 /nfs/dbraw/zinc/54/05/72/566540572.db2.gz WPZLQUHFQOIAGE-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559312891 566540577 /nfs/dbraw/zinc/54/05/77/566540577.db2.gz WPZLQUHFQOIAGE-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312887 566541203 /nfs/dbraw/zinc/54/12/03/566541203.db2.gz WPZLQUHFQOIAGE-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312887 566541209 /nfs/dbraw/zinc/54/12/09/566541209.db2.gz WPZLQUHFQOIAGE-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559312887 566541215 /nfs/dbraw/zinc/54/12/15/566541215.db2.gz WPZLQUHFQOIAGE-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559312887 566541220 /nfs/dbraw/zinc/54/12/20/566541220.db2.gz WPZLQUHFQOIAGE-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1Br ZINC000559310718 566541240 /nfs/dbraw/zinc/54/12/40/566541240.db2.gz BWJONSANOTWPAV-GOSISDBHSA-N 2 2 380.330 3.114 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1Br ZINC000559310718 566541244 /nfs/dbraw/zinc/54/12/44/566541244.db2.gz BWJONSANOTWPAV-GOSISDBHSA-N 2 2 380.330 3.114 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1Br ZINC000559310718 566541250 /nfs/dbraw/zinc/54/12/50/566541250.db2.gz BWJONSANOTWPAV-GOSISDBHSA-N 2 2 380.330 3.114 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1Br ZINC000559310718 566541252 /nfs/dbraw/zinc/54/12/52/566541252.db2.gz BWJONSANOTWPAV-GOSISDBHSA-N 2 2 380.330 3.114 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000673712066 566551741 /nfs/dbraw/zinc/55/17/41/566551741.db2.gz NLVQIXUCWDSHPH-GFCCVEGCSA-N 2 2 378.270 3.323 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CCC[C@@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000673712066 566551747 /nfs/dbraw/zinc/55/17/47/566551747.db2.gz NLVQIXUCWDSHPH-GFCCVEGCSA-N 2 2 378.270 3.323 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[N@@H+](C4CC4)C[C@H](C)C3)c[nH+]c12 ZINC000449344085 566552825 /nfs/dbraw/zinc/55/28/25/566552825.db2.gz APWMMVHLYBDLOI-CYBMUJFWSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[N@H+](C4CC4)C[C@H](C)C3)c[nH+]c12 ZINC000449344085 566552830 /nfs/dbraw/zinc/55/28/30/566552830.db2.gz APWMMVHLYBDLOI-CYBMUJFWSA-N 2 2 377.330 3.321 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449385330 566556727 /nfs/dbraw/zinc/55/67/27/566556727.db2.gz FKDBRQRVTINJDC-BCLQGDPASA-N 2 2 385.321 3.271 20 0 GGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449385330 566556729 /nfs/dbraw/zinc/55/67/29/566556729.db2.gz FKDBRQRVTINJDC-BCLQGDPASA-N 2 2 385.321 3.271 20 0 GGADLP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C(C)C)c(Br)c1 ZINC000578822048 566557228 /nfs/dbraw/zinc/55/72/28/566557228.db2.gz REOITEAUIJVNEP-KDOFPFPSSA-N 2 2 385.346 3.201 20 0 GGADLP C[N@H+](CC[NH2+]CCC(=O)Nc1cccc(Br)c1)Cc1ccccc1 ZINC000578988027 566570073 /nfs/dbraw/zinc/57/00/73/566570073.db2.gz HHDKNSAGFNRBJM-UHFFFAOYSA-N 2 2 390.325 3.499 20 0 GGADLP C[N@@H+](CC[NH2+]CCC(=O)Nc1cccc(Br)c1)Cc1ccccc1 ZINC000578988027 566570078 /nfs/dbraw/zinc/57/00/78/566570078.db2.gz HHDKNSAGFNRBJM-UHFFFAOYSA-N 2 2 390.325 3.499 20 0 GGADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000579022394 566574282 /nfs/dbraw/zinc/57/42/82/566574282.db2.gz WCPAMNHDJFWCPC-UHFFFAOYSA-N 2 2 381.307 3.118 20 0 GGADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000449603265 566581635 /nfs/dbraw/zinc/58/16/35/566581635.db2.gz VQLLIEXBSRHXEY-PVAVHDDUSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000449603265 566581640 /nfs/dbraw/zinc/58/16/40/566581640.db2.gz VQLLIEXBSRHXEY-PVAVHDDUSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1[nH+]cc(C[NH2+][C@H](C)CCc2ccc(I)cc2)n1C ZINC000579142971 566584114 /nfs/dbraw/zinc/58/41/14/566584114.db2.gz NGWIQDHJERUKRM-GFCCVEGCSA-N 2 2 383.277 3.444 20 0 GGADLP CN(C)c1cc(NCc2[nH+]ccn2CC(F)(F)F)[nH+]cc1Br ZINC000449646955 566586670 /nfs/dbraw/zinc/58/66/70/566586670.db2.gz OMFQBOZEJWOBSM-UHFFFAOYSA-N 2 2 378.196 3.281 20 0 GGADLP CC(C)[N@@H+]1CCc2nc(CNc3[nH+]c4cccc(Cl)c4n3C)sc2C1 ZINC000466634742 566588526 /nfs/dbraw/zinc/58/85/26/566588526.db2.gz LEQSDMOUGQWTND-UHFFFAOYSA-N 2 2 375.929 3.484 20 0 GGADLP CC(C)[N@H+]1CCc2nc(CNc3[nH+]c4cccc(Cl)c4n3C)sc2C1 ZINC000466634742 566588533 /nfs/dbraw/zinc/58/85/33/566588533.db2.gz LEQSDMOUGQWTND-UHFFFAOYSA-N 2 2 375.929 3.484 20 0 GGADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449684190 566590837 /nfs/dbraw/zinc/59/08/37/566590837.db2.gz OQXJQWZTFAHDBV-HNNXBMFYSA-N 2 2 388.309 3.346 20 0 GGADLP OC[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)Cc1ccc(F)c(Br)c1 ZINC000449685543 566592753 /nfs/dbraw/zinc/59/27/53/566592753.db2.gz SGTSYBWWBAHILN-AWEZNQCLSA-N 2 2 392.272 3.177 20 0 GGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000579253311 566593717 /nfs/dbraw/zinc/59/37/17/566593717.db2.gz PEEIECQCGUHOLU-DNVCBOLYSA-N 2 2 390.325 3.132 20 0 GGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000579253311 566593724 /nfs/dbraw/zinc/59/37/24/566593724.db2.gz PEEIECQCGUHOLU-DNVCBOLYSA-N 2 2 390.325 3.132 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000652360764 566604792 /nfs/dbraw/zinc/60/47/92/566604792.db2.gz PYZRLDIBPIUMIN-KCXAZCMYSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000652360764 566604800 /nfs/dbraw/zinc/60/48/00/566604800.db2.gz PYZRLDIBPIUMIN-KCXAZCMYSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000652360714 566605464 /nfs/dbraw/zinc/60/54/64/566605464.db2.gz OKVFTPQBHLGSNI-UHOFOFEASA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000652360714 566605472 /nfs/dbraw/zinc/60/54/72/566605472.db2.gz OKVFTPQBHLGSNI-UHOFOFEASA-N 2 2 386.323 3.293 20 0 GGADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000513488091 566605632 /nfs/dbraw/zinc/60/56/32/566605632.db2.gz OXLXKYVYZOKEGA-HXUWFJFHSA-N 2 2 389.337 3.484 20 0 GGADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(Br)c1 ZINC000513488091 566605635 /nfs/dbraw/zinc/60/56/35/566605635.db2.gz OXLXKYVYZOKEGA-HXUWFJFHSA-N 2 2 389.337 3.484 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000652350451 566605809 /nfs/dbraw/zinc/60/58/09/566605809.db2.gz ZSZAFOBQRZKLLH-ZBEGNZNMSA-N 2 2 375.822 3.358 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C2 ZINC000652350451 566605810 /nfs/dbraw/zinc/60/58/10/566605810.db2.gz ZSZAFOBQRZKLLH-ZBEGNZNMSA-N 2 2 375.822 3.358 20 0 GGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1CC[NH3+] ZINC000652354077 566605853 /nfs/dbraw/zinc/60/58/53/566605853.db2.gz MNHDGVUBYUHUQU-SMDDNHRTSA-N 2 2 375.847 3.329 20 0 GGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@@H]1CC[NH3+] ZINC000652354077 566605857 /nfs/dbraw/zinc/60/58/57/566605857.db2.gz MNHDGVUBYUHUQU-SMDDNHRTSA-N 2 2 375.847 3.329 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000652361141 566606023 /nfs/dbraw/zinc/60/60/23/566606023.db2.gz YTBZUDVBHBFMRE-XYPHTWIQSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000652361141 566606032 /nfs/dbraw/zinc/60/60/32/566606032.db2.gz YTBZUDVBHBFMRE-XYPHTWIQSA-N 2 2 386.323 3.293 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000560259689 566611873 /nfs/dbraw/zinc/61/18/73/566611873.db2.gz BLFZTADGBSHPKT-CQSZACIVSA-N 2 2 378.270 3.338 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000560259689 566611880 /nfs/dbraw/zinc/61/18/80/566611880.db2.gz BLFZTADGBSHPKT-CQSZACIVSA-N 2 2 378.270 3.338 20 0 GGADLP CSc1cc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)ccn1 ZINC000540066468 566626250 /nfs/dbraw/zinc/62/62/50/566626250.db2.gz IWHYBUBARKJCOO-UHFFFAOYSA-N 2 2 376.957 3.499 20 0 GGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)n1C ZINC000425371815 566635494 /nfs/dbraw/zinc/63/54/94/566635494.db2.gz RAMIKROGRWFMCT-HNNXBMFYSA-N 2 2 377.330 3.313 20 0 GGADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)n1C ZINC000425371815 566635500 /nfs/dbraw/zinc/63/55/00/566635500.db2.gz RAMIKROGRWFMCT-HNNXBMFYSA-N 2 2 377.330 3.313 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000540342844 566647000 /nfs/dbraw/zinc/64/70/00/566647000.db2.gz HZCJCESKHSBWOE-NWDGAFQWSA-N 2 2 376.303 3.336 20 0 GGADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000606897992 566648051 /nfs/dbraw/zinc/64/80/51/566648051.db2.gz GTJWAYSOFFUAQT-AWEZNQCLSA-N 2 2 390.329 3.188 20 0 GGADLP Cc1csc(Sc2ccc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)cc2Cl)n1 ZINC000653081440 566649496 /nfs/dbraw/zinc/64/94/96/566649496.db2.gz ORZUBPICSVYSPX-ZDUSSCGKSA-N 2 2 384.958 3.474 20 0 GGADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653087808 566650396 /nfs/dbraw/zinc/65/03/96/566650396.db2.gz GWEMXZDVHWSJML-XHDPSFHLSA-N 2 2 380.945 3.228 20 0 GGADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653087805 566650687 /nfs/dbraw/zinc/65/06/87/566650687.db2.gz GWEMXZDVHWSJML-ABAIWWIYSA-N 2 2 380.945 3.228 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000653094161 566651474 /nfs/dbraw/zinc/65/14/74/566651474.db2.gz YYKKFVIBOORBJG-SNVBAGLBSA-N 2 2 385.402 3.280 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000653098436 566651509 /nfs/dbraw/zinc/65/15/09/566651509.db2.gz NLJVKLAPPVBOSD-KRWDZBQOSA-N 2 2 396.373 3.046 20 0 GGADLP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000467523065 566651968 /nfs/dbraw/zinc/65/19/68/566651968.db2.gz SDZNGRWXIBQCKZ-UHFFFAOYSA-N 2 2 396.373 3.203 20 0 GGADLP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000467523065 566651972 /nfs/dbraw/zinc/65/19/72/566651972.db2.gz SDZNGRWXIBQCKZ-UHFFFAOYSA-N 2 2 396.373 3.203 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000487164321 566651942 /nfs/dbraw/zinc/65/19/42/566651942.db2.gz LRMRHXBHUZPXAO-MRXNPFEDSA-N 2 2 375.314 3.279 20 0 GGADLP C[C@H](CNc1cc[nH+]c2cc(F)c(Br)cc12)N1CC[NH+](C)CC1 ZINC000450306350 566656137 /nfs/dbraw/zinc/65/61/37/566656137.db2.gz SPOVNJDDQQDYLY-GFCCVEGCSA-N 2 2 381.293 3.184 20 0 GGADLP Cc1[nH+]cc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)n1C ZINC000514615749 566657352 /nfs/dbraw/zinc/65/73/52/566657352.db2.gz DSHHJTCHBORYEK-CQSZACIVSA-N 2 2 392.219 3.333 20 0 GGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000467753559 566660850 /nfs/dbraw/zinc/66/08/50/566660850.db2.gz QMDUOUQDOKEKAA-MJGOQNOKSA-N 2 2 395.316 3.384 20 0 GGADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000580055487 566660956 /nfs/dbraw/zinc/66/09/56/566660956.db2.gz ULLGGLXHOOOGDO-QAPCUYQASA-N 2 2 386.323 3.150 20 0 GGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)n1 ZINC000629550206 566663532 /nfs/dbraw/zinc/66/35/32/566663532.db2.gz NEWIYUXCNDXMQQ-ZDUSSCGKSA-N 2 2 397.342 3.393 20 0 GGADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H](Sc3ccc(Br)cc3)C2)n1 ZINC000629550206 566663538 /nfs/dbraw/zinc/66/35/38/566663538.db2.gz NEWIYUXCNDXMQQ-ZDUSSCGKSA-N 2 2 397.342 3.393 20 0 GGADLP Clc1cc(Cl)cc(-c2nc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000629531533 566664879 /nfs/dbraw/zinc/66/48/79/566664879.db2.gz ODQXIJBYMCLJEM-KRWDZBQOSA-N 2 2 381.307 3.128 20 0 GGADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629552764 566666102 /nfs/dbraw/zinc/66/61/02/566666102.db2.gz PTJCSKLWDQTKAC-DOMZBBRYSA-N 2 2 382.295 3.123 20 0 GGADLP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000629561629 566666145 /nfs/dbraw/zinc/66/61/45/566666145.db2.gz IWZOKIVMSHPVPT-NWDGAFQWSA-N 2 2 381.236 3.287 20 0 GGADLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000629561629 566666150 /nfs/dbraw/zinc/66/61/50/566666150.db2.gz IWZOKIVMSHPVPT-NWDGAFQWSA-N 2 2 381.236 3.287 20 0 GGADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629552766 566666235 /nfs/dbraw/zinc/66/62/35/566666235.db2.gz PTJCSKLWDQTKAC-SWLSCSKDSA-N 2 2 382.295 3.123 20 0 GGADLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000675886627 566668210 /nfs/dbraw/zinc/66/82/10/566668210.db2.gz SSKITOOBBVDSFS-QFBILLFUSA-N 2 2 386.367 3.441 20 0 GGADLP CC[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000675885649 566668265 /nfs/dbraw/zinc/66/82/65/566668265.db2.gz FXQVFSJMNLLZQA-APWZRJJASA-N 2 2 386.367 3.441 20 0 GGADLP CC[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000675885651 566668826 /nfs/dbraw/zinc/66/88/26/566668826.db2.gz FXQVFSJMNLLZQA-QFBILLFUSA-N 2 2 386.367 3.441 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(Br)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366953 566669973 /nfs/dbraw/zinc/66/99/73/566669973.db2.gz ZODIMBLKSMJVSC-IBGZPJMESA-N 2 2 375.310 3.176 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(Br)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366953 566669978 /nfs/dbraw/zinc/66/99/78/566669978.db2.gz ZODIMBLKSMJVSC-IBGZPJMESA-N 2 2 375.310 3.176 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000467834653 566670342 /nfs/dbraw/zinc/67/03/42/566670342.db2.gz LMUZKEPOBIJYQL-YOEHRIQHSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000467834653 566670351 /nfs/dbraw/zinc/67/03/51/566670351.db2.gz LMUZKEPOBIJYQL-YOEHRIQHSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)[C@@H](C)C1 ZINC000450452012 566671905 /nfs/dbraw/zinc/67/19/05/566671905.db2.gz GVGWPQXBEBTHAZ-NWDGAFQWSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)[C@@H](C)C1 ZINC000450452012 566671911 /nfs/dbraw/zinc/67/19/11/566671911.db2.gz GVGWPQXBEBTHAZ-NWDGAFQWSA-N 2 2 382.277 3.028 20 0 GGADLP O[C@H]1CCCC[C@@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000580198021 566673335 /nfs/dbraw/zinc/67/33/35/566673335.db2.gz OBMMKGMXPJOJHH-ZBFHGGJFSA-N 2 2 382.302 3.292 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000629657201 566677392 /nfs/dbraw/zinc/67/73/92/566677392.db2.gz UUTXPUWRIBWWNI-CHWSQXEVSA-N 2 2 378.460 3.385 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000629657201 566677399 /nfs/dbraw/zinc/67/73/99/566677399.db2.gz UUTXPUWRIBWWNI-CHWSQXEVSA-N 2 2 378.460 3.385 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000467985864 566678540 /nfs/dbraw/zinc/67/85/40/566678540.db2.gz VHILTNUNAPHCJE-OAHLLOKOSA-N 2 2 384.615 3.389 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000467985864 566678543 /nfs/dbraw/zinc/67/85/43/566678543.db2.gz VHILTNUNAPHCJE-OAHLLOKOSA-N 2 2 384.615 3.389 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000425915512 566681264 /nfs/dbraw/zinc/68/12/64/566681264.db2.gz AKPFYTHIXMKWKG-QWHCGFSZSA-N 2 2 380.334 3.187 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000425915513 566681405 /nfs/dbraw/zinc/68/14/05/566681405.db2.gz AKPFYTHIXMKWKG-STQMWFEESA-N 2 2 380.334 3.187 20 0 GGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000450530766 566681781 /nfs/dbraw/zinc/68/17/81/566681781.db2.gz QMQAYELJMRWBLO-QWHCGFSZSA-N 2 2 394.288 3.436 20 0 GGADLP CN(CCC[N@H+](C)Cc1c(F)ccc(Br)c1F)CC[NH+](C)C ZINC000580374032 566688442 /nfs/dbraw/zinc/68/84/42/566688442.db2.gz WLKLPZFCSGGJLH-UHFFFAOYSA-N 2 2 378.305 3.043 20 0 GGADLP CN(CCC[N@@H+](C)Cc1c(F)ccc(Br)c1F)CC[NH+](C)C ZINC000580374032 566688447 /nfs/dbraw/zinc/68/84/47/566688447.db2.gz WLKLPZFCSGGJLH-UHFFFAOYSA-N 2 2 378.305 3.043 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]Cc3cc(Br)c4c(c3)OCCO4)n2c1 ZINC000676414689 566690548 /nfs/dbraw/zinc/69/05/48/566690548.db2.gz GZYKPVKZGNWCEN-UHFFFAOYSA-N 2 2 388.265 3.466 20 0 GGADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000608014252 566691434 /nfs/dbraw/zinc/69/14/34/566691434.db2.gz WWJYEEMCYHSCFJ-IAGOWNOFSA-N 2 2 376.298 3.033 20 0 GGADLP Cc1ccc(Br)cc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450651632 566694804 /nfs/dbraw/zinc/69/48/04/566694804.db2.gz LMRYMOYUTNYYNW-INIZCTEOSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1ccc(Br)cc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450651632 566694809 /nfs/dbraw/zinc/69/48/09/566694809.db2.gz LMRYMOYUTNYYNW-INIZCTEOSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1ccc(Br)cc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450651632 566694813 /nfs/dbraw/zinc/69/48/13/566694813.db2.gz LMRYMOYUTNYYNW-INIZCTEOSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1ccc(Br)cc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450651632 566694816 /nfs/dbraw/zinc/69/48/16/566694816.db2.gz LMRYMOYUTNYYNW-INIZCTEOSA-N 2 2 380.374 3.358 20 0 GGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Br)cccc12 ZINC000561356684 566698237 /nfs/dbraw/zinc/69/82/37/566698237.db2.gz XZUBHNHVYCCVKX-KGLIPLIRSA-N 2 2 376.298 3.297 20 0 GGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Br)cccc12 ZINC000561356685 566698550 /nfs/dbraw/zinc/69/85/50/566698550.db2.gz XZUBHNHVYCCVKX-UONOGXRCSA-N 2 2 376.298 3.297 20 0 GGADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000608082860 566701124 /nfs/dbraw/zinc/70/11/24/566701124.db2.gz NJMLIZNXPLFQDW-ROUUACIJSA-N 2 2 376.298 3.033 20 0 GGADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000608082859 566701641 /nfs/dbraw/zinc/70/16/41/566701641.db2.gz NJMLIZNXPLFQDW-QZTJIDSGSA-N 2 2 376.298 3.033 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C1 ZINC000580541959 566703104 /nfs/dbraw/zinc/70/31/04/566703104.db2.gz MAMCXEUCXFYNAH-RHSMWYFYSA-N 2 2 386.323 3.150 20 0 GGADLP Brc1cccc2c(N3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c12 ZINC000426889179 566738147 /nfs/dbraw/zinc/73/81/47/566738147.db2.gz DFDOZLCWIQNOGM-CQSZACIVSA-N 2 2 376.298 3.156 20 0 GGADLP Cc1cccc(Br)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000515931855 566739358 /nfs/dbraw/zinc/73/93/58/566739358.db2.gz BGKFIMIAMHHAHX-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427115600 566748441 /nfs/dbraw/zinc/74/84/41/566748441.db2.gz VEFQFCLYJXTWID-YOEHRIQHSA-N 2 2 383.330 3.048 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427115600 566748447 /nfs/dbraw/zinc/74/84/47/566748447.db2.gz VEFQFCLYJXTWID-YOEHRIQHSA-N 2 2 383.330 3.048 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427107658 566748841 /nfs/dbraw/zinc/74/88/41/566748841.db2.gz LKQKJMNRTUUNLR-BEFAXECRSA-N 2 2 389.341 3.435 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427107658 566748845 /nfs/dbraw/zinc/74/88/45/566748845.db2.gz LKQKJMNRTUUNLR-BEFAXECRSA-N 2 2 389.341 3.435 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]CCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000581123600 566750218 /nfs/dbraw/zinc/75/02/18/566750218.db2.gz GLAOUNSDMFSJNE-MAUKXSAKSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]CCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000581123600 566750226 /nfs/dbraw/zinc/75/02/26/566750226.db2.gz GLAOUNSDMFSJNE-MAUKXSAKSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]CCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000581123601 566751222 /nfs/dbraw/zinc/75/12/22/566751222.db2.gz GLAOUNSDMFSJNE-QAPCUYQASA-N 2 2 377.330 3.146 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]CCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000581123601 566751226 /nfs/dbraw/zinc/75/12/26/566751226.db2.gz GLAOUNSDMFSJNE-QAPCUYQASA-N 2 2 377.330 3.146 20 0 GGADLP CN(Cc1ccc(Cl)cc1Cl)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000677577135 566754788 /nfs/dbraw/zinc/75/47/88/566754788.db2.gz DVKYMQDGEVFCRL-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000469058368 566757544 /nfs/dbraw/zinc/75/75/44/566757544.db2.gz OYQZAGKUILYKFY-CRAIPNDOSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000469058368 566757549 /nfs/dbraw/zinc/75/75/49/566757549.db2.gz OYQZAGKUILYKFY-CRAIPNDOSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000469058761 566757741 /nfs/dbraw/zinc/75/77/41/566757741.db2.gz OYQZAGKUILYKFY-QAPCUYQASA-N 2 2 377.330 3.288 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000469058761 566757745 /nfs/dbraw/zinc/75/77/45/566757745.db2.gz OYQZAGKUILYKFY-QAPCUYQASA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000516488855 566764834 /nfs/dbraw/zinc/76/48/34/566764834.db2.gz NEVAOVLLKQKXAX-OAHLLOKOSA-N 2 2 383.330 3.013 20 0 GGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000516488855 566764840 /nfs/dbraw/zinc/76/48/40/566764840.db2.gz NEVAOVLLKQKXAX-OAHLLOKOSA-N 2 2 383.330 3.013 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000654995738 566769723 /nfs/dbraw/zinc/76/97/23/566769723.db2.gz AODUSZNCNRWIAX-AWEZNQCLSA-N 2 2 384.351 3.414 20 0 GGADLP O=C(C[NH+]1CCCC1)N1CC[NH+](Cc2sc3ccccc3c2Cl)CC1 ZINC000489124725 566772829 /nfs/dbraw/zinc/77/28/29/566772829.db2.gz DBGLXTAWTACNFQ-UHFFFAOYSA-N 2 2 377.941 3.295 20 0 GGADLP C[C@H](CCCC[NH3+])NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000516926863 566793043 /nfs/dbraw/zinc/79/30/43/566793043.db2.gz ZXOPAYZZSDDFJY-RHSMWYFYSA-N 2 2 382.346 3.220 20 0 GGADLP CN(C(=O)c1cc(Cl)cc(Cl)c1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246940 566794901 /nfs/dbraw/zinc/79/49/01/566794901.db2.gz MQMQGDCXLWMINL-AWEZNQCLSA-N 2 2 388.314 3.373 20 0 GGADLP CN(C(=O)c1cc(Cl)cc(Cl)c1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246940 566794909 /nfs/dbraw/zinc/79/49/09/566794909.db2.gz MQMQGDCXLWMINL-AWEZNQCLSA-N 2 2 388.314 3.373 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000581681656 566798454 /nfs/dbraw/zinc/79/84/54/566798454.db2.gz AADKXEWWCZBNDR-CQSZACIVSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000581681656 566798460 /nfs/dbraw/zinc/79/84/60/566798460.db2.gz AADKXEWWCZBNDR-CQSZACIVSA-N 2 2 381.314 3.153 20 0 GGADLP O=C(C[NH2+][C@H](c1cccs1)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000542508986 566807115 /nfs/dbraw/zinc/80/71/15/566807115.db2.gz DRIPOMUQUBDHQI-IBGZPJMESA-N 2 2 375.563 3.195 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469743803 566810781 /nfs/dbraw/zinc/81/07/81/566810781.db2.gz HRZNJNZSVMCACW-INIZCTEOSA-N 2 2 390.281 3.244 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469743803 566810788 /nfs/dbraw/zinc/81/07/88/566810788.db2.gz HRZNJNZSVMCACW-INIZCTEOSA-N 2 2 390.281 3.244 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000428035420 566812806 /nfs/dbraw/zinc/81/28/06/566812806.db2.gz FVYBEQATFPHFBK-FHLIZLRMSA-N 2 2 382.335 3.341 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000428035420 566812810 /nfs/dbraw/zinc/81/28/10/566812810.db2.gz FVYBEQATFPHFBK-FHLIZLRMSA-N 2 2 382.335 3.341 20 0 GGADLP Cn1ncc(Br)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000631683738 566816296 /nfs/dbraw/zinc/81/62/96/566816296.db2.gz IOEUHPLRGXODSD-BJWYYQGGSA-N 2 2 389.341 3.468 20 0 GGADLP Cn1ncc(Br)c1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631683738 566816300 /nfs/dbraw/zinc/81/63/00/566816300.db2.gz IOEUHPLRGXODSD-BJWYYQGGSA-N 2 2 389.341 3.468 20 0 GGADLP CCCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469868609 566821317 /nfs/dbraw/zinc/82/13/17/566821317.db2.gz FPUYNDAMKHIURF-DZKIICNBSA-N 2 2 383.330 3.416 20 0 GGADLP CCCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000469868609 566821323 /nfs/dbraw/zinc/82/13/23/566821323.db2.gz FPUYNDAMKHIURF-DZKIICNBSA-N 2 2 383.330 3.416 20 0 GGADLP COc1ccc(Br)c([C@H](CO)[N@@H+](C)CCCCn2cc[nH+]c2C)c1 ZINC000451456186 566821799 /nfs/dbraw/zinc/82/17/99/566821799.db2.gz KRPZVNVSSFHULS-SFHVURJKSA-N 2 2 396.329 3.408 20 0 GGADLP CCCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469868612 566822262 /nfs/dbraw/zinc/82/22/62/566822262.db2.gz FPUYNDAMKHIURF-SQWLQELKSA-N 2 2 383.330 3.416 20 0 GGADLP CCCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469868612 566822269 /nfs/dbraw/zinc/82/22/69/566822269.db2.gz FPUYNDAMKHIURF-SQWLQELKSA-N 2 2 383.330 3.416 20 0 GGADLP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(Br)c1OC(F)F ZINC000469878086 566823407 /nfs/dbraw/zinc/82/34/07/566823407.db2.gz AQCZXXNSLGBYOI-LOWVWBTDSA-N 2 2 391.256 3.228 20 0 GGADLP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(Br)c1OC(F)F ZINC000469878086 566823417 /nfs/dbraw/zinc/82/34/17/566823417.db2.gz AQCZXXNSLGBYOI-LOWVWBTDSA-N 2 2 391.256 3.228 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678930077 566825336 /nfs/dbraw/zinc/82/53/36/566825336.db2.gz PQZBWUZWPPBJDH-KRWDZBQOSA-N 2 2 383.330 3.191 20 0 GGADLP Brc1ccn2cc(CNc3ccc(Cn4cc[nH+]c4)c[nH+]3)nc2c1 ZINC000517441852 566827133 /nfs/dbraw/zinc/82/71/33/566827133.db2.gz HVIUUBCYXHGSRI-UHFFFAOYSA-N 2 2 383.253 3.349 20 0 GGADLP Fc1c(Cl)cc(Cl)cc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000631826943 566830504 /nfs/dbraw/zinc/83/05/04/566830504.db2.gz ARKMRLALQKRZFP-UHFFFAOYSA-N 2 2 384.286 3.207 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000469995507 566835155 /nfs/dbraw/zinc/83/51/55/566835155.db2.gz BIUHZLCNPYLFBX-GJZGRUSLSA-N 2 2 385.346 3.424 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000469995507 566835160 /nfs/dbraw/zinc/83/51/60/566835160.db2.gz BIUHZLCNPYLFBX-GJZGRUSLSA-N 2 2 385.346 3.424 20 0 GGADLP CCOc1c(Br)cc(C[N@H+](C)[C@@H](C)C[NH3+])cc1Br ZINC000470017183 566838878 /nfs/dbraw/zinc/83/88/78/566838878.db2.gz IAOLGEMUXSGEDZ-VIFPVBQESA-N 2 2 380.124 3.389 20 0 GGADLP CCOc1c(Br)cc(C[N@@H+](C)[C@@H](C)C[NH3+])cc1Br ZINC000470017183 566838885 /nfs/dbraw/zinc/83/88/85/566838885.db2.gz IAOLGEMUXSGEDZ-VIFPVBQESA-N 2 2 380.124 3.389 20 0 GGADLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000470014589 566839257 /nfs/dbraw/zinc/83/92/57/566839257.db2.gz CKGZDEWLTXDPFM-JTQLQIEISA-N 2 2 379.245 3.230 20 0 GGADLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000470014589 566839263 /nfs/dbraw/zinc/83/92/63/566839263.db2.gz CKGZDEWLTXDPFM-JTQLQIEISA-N 2 2 379.245 3.230 20 0 GGADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)sc2C1 ZINC000517705261 566842508 /nfs/dbraw/zinc/84/25/08/566842508.db2.gz NDUMTBJVDNUDCK-INIZCTEOSA-N 2 2 378.929 3.416 20 0 GGADLP CC[N@H+]1CCc2nc(NC(=O)[C@H](c3cccc(Cl)c3)[NH+](C)C)sc2C1 ZINC000517705261 566842513 /nfs/dbraw/zinc/84/25/13/566842513.db2.gz NDUMTBJVDNUDCK-INIZCTEOSA-N 2 2 378.929 3.416 20 0 GGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000562990903 566842511 /nfs/dbraw/zinc/84/25/11/566842511.db2.gz JLOWWVUCILJJJI-HNNXBMFYSA-N 2 2 399.716 3.378 20 0 GGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCn2cc(Br)cn2)CC1 ZINC000490327399 566843281 /nfs/dbraw/zinc/84/32/81/566843281.db2.gz NQEMICRIYZKGAS-UHFFFAOYSA-N 2 2 383.256 3.042 20 0 GGADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000562999703 566843496 /nfs/dbraw/zinc/84/34/96/566843496.db2.gz DDUAARITCGLJGU-ARULTKQDSA-N 2 2 387.351 3.157 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490325277 566843805 /nfs/dbraw/zinc/84/38/05/566843805.db2.gz AONYSTFTOYYYLJ-MAUKXSAKSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490325277 566843808 /nfs/dbraw/zinc/84/38/08/566843808.db2.gz AONYSTFTOYYYLJ-MAUKXSAKSA-N 2 2 377.330 3.146 20 0 GGADLP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c(Cl)c1 ZINC000655760425 566845752 /nfs/dbraw/zinc/84/57/52/566845752.db2.gz PZTXRBJDDUTNSI-SJORKVTESA-N 2 2 384.351 3.415 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](CCOc3ccc(Br)cc3)CC2)c1 ZINC000517908742 566853210 /nfs/dbraw/zinc/85/32/10/566853210.db2.gz JHCQFGHHFWQSTE-UHFFFAOYSA-N 2 2 392.297 3.054 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000470169376 566853555 /nfs/dbraw/zinc/85/35/55/566853555.db2.gz DUIAYFFPBQBMLT-GXTWGEPZSA-N 2 2 380.334 3.133 20 0 GGADLP Cc1cccn2c(C[NH2+]C[C@@H](CO)Cc3ccccc3Br)c[nH+]c12 ZINC000428541635 566854644 /nfs/dbraw/zinc/85/46/44/566854644.db2.gz VXSYMJVCFRCGEZ-HNNXBMFYSA-N 2 2 388.309 3.346 20 0 GGADLP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)s1 ZINC000543441775 566882078 /nfs/dbraw/zinc/88/20/78/566882078.db2.gz SFMMOMCZBGYSEU-OAHLLOKOSA-N 2 2 377.579 3.421 20 0 GGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988393 566888498 /nfs/dbraw/zinc/88/84/98/566888498.db2.gz PHHJIVYTFVMFNW-GPMSIDNRSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988393 566888504 /nfs/dbraw/zinc/88/85/04/566888504.db2.gz PHHJIVYTFVMFNW-GPMSIDNRSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ncc(Br)cc1F ZINC000582730406 566889203 /nfs/dbraw/zinc/88/92/03/566889203.db2.gz MXTMQVYNMWZMSI-GFCCVEGCSA-N 2 2 397.292 3.169 20 0 GGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000491056495 566892521 /nfs/dbraw/zinc/89/25/21/566892521.db2.gz BINFSESEEOOHMB-QZTJIDSGSA-N 2 2 381.289 3.190 20 0 GGADLP Fc1cc2c(cc1Br)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CO2 ZINC000656260290 566894210 /nfs/dbraw/zinc/89/42/10/566894210.db2.gz TUTHCQCYBLRDFX-DYVFJYSZSA-N 2 2 399.304 3.255 20 0 GGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1oc2ccccc2c1Br ZINC000656261931 566895682 /nfs/dbraw/zinc/89/56/82/566895682.db2.gz NMNASWCSWPZZOI-UHFFFAOYSA-N 2 2 380.330 3.265 20 0 GGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1oc2ccccc2c1Br ZINC000656261931 566895686 /nfs/dbraw/zinc/89/56/86/566895686.db2.gz NMNASWCSWPZZOI-UHFFFAOYSA-N 2 2 380.330 3.265 20 0 GGADLP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000543652580 566896463 /nfs/dbraw/zinc/89/64/63/566896463.db2.gz SXCYSIXAOZJJAK-UHFFFAOYSA-N 2 2 380.941 3.485 20 0 GGADLP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)c1 ZINC000543652580 566896467 /nfs/dbraw/zinc/89/64/67/566896467.db2.gz SXCYSIXAOZJJAK-UHFFFAOYSA-N 2 2 380.941 3.485 20 0 GGADLP Cc1cc(N)nc(SCC(CSc2nc(N)cc(C)[nH+]2)C(C)(C)C)[nH+]1 ZINC000543638976 566897232 /nfs/dbraw/zinc/89/72/32/566897232.db2.gz UPIUZQRRAILHBJ-UHFFFAOYSA-N 2 2 378.571 3.255 20 0 GGADLP C[N@H+](Cc1cccc2c(Br)cccc12)C1CC[NH+](CCO)CC1 ZINC000429055161 566906745 /nfs/dbraw/zinc/90/67/45/566906745.db2.gz LRJZZRQWSQIKOD-UHFFFAOYSA-N 2 2 377.326 3.491 20 0 GGADLP C[N@@H+](Cc1cccc2c(Br)cccc12)C1CC[NH+](CCO)CC1 ZINC000429055161 566906753 /nfs/dbraw/zinc/90/67/53/566906753.db2.gz LRJZZRQWSQIKOD-UHFFFAOYSA-N 2 2 377.326 3.491 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470983289 566920297 /nfs/dbraw/zinc/92/02/97/566920297.db2.gz NWSRJWAVYLWFLZ-ZBFHGGJFSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470983289 566920302 /nfs/dbraw/zinc/92/03/02/566920302.db2.gz NWSRJWAVYLWFLZ-ZBFHGGJFSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470983289 566920311 /nfs/dbraw/zinc/92/03/11/566920311.db2.gz NWSRJWAVYLWFLZ-ZBFHGGJFSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470983289 566920320 /nfs/dbraw/zinc/92/03/20/566920320.db2.gz NWSRJWAVYLWFLZ-ZBFHGGJFSA-N 2 2 394.357 3.440 20 0 GGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(I)c(Cl)c2)n1C ZINC000583095576 566920534 /nfs/dbraw/zinc/92/05/34/566920534.db2.gz NWUFEVSLNAKLPF-UHFFFAOYSA-N 2 2 375.641 3.276 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)CCC2 ZINC000563881465 566924745 /nfs/dbraw/zinc/92/47/45/566924745.db2.gz JDUWHGHRNXXYFF-UKRRQHHQSA-N 2 2 384.307 3.405 20 0 GGADLP CC(C)[N@H+](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000583218742 566930254 /nfs/dbraw/zinc/93/02/54/566930254.db2.gz IGMRRUVIUSKSIU-UHFFFAOYSA-N 2 2 393.329 3.015 20 0 GGADLP CC(C)[N@@H+](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000583218742 566930261 /nfs/dbraw/zinc/93/02/61/566930261.db2.gz IGMRRUVIUSKSIU-UHFFFAOYSA-N 2 2 393.329 3.015 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000471179630 566934533 /nfs/dbraw/zinc/93/45/33/566934533.db2.gz VDOPXUPFSNQLIO-CQSZACIVSA-N 2 2 381.307 3.255 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000471179630 566934538 /nfs/dbraw/zinc/93/45/38/566934538.db2.gz VDOPXUPFSNQLIO-CQSZACIVSA-N 2 2 381.307 3.255 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccc(Br)c3cccnc23)CC1 ZINC000544064971 566934667 /nfs/dbraw/zinc/93/46/67/566934667.db2.gz BZLHCWLLCZHULC-UHFFFAOYSA-N 2 2 386.297 3.053 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429554363 566937573 /nfs/dbraw/zinc/93/75/73/566937573.db2.gz IXZOGAZXCOXBLO-QAPCUYQASA-N 2 2 396.373 3.212 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429554363 566937582 /nfs/dbraw/zinc/93/75/82/566937582.db2.gz IXZOGAZXCOXBLO-QAPCUYQASA-N 2 2 396.373 3.212 20 0 GGADLP Cc1ccsc1CNC(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107268 566937882 /nfs/dbraw/zinc/93/78/82/566937882.db2.gz ATFKYBXOBNYCGY-UHFFFAOYSA-N 2 2 377.476 3.021 20 0 GGADLP Cc1ccsc1CNC(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452107268 566937889 /nfs/dbraw/zinc/93/78/89/566937889.db2.gz ATFKYBXOBNYCGY-UHFFFAOYSA-N 2 2 377.476 3.021 20 0 GGADLP C[N@H+](CC(=O)NCc1ccc(Cl)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452114067 566939475 /nfs/dbraw/zinc/93/94/75/566939475.db2.gz IZXPFHOZBZTMJZ-UHFFFAOYSA-N 2 2 397.894 3.366 20 0 GGADLP C[N@@H+](CC(=O)NCc1ccc(Cl)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452114067 566939484 /nfs/dbraw/zinc/93/94/84/566939484.db2.gz IZXPFHOZBZTMJZ-UHFFFAOYSA-N 2 2 397.894 3.366 20 0 GGADLP COC(=O)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(Br)c1 ZINC000519478839 566941703 /nfs/dbraw/zinc/94/17/03/566941703.db2.gz YAVQEWISAREWAQ-UHFFFAOYSA-N 2 2 380.286 3.263 20 0 GGADLP COC(=O)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(Br)c1 ZINC000519478839 566941707 /nfs/dbraw/zinc/94/17/07/566941707.db2.gz YAVQEWISAREWAQ-UHFFFAOYSA-N 2 2 380.286 3.263 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000519534258 566945590 /nfs/dbraw/zinc/94/55/90/566945590.db2.gz WDFTYEGOCWMELB-GFCCVEGCSA-N 2 2 377.279 3.297 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000519534258 566945593 /nfs/dbraw/zinc/94/55/93/566945593.db2.gz WDFTYEGOCWMELB-GFCCVEGCSA-N 2 2 377.279 3.297 20 0 GGADLP COC(=O)[C@H]1CC12CC[NH+](Cc1c[nH+]c3c(C)cc(Br)cn13)CC2 ZINC000544347547 566956632 /nfs/dbraw/zinc/95/66/32/566956632.db2.gz ZACJEFJEPMIXLU-OAHLLOKOSA-N 2 2 392.297 3.180 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@H]([NH+]4CCCCC4)C3)c[nH+]c12 ZINC000544348965 566956741 /nfs/dbraw/zinc/95/67/41/566956741.db2.gz NVPKBYKCJXLOGE-INIZCTEOSA-N 2 2 377.330 3.465 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Br)cs1 ZINC000493895416 566959097 /nfs/dbraw/zinc/95/90/97/566959097.db2.gz WXVBKQXHSJLRDF-OCCSQVGLSA-N 2 2 388.375 3.104 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Br)cs1 ZINC000493895416 566959100 /nfs/dbraw/zinc/95/91/00/566959100.db2.gz WXVBKQXHSJLRDF-OCCSQVGLSA-N 2 2 388.375 3.104 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681210248 566960784 /nfs/dbraw/zinc/96/07/84/566960784.db2.gz JVMDQSQIARFGQB-ZFWWWQNUSA-N 2 2 384.977 3.272 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681210248 566960789 /nfs/dbraw/zinc/96/07/89/566960789.db2.gz JVMDQSQIARFGQB-ZFWWWQNUSA-N 2 2 384.977 3.272 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]21 ZINC000583565409 566963877 /nfs/dbraw/zinc/96/38/77/566963877.db2.gz LDECXDWRLJNSPK-IFUGULHKSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]21 ZINC000583565409 566963882 /nfs/dbraw/zinc/96/38/82/566963882.db2.gz LDECXDWRLJNSPK-IFUGULHKSA-N 2 2 375.822 3.357 20 0 GGADLP CSc1ccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000519729429 566963945 /nfs/dbraw/zinc/96/39/45/566963945.db2.gz VFQLJKFQEOLYFY-UHFFFAOYSA-N 2 2 375.563 3.147 20 0 GGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000430135755 566989888 /nfs/dbraw/zinc/98/98/88/566989888.db2.gz UMVQGZAMRHZAEL-SFHVURJKSA-N 2 2 375.314 3.162 20 0 GGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000430135755 566989895 /nfs/dbraw/zinc/98/98/95/566989895.db2.gz UMVQGZAMRHZAEL-SFHVURJKSA-N 2 2 375.314 3.162 20 0 GGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000430135755 566989898 /nfs/dbraw/zinc/98/98/98/566989898.db2.gz UMVQGZAMRHZAEL-SFHVURJKSA-N 2 2 375.314 3.162 20 0 GGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000430135755 566989905 /nfs/dbraw/zinc/98/99/05/566989905.db2.gz UMVQGZAMRHZAEL-SFHVURJKSA-N 2 2 375.314 3.162 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494391404 566996962 /nfs/dbraw/zinc/99/69/62/566996962.db2.gz KDJJVEAPVAFSID-INIZCTEOSA-N 2 2 386.297 3.244 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)[nH+]c12 ZINC000544858194 567002870 /nfs/dbraw/zinc/00/28/70/567002870.db2.gz DFFVWEMYNNDPKP-MCIONIFRSA-N 2 2 393.329 3.283 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000584001873 567003420 /nfs/dbraw/zinc/00/34/20/567003420.db2.gz CKHMGNHTYZZSQE-ZDUSSCGKSA-N 2 2 377.286 3.001 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000584001873 567003430 /nfs/dbraw/zinc/00/34/30/567003430.db2.gz CKHMGNHTYZZSQE-ZDUSSCGKSA-N 2 2 377.286 3.001 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1Cl ZINC000564791800 567008042 /nfs/dbraw/zinc/00/80/42/567008042.db2.gz IPHSMGPVAWWGSD-AEFFLSMTSA-N 2 2 378.925 3.326 20 0 GGADLP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1Br ZINC000564841270 567012804 /nfs/dbraw/zinc/01/28/04/567012804.db2.gz UCWCVDUTOUXYES-OAHLLOKOSA-N 2 2 378.318 3.275 20 0 GGADLP CC1(C)CC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC(C)(C)[NH2+]1 ZINC000584120990 567013257 /nfs/dbraw/zinc/01/32/57/567013257.db2.gz XYSIXHHXTAVADO-UHFFFAOYSA-N 2 2 392.345 3.429 20 0 GGADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@H](C)O1 ZINC000564861735 567014595 /nfs/dbraw/zinc/01/45/95/567014595.db2.gz BLHUBFUVSQZRAD-KUHBDSFDSA-N 2 2 387.351 3.299 20 0 GGADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@H](C)O1 ZINC000564861735 567014599 /nfs/dbraw/zinc/01/45/99/567014599.db2.gz BLHUBFUVSQZRAD-KUHBDSFDSA-N 2 2 387.351 3.299 20 0 GGADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@H](C)O1 ZINC000564861733 567014874 /nfs/dbraw/zinc/01/48/74/567014874.db2.gz BLHUBFUVSQZRAD-IMPMIVQMSA-N 2 2 387.351 3.299 20 0 GGADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@H](C)O1 ZINC000564861733 567014880 /nfs/dbraw/zinc/01/48/80/567014880.db2.gz BLHUBFUVSQZRAD-IMPMIVQMSA-N 2 2 387.351 3.299 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000545159580 567023890 /nfs/dbraw/zinc/02/38/90/567023890.db2.gz RMYHVLSOXYFXQV-RTBURBONSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000545159580 567023897 /nfs/dbraw/zinc/02/38/97/567023897.db2.gz RMYHVLSOXYFXQV-RTBURBONSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000545159579 567024353 /nfs/dbraw/zinc/02/43/53/567024353.db2.gz RMYHVLSOXYFXQV-RBUKOAKNSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000545159579 567024357 /nfs/dbraw/zinc/02/43/57/567024357.db2.gz RMYHVLSOXYFXQV-RBUKOAKNSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000545159466 567024612 /nfs/dbraw/zinc/02/46/12/567024612.db2.gz LMDWUELUQZHWOW-MOPGFXCFSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000545159466 567024616 /nfs/dbraw/zinc/02/46/16/567024616.db2.gz LMDWUELUQZHWOW-MOPGFXCFSA-N 2 2 393.300 3.334 20 0 GGADLP C[NH+](C)[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000584269638 567027145 /nfs/dbraw/zinc/02/71/45/567027145.db2.gz YABIXHQQYIYSQN-INIZCTEOSA-N 2 2 377.945 3.398 20 0 GGADLP C[NH+](C)[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1ccc(Cl)cc1 ZINC000584269639 567027407 /nfs/dbraw/zinc/02/74/07/567027407.db2.gz YABIXHQQYIYSQN-MRXNPFEDSA-N 2 2 377.945 3.398 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(CNc3cc[nH+]cc3Br)cc2)C[C@H](C)O1 ZINC000545240271 567033384 /nfs/dbraw/zinc/03/33/84/567033384.db2.gz LAQUYQNYAXXRJO-GASCZTMLSA-N 2 2 390.325 3.487 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(CNc3cc[nH+]cc3Br)cc2)C[C@H](C)O1 ZINC000545240271 567033390 /nfs/dbraw/zinc/03/33/90/567033390.db2.gz LAQUYQNYAXXRJO-GASCZTMLSA-N 2 2 390.325 3.487 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000430904244 567039197 /nfs/dbraw/zinc/03/91/97/567039197.db2.gz PVNKHVFZDHCOQR-MJGOQNOKSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430932422 567040649 /nfs/dbraw/zinc/04/06/49/567040649.db2.gz GKKUNYSYGBFFSU-RNCFNFMXSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430932422 567040653 /nfs/dbraw/zinc/04/06/53/567040653.db2.gz GKKUNYSYGBFFSU-RNCFNFMXSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430932423 567040794 /nfs/dbraw/zinc/04/07/94/567040794.db2.gz GKKUNYSYGBFFSU-TVQRCGJNSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430932423 567040798 /nfs/dbraw/zinc/04/07/98/567040798.db2.gz GKKUNYSYGBFFSU-TVQRCGJNSA-N 2 2 394.235 3.076 20 0 GGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)[C@@]12CCCO2 ZINC000545350225 567041553 /nfs/dbraw/zinc/04/15/53/567041553.db2.gz RJDCVUJJRLVMOO-JZXOWHBKSA-N 2 2 394.313 3.221 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000565155956 567044717 /nfs/dbraw/zinc/04/47/17/567044717.db2.gz GTIGKUUTNQJRFU-LRDDRELGSA-N 2 2 379.291 3.322 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000565155956 567044723 /nfs/dbraw/zinc/04/47/23/567044723.db2.gz GTIGKUUTNQJRFU-LRDDRELGSA-N 2 2 379.291 3.322 20 0 GGADLP Brc1ccc(N2CC[C@@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000657325400 567046217 /nfs/dbraw/zinc/04/62/17/567046217.db2.gz DVZITLVUTOWMEP-AWEZNQCLSA-N 2 2 375.314 3.208 20 0 GGADLP CC[N@H+](CCc1cccs1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000521190814 567046507 /nfs/dbraw/zinc/04/65/07/567046507.db2.gz VQDUWGIAGUXDJF-UHFFFAOYSA-N 2 2 377.579 3.018 20 0 GGADLP CC[N@@H+](CCc1cccs1)CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000521190814 567046514 /nfs/dbraw/zinc/04/65/14/567046514.db2.gz VQDUWGIAGUXDJF-UHFFFAOYSA-N 2 2 377.579 3.018 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC000431040655 567049220 /nfs/dbraw/zinc/04/92/20/567049220.db2.gz XMEMORSTGMNRHM-CQSZACIVSA-N 2 2 380.330 3.160 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495185440 567051979 /nfs/dbraw/zinc/05/19/79/567051979.db2.gz VLEOJAXKMYTTLV-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000495185440 567051985 /nfs/dbraw/zinc/05/19/85/567051985.db2.gz VLEOJAXKMYTTLV-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000495185440 567051991 /nfs/dbraw/zinc/05/19/91/567051991.db2.gz VLEOJAXKMYTTLV-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000495185440 567051998 /nfs/dbraw/zinc/05/19/98/567051998.db2.gz VLEOJAXKMYTTLV-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000453107037 567054063 /nfs/dbraw/zinc/05/40/63/567054063.db2.gz HYKVCNGUELLGGI-ZWKOTPCHSA-N 2 2 394.357 3.146 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000453107037 567054069 /nfs/dbraw/zinc/05/40/69/567054069.db2.gz HYKVCNGUELLGGI-ZWKOTPCHSA-N 2 2 394.357 3.146 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@H]3C)nc12 ZINC000545518588 567057437 /nfs/dbraw/zinc/05/74/37/567057437.db2.gz NTSRZNPDIPGFKC-CXAGYDPISA-N 2 2 377.330 3.020 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@H]3C)nc12 ZINC000545518588 567057445 /nfs/dbraw/zinc/05/74/45/567057445.db2.gz NTSRZNPDIPGFKC-CXAGYDPISA-N 2 2 377.330 3.020 20 0 GGADLP CCN(CC)C(=O)C[C@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545519490 567057815 /nfs/dbraw/zinc/05/78/15/567057815.db2.gz MOLKIFRPZMTMEM-AWEZNQCLSA-N 2 2 395.345 3.184 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@@H]3C)nc12 ZINC000545518590 567058432 /nfs/dbraw/zinc/05/84/32/567058432.db2.gz NTSRZNPDIPGFKC-GUYCJALGSA-N 2 2 377.330 3.020 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@@H]3C)nc12 ZINC000545518590 567058442 /nfs/dbraw/zinc/05/84/42/567058442.db2.gz NTSRZNPDIPGFKC-GUYCJALGSA-N 2 2 377.330 3.020 20 0 GGADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C1 ZINC000565367370 567061667 /nfs/dbraw/zinc/06/16/67/567061667.db2.gz LNEOBZLBGHYJAE-WMLDXEAASA-N 2 2 383.323 3.359 20 0 GGADLP Brc1cccc(CN2CCC([NH2+]Cc3c[nH+]c4n3CCC4)CC2)c1 ZINC000657494569 567062678 /nfs/dbraw/zinc/06/26/78/567062678.db2.gz PWGXQHFTNXUYRK-UHFFFAOYSA-N 2 2 389.341 3.346 20 0 GGADLP C[C@H](Sc1ccccc1Cl)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495790132 567066406 /nfs/dbraw/zinc/06/64/06/567066406.db2.gz SJOMDDYKOFUXIZ-HNNXBMFYSA-N 2 2 383.989 3.305 20 0 GGADLP C[C@H](Sc1ccccc1Cl)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495790132 567066411 /nfs/dbraw/zinc/06/64/11/567066411.db2.gz SJOMDDYKOFUXIZ-HNNXBMFYSA-N 2 2 383.989 3.305 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453252830 567066715 /nfs/dbraw/zinc/06/67/15/567066715.db2.gz CJJIDPOVDBNTHY-PBHICJAKSA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453252830 567066720 /nfs/dbraw/zinc/06/67/20/567066720.db2.gz CJJIDPOVDBNTHY-PBHICJAKSA-N 2 2 383.330 3.099 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCSc1ccc(Cl)cc1 ZINC000495821362 567068156 /nfs/dbraw/zinc/06/81/56/567068156.db2.gz VSLQJGVNNMMWKI-UHFFFAOYSA-N 2 2 383.989 3.307 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCSc1ccc(Cl)cc1 ZINC000495821362 567068160 /nfs/dbraw/zinc/06/81/60/567068160.db2.gz VSLQJGVNNMMWKI-UHFFFAOYSA-N 2 2 383.989 3.307 20 0 GGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000565451490 567069414 /nfs/dbraw/zinc/06/94/14/567069414.db2.gz RFURLRQAEBTOCP-NSHDSACASA-N 2 2 394.247 3.389 20 0 GGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000565451490 567069423 /nfs/dbraw/zinc/06/94/23/567069423.db2.gz RFURLRQAEBTOCP-NSHDSACASA-N 2 2 394.247 3.389 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453292112 567073232 /nfs/dbraw/zinc/07/32/32/567073232.db2.gz OLQJMYDRLWNNEJ-HKUYNNGSSA-N 2 2 381.358 3.207 20 0 GGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453292112 567073235 /nfs/dbraw/zinc/07/32/35/567073235.db2.gz OLQJMYDRLWNNEJ-HKUYNNGSSA-N 2 2 381.358 3.207 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2Br)CC1 ZINC000545916989 567088917 /nfs/dbraw/zinc/08/89/17/567088917.db2.gz XIEDOWRGQFFACJ-OAHLLOKOSA-N 2 2 397.357 3.387 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565716634 567092698 /nfs/dbraw/zinc/09/26/98/567092698.db2.gz WOJFUXNQTLFTEP-CVEARBPZSA-N 2 2 389.341 3.293 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565716634 567092702 /nfs/dbraw/zinc/09/27/02/567092702.db2.gz WOJFUXNQTLFTEP-CVEARBPZSA-N 2 2 389.341 3.293 20 0 GGADLP Fc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751170 567093310 /nfs/dbraw/zinc/09/33/10/567093310.db2.gz GPQPZVPKBTXUAL-GFCCVEGCSA-N 2 2 375.257 3.070 20 0 GGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751105 567093723 /nfs/dbraw/zinc/09/37/23/567093723.db2.gz FXTQOWBJOOMVFL-DYVFJYSZSA-N 2 2 385.321 3.362 20 0 GGADLP Cc1cc[nH+]cc1CCC[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000565744726 567094082 /nfs/dbraw/zinc/09/40/82/567094082.db2.gz ZLCSSCPELFYTFV-SFHVURJKSA-N 2 2 388.309 3.480 20 0 GGADLP Brc1ccccc1-n1cc(C[NH2+]CCc2cn3ccccc3[nH+]2)nn1 ZINC000565744963 567094237 /nfs/dbraw/zinc/09/42/37/567094237.db2.gz AXEIHKATLKSWED-UHFFFAOYSA-N 2 2 397.280 3.010 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)[C@]3(O)CCCOC3)c[nH+]c12 ZINC000657766761 567094518 /nfs/dbraw/zinc/09/45/18/567094518.db2.gz WIBDALLQJRDHJB-SFHVURJKSA-N 2 2 396.329 3.063 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+]CC(C)(C)[C@@]3(O)CCCOC3)c[nH+]c12 ZINC000657766760 567094726 /nfs/dbraw/zinc/09/47/26/567094726.db2.gz WIBDALLQJRDHJB-GOSISDBHSA-N 2 2 396.329 3.063 20 0 GGADLP O[C@H](C[N@H+](CCCn1cc[nH+]c1)CCc1ccc(Cl)cc1)C(F)(F)F ZINC000565739550 567094804 /nfs/dbraw/zinc/09/48/04/567094804.db2.gz FNJAZSOEIDHFTD-MRXNPFEDSA-N 2 2 375.822 3.395 20 0 GGADLP O[C@H](C[N@@H+](CCCn1cc[nH+]c1)CCc1ccc(Cl)cc1)C(F)(F)F ZINC000565739550 567094809 /nfs/dbraw/zinc/09/48/09/567094809.db2.gz FNJAZSOEIDHFTD-MRXNPFEDSA-N 2 2 375.822 3.395 20 0 GGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000474012497 567124238 /nfs/dbraw/zinc/12/42/38/567124238.db2.gz SFXIWUDRWXZNKY-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Br)c1 ZINC000683366507 567116961 /nfs/dbraw/zinc/11/69/61/567116961.db2.gz FSLVYUKJBMDBBH-XJKSGUPXSA-N 2 2 389.297 3.157 20 0 GGADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Br)c1 ZINC000683366507 567116966 /nfs/dbraw/zinc/11/69/66/567116966.db2.gz FSLVYUKJBMDBBH-XJKSGUPXSA-N 2 2 389.297 3.157 20 0 GGADLP O=C1[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1cccc(Br)c1 ZINC000683365887 567117566 /nfs/dbraw/zinc/11/75/66/567117566.db2.gz XGJZWDZYIFHSHH-IRXDYDNUSA-N 2 2 389.297 3.088 20 0 GGADLP O=C1[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1cccc(Br)c1 ZINC000683365887 567117571 /nfs/dbraw/zinc/11/75/71/567117571.db2.gz XGJZWDZYIFHSHH-IRXDYDNUSA-N 2 2 389.297 3.088 20 0 GGADLP Cc1c[nH+]ccc1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000473995905 567123948 /nfs/dbraw/zinc/12/39/48/567123948.db2.gz UQXBPXFYISFHMB-UHFFFAOYSA-N 2 2 390.325 3.321 20 0 GGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000474012497 567124226 /nfs/dbraw/zinc/12/42/26/567124226.db2.gz SFXIWUDRWXZNKY-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)Cc3ccccc3)[nH+]c12 ZINC000566130335 567129924 /nfs/dbraw/zinc/12/99/24/567129924.db2.gz BAQGODMPSDUBBF-SFHVURJKSA-N 2 2 388.309 3.141 20 0 GGADLP Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000658292171 567132839 /nfs/dbraw/zinc/13/28/39/567132839.db2.gz PEDFMSZVGGMXEI-RTBURBONSA-N 2 2 379.342 3.149 20 0 GGADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294282 567132963 /nfs/dbraw/zinc/13/29/63/567132963.db2.gz MLYSSBGDCRGWFG-GUYCJALGSA-N 2 2 383.305 3.418 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Br)c1 ZINC000658295320 567134287 /nfs/dbraw/zinc/13/42/87/567134287.db2.gz RQHPYBFFLOVFHJ-UKRRQHHQSA-N 2 2 383.330 3.362 20 0 GGADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294283 567134532 /nfs/dbraw/zinc/13/45/32/567134532.db2.gz MLYSSBGDCRGWFG-SUMWQHHRSA-N 2 2 383.305 3.418 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000658295317 567134584 /nfs/dbraw/zinc/13/45/84/567134584.db2.gz RQHPYBFFLOVFHJ-HIFRSBDPSA-N 2 2 383.330 3.362 20 0 GGADLP Brc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000658292170 567134591 /nfs/dbraw/zinc/13/45/91/567134591.db2.gz PEDFMSZVGGMXEI-RBUKOAKNSA-N 2 2 379.342 3.149 20 0 GGADLP O=C(CC[NH2+]Cc1csc(Cl)c1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000432238424 567139512 /nfs/dbraw/zinc/13/95/12/567139512.db2.gz QNTKDFANFBOQFD-UHFFFAOYSA-N 2 2 399.347 3.278 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)[nH+]c12 ZINC000546931405 567172080 /nfs/dbraw/zinc/17/20/80/567172080.db2.gz XGNUTGBZWJGOFN-UHFFFAOYSA-N 3 2 391.357 3.412 20 0 GGADLP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000474479171 567174237 /nfs/dbraw/zinc/17/42/37/567174237.db2.gz QTLRGQZKXKNRTE-KGLIPLIRSA-N 2 2 383.277 3.487 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000474475547 567174701 /nfs/dbraw/zinc/17/47/01/567174701.db2.gz MWBRBQDQHBEREZ-GHMZBOCLSA-N 2 2 392.231 3.286 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000474475547 567174710 /nfs/dbraw/zinc/17/47/10/567174710.db2.gz MWBRBQDQHBEREZ-GHMZBOCLSA-N 2 2 392.231 3.286 20 0 GGADLP Cc1ccc(CCC[NH2+]CCCNC(=O)c2ccc(Br)cc2)c[nH+]1 ZINC000474603624 567182400 /nfs/dbraw/zinc/18/24/00/567182400.db2.gz FMQCTHBQNNFVLP-UHFFFAOYSA-N 2 2 390.325 3.495 20 0 GGADLP C[C@H](C[NH2+]Cc1c(F)ccc(I)c1F)Cn1cc[nH+]c1 ZINC000474606202 567182964 /nfs/dbraw/zinc/18/29/64/567182964.db2.gz LBARQUOCNCYWOJ-SNVBAGLBSA-N 2 2 391.203 3.192 20 0 GGADLP Cc1ccc(CCC[NH2+]CCCNC(=O)c2cccc(Br)c2)c[nH+]1 ZINC000474618332 567184070 /nfs/dbraw/zinc/18/40/70/567184070.db2.gz CKTSQAOPVFGPGF-UHFFFAOYSA-N 2 2 390.325 3.495 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000566738879 567184668 /nfs/dbraw/zinc/18/46/68/567184668.db2.gz ZERAIMANZFWIMQ-AYDFFVQHSA-N 2 2 380.330 3.144 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000566738879 567184677 /nfs/dbraw/zinc/18/46/77/567184677.db2.gz ZERAIMANZFWIMQ-AYDFFVQHSA-N 2 2 380.330 3.144 20 0 GGADLP COC(=O)c1cccc(Br)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000432773444 567188861 /nfs/dbraw/zinc/18/88/61/567188861.db2.gz GGLJCDABKWRRAP-LBPRGKRZSA-N 2 2 378.270 3.338 20 0 GGADLP COC(=O)c1cccc(Br)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000432773444 567188871 /nfs/dbraw/zinc/18/88/71/567188871.db2.gz GGLJCDABKWRRAP-LBPRGKRZSA-N 2 2 378.270 3.338 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)C1 ZINC000547279721 567195340 /nfs/dbraw/zinc/19/53/40/567195340.db2.gz XLDQPDDKCMYDPO-MOPGFXCFSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)C1 ZINC000547279721 567195346 /nfs/dbraw/zinc/19/53/46/567195346.db2.gz XLDQPDDKCMYDPO-MOPGFXCFSA-N 2 2 393.300 3.334 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000498774777 567201429 /nfs/dbraw/zinc/20/14/29/567201429.db2.gz KTTFYHOSDQGWSV-UHFFFAOYSA-N 2 2 386.367 3.410 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000498774777 567201436 /nfs/dbraw/zinc/20/14/36/567201436.db2.gz KTTFYHOSDQGWSV-UHFFFAOYSA-N 2 2 386.367 3.410 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cc(Br)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000524948165 567222663 /nfs/dbraw/zinc/22/26/63/567222663.db2.gz WNNFNWUYBYQIMD-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cc(Br)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000524948165 567222668 /nfs/dbraw/zinc/22/26/68/567222668.db2.gz WNNFNWUYBYQIMD-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP Cc1ccc(CCC[NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c[nH+]1 ZINC000475204080 567231911 /nfs/dbraw/zinc/23/19/11/567231911.db2.gz RGNXEAIGFARXSA-SFHVURJKSA-N 2 2 388.309 3.480 20 0 GGADLP Brc1cnc2c(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cnn2c1 ZINC000638454213 567250974 /nfs/dbraw/zinc/25/09/74/567250974.db2.gz MHOMEBSHCCLUOX-UHFFFAOYSA-N 2 2 392.345 3.236 20 0 GGADLP O=C(C[NH+]1CCC(c2c[nH+]c[nH]2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000660095335 567259495 /nfs/dbraw/zinc/25/94/95/567259495.db2.gz OSTZCIBPHYAFCL-UHFFFAOYSA-N 2 2 388.269 3.111 20 0 GGADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000567598733 567259848 /nfs/dbraw/zinc/25/98/48/567259848.db2.gz LAOJEOLZNQXNLH-KSSFIOAISA-N 2 2 386.323 3.150 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000591083195 567264324 /nfs/dbraw/zinc/26/43/24/567264324.db2.gz QTLYORKLYRRBFP-RHSMWYFYSA-N 2 2 391.313 3.160 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000591083195 567264333 /nfs/dbraw/zinc/26/43/33/567264333.db2.gz QTLYORKLYRRBFP-RHSMWYFYSA-N 2 2 391.313 3.160 20 0 GGADLP O[C@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)COCc1cccs1 ZINC000567697199 567268746 /nfs/dbraw/zinc/26/87/46/567268746.db2.gz ROUWVMLNHZWJKB-CQSZACIVSA-N 2 2 377.897 3.255 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000567707582 567270962 /nfs/dbraw/zinc/27/09/62/567270962.db2.gz YWRZWUJOIPMHSH-KBXCAEBGSA-N 2 2 392.341 3.353 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000567707582 567270967 /nfs/dbraw/zinc/27/09/67/567270967.db2.gz YWRZWUJOIPMHSH-KBXCAEBGSA-N 2 2 392.341 3.353 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412639 567271223 /nfs/dbraw/zinc/27/12/23/567271223.db2.gz URLWXTQAIOADBI-GJZGRUSLSA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412639 567271228 /nfs/dbraw/zinc/27/12/28/567271228.db2.gz URLWXTQAIOADBI-GJZGRUSLSA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412639 567271233 /nfs/dbraw/zinc/27/12/33/567271233.db2.gz URLWXTQAIOADBI-GJZGRUSLSA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412639 567271239 /nfs/dbraw/zinc/27/12/39/567271239.db2.gz URLWXTQAIOADBI-GJZGRUSLSA-N 2 2 378.567 3.294 20 0 GGADLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000567752482 567273793 /nfs/dbraw/zinc/27/37/93/567273793.db2.gz LVGMYIHPTVEDQB-MRXNPFEDSA-N 2 2 383.330 3.144 20 0 GGADLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000567752482 567273799 /nfs/dbraw/zinc/27/37/99/567273799.db2.gz LVGMYIHPTVEDQB-MRXNPFEDSA-N 2 2 383.330 3.144 20 0 GGADLP COc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000685457891 567275876 /nfs/dbraw/zinc/27/58/76/567275876.db2.gz RORNBAKDACJFOQ-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000685457891 567275883 /nfs/dbraw/zinc/27/58/83/567275883.db2.gz RORNBAKDACJFOQ-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP Cc1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000685457875 567275989 /nfs/dbraw/zinc/27/59/89/567275989.db2.gz RCMGGDJGLJFJAP-SFHVURJKSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000685457875 567275996 /nfs/dbraw/zinc/27/59/96/567275996.db2.gz RCMGGDJGLJFJAP-SFHVURJKSA-N 2 2 380.374 3.358 20 0 GGADLP Cn1c2ccccc2[nH+]c1CCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638870642 567276070 /nfs/dbraw/zinc/27/60/70/567276070.db2.gz DVNSWZMTOOYKHU-UHFFFAOYSA-N 2 2 399.296 3.101 20 0 GGADLP CCc1nn(C)cc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000685461975 567277638 /nfs/dbraw/zinc/27/76/38/567277638.db2.gz FAFGGHTUZCORNV-UHFFFAOYSA-N 2 2 392.301 3.237 20 0 GGADLP CCc1nn(C)cc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000685461975 567277642 /nfs/dbraw/zinc/27/76/42/567277642.db2.gz FAFGGHTUZCORNV-UHFFFAOYSA-N 2 2 392.301 3.237 20 0 GGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000591357047 567278428 /nfs/dbraw/zinc/27/84/28/567278428.db2.gz LKYONEVGDBTAFF-GFCCVEGCSA-N 2 2 376.257 3.250 20 0 GGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000591357047 567278422 /nfs/dbraw/zinc/27/84/22/567278422.db2.gz LKYONEVGDBTAFF-GFCCVEGCSA-N 2 2 376.257 3.250 20 0 GGADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(Cl)ccc1Br ZINC000638988610 567281512 /nfs/dbraw/zinc/28/15/12/567281512.db2.gz ZVGNTUDPDMWQBG-UHFFFAOYSA-N 2 2 395.688 3.159 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499930608 567285645 /nfs/dbraw/zinc/28/56/45/567285645.db2.gz VJVQDXGMIYFOMI-MRXNPFEDSA-N 2 2 396.373 3.214 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499930608 567285653 /nfs/dbraw/zinc/28/56/53/567285653.db2.gz VJVQDXGMIYFOMI-MRXNPFEDSA-N 2 2 396.373 3.214 20 0 GGADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CSc3ccc(Br)cc32)CC1 ZINC000639111684 567287974 /nfs/dbraw/zinc/28/79/74/567287974.db2.gz JGSJLBFBBCBRIO-HNNXBMFYSA-N 2 2 385.371 3.421 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(-c2ccccc2Br)nn1 ZINC000685848688 567304468 /nfs/dbraw/zinc/30/44/68/567304468.db2.gz HRWVJCIZZGJOQL-UHFFFAOYSA-N 2 2 389.301 3.057 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(-c2ccccc2Br)nn1 ZINC000685848688 567304474 /nfs/dbraw/zinc/30/44/74/567304474.db2.gz HRWVJCIZZGJOQL-UHFFFAOYSA-N 2 2 389.301 3.057 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652345 567314612 /nfs/dbraw/zinc/31/46/12/567314612.db2.gz IUPKUNJTXQSIRL-DNVCBOLYSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652345 567314619 /nfs/dbraw/zinc/31/46/19/567314619.db2.gz IUPKUNJTXQSIRL-DNVCBOLYSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652345 567314624 /nfs/dbraw/zinc/31/46/24/567314624.db2.gz IUPKUNJTXQSIRL-DNVCBOLYSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652345 567314628 /nfs/dbraw/zinc/31/46/28/567314628.db2.gz IUPKUNJTXQSIRL-DNVCBOLYSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(F)ccc(Br)c2F)CCCO1 ZINC000500414187 567318827 /nfs/dbraw/zinc/31/88/27/567318827.db2.gz GEDNUSGXLOGMNI-GFCCVEGCSA-N 2 2 377.273 3.318 20 0 GGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(F)ccc(Br)c2F)CCCO1 ZINC000500414187 567318833 /nfs/dbraw/zinc/31/88/33/567318833.db2.gz GEDNUSGXLOGMNI-GFCCVEGCSA-N 2 2 377.273 3.318 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000434681351 567320835 /nfs/dbraw/zinc/32/08/35/567320835.db2.gz NKQALINOBJPNRA-WMLDXEAASA-N 2 2 382.346 3.172 20 0 GGADLP C[C@H](CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000617754777 567333004 /nfs/dbraw/zinc/33/30/04/567333004.db2.gz AIRXOOYUAWBUIM-PBHICJAKSA-N 2 2 382.346 3.042 20 0 GGADLP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000476578546 567337114 /nfs/dbraw/zinc/33/71/14/567337114.db2.gz QJRWGKWSIWBNBG-INIZCTEOSA-N 2 2 386.367 3.458 20 0 GGADLP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000476578546 567337121 /nfs/dbraw/zinc/33/71/21/567337121.db2.gz QJRWGKWSIWBNBG-INIZCTEOSA-N 2 2 386.367 3.458 20 0 GGADLP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000476578546 567337128 /nfs/dbraw/zinc/33/71/28/567337128.db2.gz QJRWGKWSIWBNBG-INIZCTEOSA-N 2 2 386.367 3.458 20 0 GGADLP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000476578546 567337131 /nfs/dbraw/zinc/33/71/31/567337131.db2.gz QJRWGKWSIWBNBG-INIZCTEOSA-N 2 2 386.367 3.458 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC34CCOCC4)[nH+]c12 ZINC000548793524 567351049 /nfs/dbraw/zinc/35/10/49/567351049.db2.gz GDKQUOKNRHXCOM-MRXNPFEDSA-N 2 2 378.314 3.497 20 0 GGADLP Fc1cc(Br)cnc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000527642277 567354494 /nfs/dbraw/zinc/35/44/94/567354494.db2.gz YYWXTFYZIRLSDE-UHFFFAOYSA-N 2 2 394.288 3.105 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ncc(Br)cc2F)[C@@H](C)C1 ZINC000527663082 567358740 /nfs/dbraw/zinc/35/87/40/567358740.db2.gz VSZPMEYVAILRKC-BBRMVZONSA-N 2 2 388.325 3.210 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ncc(Br)cc2F)[C@@H](C)C1 ZINC000527663082 567358745 /nfs/dbraw/zinc/35/87/45/567358745.db2.gz VSZPMEYVAILRKC-BBRMVZONSA-N 2 2 388.325 3.210 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527672515 567359694 /nfs/dbraw/zinc/35/96/94/567359694.db2.gz KLQXKDLAFUHLKF-MFKMUULPSA-N 2 2 381.343 3.473 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527672515 567359700 /nfs/dbraw/zinc/35/97/00/567359700.db2.gz KLQXKDLAFUHLKF-MFKMUULPSA-N 2 2 381.343 3.473 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501122247 567368152 /nfs/dbraw/zinc/36/81/52/567368152.db2.gz PMNZGCQOCXHMNU-SFHVURJKSA-N 2 2 397.357 3.059 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cn1 ZINC000568943345 567368372 /nfs/dbraw/zinc/36/83/72/567368372.db2.gz CTZRNONXRXLAKQ-KKXDTOCCSA-N 2 2 382.346 3.263 20 0 GGADLP Cn1ccnc1C[N@H+](Cc1cc(Br)cs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440408 567368666 /nfs/dbraw/zinc/36/86/66/567368666.db2.gz WKTGVEQCUNVPDT-HNNXBMFYSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1ccnc1C[N@@H+](Cc1cc(Br)cs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440408 567368669 /nfs/dbraw/zinc/36/86/69/567368669.db2.gz WKTGVEQCUNVPDT-HNNXBMFYSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1cc(Br)cs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435440408 567368674 /nfs/dbraw/zinc/36/86/74/567368674.db2.gz WKTGVEQCUNVPDT-HNNXBMFYSA-N 2 2 395.370 3.388 20 0 GGADLP CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435630817 567381224 /nfs/dbraw/zinc/38/12/24/567381224.db2.gz YRVGWJHAOMKTPG-LBPRGKRZSA-N 2 2 390.272 3.130 20 0 GGADLP CC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435630817 567381228 /nfs/dbraw/zinc/38/12/28/567381228.db2.gz YRVGWJHAOMKTPG-LBPRGKRZSA-N 2 2 390.272 3.130 20 0 GGADLP Cc1csc(NC(=O)C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435693844 567384882 /nfs/dbraw/zinc/38/48/82/567384882.db2.gz NRUHTIAWBSYXLA-HNNXBMFYSA-N 2 2 376.551 3.096 20 0 GGADLP Cc1csc(NC(=O)C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435693844 567384885 /nfs/dbraw/zinc/38/48/85/567384885.db2.gz NRUHTIAWBSYXLA-HNNXBMFYSA-N 2 2 376.551 3.096 20 0 GGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000569217972 567388042 /nfs/dbraw/zinc/38/80/42/567388042.db2.gz PEYNZUAGXHFOAD-CRAIPNDOSA-N 2 2 386.323 3.150 20 0 GGADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000593293215 567404643 /nfs/dbraw/zinc/40/46/43/567404643.db2.gz LWLABQBLNGLIRS-CQSZACIVSA-N 2 2 397.342 3.003 20 0 GGADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000593293215 567404649 /nfs/dbraw/zinc/40/46/49/567404649.db2.gz LWLABQBLNGLIRS-CQSZACIVSA-N 2 2 397.342 3.003 20 0 GGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662244691 567422434 /nfs/dbraw/zinc/42/24/34/567422434.db2.gz FLMGNXFHATXRKG-NSHDSACASA-N 2 2 381.236 3.432 20 0 GGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662244691 567422439 /nfs/dbraw/zinc/42/24/39/567422439.db2.gz FLMGNXFHATXRKG-NSHDSACASA-N 2 2 381.236 3.432 20 0 GGADLP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000662290118 567423695 /nfs/dbraw/zinc/42/36/95/567423695.db2.gz KJGHVYQLCZMCKN-HNNXBMFYSA-N 2 2 380.330 3.099 20 0 GGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000550078027 567426232 /nfs/dbraw/zinc/42/62/32/567426232.db2.gz NTHIAHCZIMDAFN-HLLBOEOZSA-N 2 2 381.358 3.395 20 0 GGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000550078027 567426240 /nfs/dbraw/zinc/42/62/40/567426240.db2.gz NTHIAHCZIMDAFN-HLLBOEOZSA-N 2 2 381.358 3.395 20 0 GGADLP C[NH2+][C@@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1Cl ZINC000662377239 567431286 /nfs/dbraw/zinc/43/12/86/567431286.db2.gz GMXMMZQEVDIUDM-QGZVFWFLSA-N 2 2 381.307 3.146 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC[NH+](CCOc3ccc(Br)cc3)CC2)CCO1 ZINC000502659775 567447051 /nfs/dbraw/zinc/44/70/51/567447051.db2.gz ZGGQUNHPYSTYGD-OAHLLOKOSA-N 2 2 383.330 3.013 20 0 GGADLP C[C@@H]1C[N@H+](C2CC[NH+](CCOc3ccc(Br)cc3)CC2)CCO1 ZINC000502659775 567447057 /nfs/dbraw/zinc/44/70/57/567447057.db2.gz ZGGQUNHPYSTYGD-OAHLLOKOSA-N 2 2 383.330 3.013 20 0 GGADLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Br)cc1F ZINC000569960430 567447723 /nfs/dbraw/zinc/44/77/23/567447723.db2.gz HCFRWNPTAIOXKJ-SNVBAGLBSA-N 2 2 382.281 3.024 20 0 GGADLP Brc1ccccc1CCC[N@@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502877024 567459070 /nfs/dbraw/zinc/45/90/70/567459070.db2.gz SHPLLXOEUXPBMH-QGZVFWFLSA-N 2 2 381.358 3.426 20 0 GGADLP Brc1ccccc1CCC[N@H+]1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000502877024 567459072 /nfs/dbraw/zinc/45/90/72/567459072.db2.gz SHPLLXOEUXPBMH-QGZVFWFLSA-N 2 2 381.358 3.426 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000662847591 567465662 /nfs/dbraw/zinc/46/56/62/567465662.db2.gz IHLKBJDHQSERFZ-INIZCTEOSA-N 2 2 382.346 3.004 20 0 GGADLP COC(=O)C1(C[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)CCCC1 ZINC000619654442 567471186 /nfs/dbraw/zinc/47/11/86/567471186.db2.gz MVWIOGYPTIFFDZ-UHFFFAOYSA-N 2 2 380.286 3.228 20 0 GGADLP OCc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)o1 ZINC000570366058 567479129 /nfs/dbraw/zinc/47/91/29/567479129.db2.gz XHJMPTHIALMNBO-UHFFFAOYSA-N 2 2 380.242 3.026 20 0 GGADLP OCc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)o1 ZINC000570366058 567479135 /nfs/dbraw/zinc/47/91/35/567479135.db2.gz XHJMPTHIALMNBO-UHFFFAOYSA-N 2 2 380.242 3.026 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3oc4ccccc4c3Br)C2)CC1 ZINC000594601374 567490000 /nfs/dbraw/zinc/49/00/00/567490000.db2.gz KQEBCRBYFKLWHM-OAHLLOKOSA-N 2 2 392.341 3.407 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3oc4ccccc4c3Br)C2)CC1 ZINC000594601374 567490001 /nfs/dbraw/zinc/49/00/01/567490001.db2.gz KQEBCRBYFKLWHM-OAHLLOKOSA-N 2 2 392.341 3.407 20 0 GGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Br)c1O ZINC000663343732 567497881 /nfs/dbraw/zinc/49/78/81/567497881.db2.gz CTDPIQCCEVBABC-CQSZACIVSA-N 2 2 383.330 3.375 20 0 GGADLP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1O ZINC000663343732 567497889 /nfs/dbraw/zinc/49/78/89/567497889.db2.gz CTDPIQCCEVBABC-CQSZACIVSA-N 2 2 383.330 3.375 20 0 GGADLP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000479059947 567499693 /nfs/dbraw/zinc/49/96/93/567499693.db2.gz MAVQRHIPZAGQQQ-LSBZLQRGSA-N 2 2 380.374 3.298 20 0 GGADLP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000479059947 567499696 /nfs/dbraw/zinc/49/96/96/567499696.db2.gz MAVQRHIPZAGQQQ-LSBZLQRGSA-N 2 2 380.374 3.298 20 0 GGADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Br)cc1C(F)(F)F ZINC000479058551 567499721 /nfs/dbraw/zinc/49/97/21/567499721.db2.gz KGSIABIQJIKUDA-BXUZGUMPSA-N 2 2 383.252 3.431 20 0 GGADLP Cc1nc(NC2CC[NH+](Cc3ccccn3)CC2)c(Br)c(C)[nH+]1 ZINC000663393442 567503642 /nfs/dbraw/zinc/50/36/42/567503642.db2.gz CQMNEVQDJBBWDI-UHFFFAOYSA-N 2 2 376.302 3.327 20 0 GGADLP [NH3+]Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)co1 ZINC000570681432 567504768 /nfs/dbraw/zinc/50/47/68/567504768.db2.gz VZRNNVFPOUPLCX-UHFFFAOYSA-N 2 2 382.291 3.440 20 0 GGADLP Cc1nc(N2CC[NH+](CCc3cccs3)CC2)c(Br)c(C)[nH+]1 ZINC000663416577 567506057 /nfs/dbraw/zinc/50/60/57/567506057.db2.gz ANPUKQSLDYSMPX-UHFFFAOYSA-N 2 2 381.343 3.282 20 0 GGADLP CC(C)[NH2+][C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000594740663 567506286 /nfs/dbraw/zinc/50/62/86/567506286.db2.gz PSEUTPWPYVKXQI-AWEZNQCLSA-N 2 2 386.309 3.379 20 0 GGADLP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000594740663 567506291 /nfs/dbraw/zinc/50/62/91/567506291.db2.gz PSEUTPWPYVKXQI-AWEZNQCLSA-N 2 2 386.309 3.379 20 0 GGADLP C[NH+](C)CCCC(C)(C)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000457953759 567508169 /nfs/dbraw/zinc/50/81/69/567508169.db2.gz SAZJOHROTYSSGF-UHFFFAOYSA-N 2 2 396.333 3.016 20 0 GGADLP Cc1nc(NCc2ccccc2OCC[NH+](C)C)c(Br)c(C)[nH+]1 ZINC000663474547 567510293 /nfs/dbraw/zinc/51/02/93/567510293.db2.gz KDICTZLRPZSXBT-UHFFFAOYSA-N 2 2 379.302 3.408 20 0 GGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1 ZINC000551517873 567513286 /nfs/dbraw/zinc/51/32/86/567513286.db2.gz TZPAUGVYUFEBAM-UHFFFAOYSA-N 2 2 378.460 3.071 20 0 GGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806720 567515629 /nfs/dbraw/zinc/51/56/29/567515629.db2.gz OSLXCDRKIXKGRR-RDTXWAMCSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806720 567515631 /nfs/dbraw/zinc/51/56/31/567515631.db2.gz OSLXCDRKIXKGRR-RDTXWAMCSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806720 567515634 /nfs/dbraw/zinc/51/56/34/567515634.db2.gz OSLXCDRKIXKGRR-RDTXWAMCSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806720 567515636 /nfs/dbraw/zinc/51/56/36/567515636.db2.gz OSLXCDRKIXKGRR-RDTXWAMCSA-N 2 2 377.330 3.407 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H](Nc2nc(C)[nH+]c(C)c2Br)[C@@H](C)C1 ZINC000663617885 567519133 /nfs/dbraw/zinc/51/91/33/567519133.db2.gz JDABMILPWSTQLA-SWLSCSKDSA-N 2 2 385.350 3.405 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H](Nc2nc(C)[nH+]c(C)c2Br)[C@@H](C)C1 ZINC000663617885 567519141 /nfs/dbraw/zinc/51/91/41/567519141.db2.gz JDABMILPWSTQLA-SWLSCSKDSA-N 2 2 385.350 3.405 20 0 GGADLP COC(=O)c1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(Br)c1 ZINC000551583967 567520362 /nfs/dbraw/zinc/52/03/62/567520362.db2.gz YXMBJINCYGEBHU-UHFFFAOYSA-N 2 2 383.330 3.447 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479289359 567522664 /nfs/dbraw/zinc/52/26/64/567522664.db2.gz VYEFMZYVGUOUIB-OALUTQOASA-N 2 2 375.310 3.195 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479289359 567522670 /nfs/dbraw/zinc/52/26/70/567522670.db2.gz VYEFMZYVGUOUIB-OALUTQOASA-N 2 2 375.310 3.195 20 0 GGADLP Cc1nc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Br)c(C)[nH+]1 ZINC000663725895 567525983 /nfs/dbraw/zinc/52/59/83/567525983.db2.gz FSYIWGVRPXPJQU-HUUCEWRRSA-N 2 2 383.334 3.036 20 0 GGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479354824 567527634 /nfs/dbraw/zinc/52/76/34/567527634.db2.gz BZGOXNSCEQIYCZ-NSHDSACASA-N 2 2 382.357 3.023 20 0 GGADLP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479358508 567528113 /nfs/dbraw/zinc/52/81/13/567528113.db2.gz JFGRJHZSFCVZEZ-NWDGAFQWSA-N 2 2 394.368 3.023 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCC[C@H]([S@@](C)=O)C3)c[nH+]c12 ZINC000594958998 567528574 /nfs/dbraw/zinc/52/85/74/567528574.db2.gz BURBLJBYOYKDNI-QOAZOABKSA-N 2 2 384.343 3.185 20 0 GGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@@H]2C1 ZINC000529541434 567529470 /nfs/dbraw/zinc/52/94/70/567529470.db2.gz LWBGYXCMKCPBCN-DGCLKSJQSA-N 2 2 381.343 3.427 20 0 GGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@@H]2C1 ZINC000529541434 567529474 /nfs/dbraw/zinc/52/94/74/567529474.db2.gz LWBGYXCMKCPBCN-DGCLKSJQSA-N 2 2 381.343 3.427 20 0 GGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@@H]2C1 ZINC000529541434 567529477 /nfs/dbraw/zinc/52/94/77/567529477.db2.gz LWBGYXCMKCPBCN-DGCLKSJQSA-N 2 2 381.343 3.427 20 0 GGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@@H]2C1 ZINC000529541434 567529482 /nfs/dbraw/zinc/52/94/82/567529482.db2.gz LWBGYXCMKCPBCN-DGCLKSJQSA-N 2 2 381.343 3.427 20 0 GGADLP CC(C)[N@H+](C)CCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504400120 567534272 /nfs/dbraw/zinc/53/42/72/567534272.db2.gz WMJCMOCZKZPJHR-GOSISDBHSA-N 2 2 396.373 3.433 20 0 GGADLP CC(C)[N@@H+](C)CCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504400120 567534276 /nfs/dbraw/zinc/53/42/76/567534276.db2.gz WMJCMOCZKZPJHR-GOSISDBHSA-N 2 2 396.373 3.433 20 0 GGADLP C[NH+](C)C1(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1 ZINC000438519792 567534979 /nfs/dbraw/zinc/53/49/79/567534979.db2.gz TYOOWBNSJXARGJ-KRWDZBQOSA-N 2 2 394.357 3.187 20 0 GGADLP Cc1nc(NC2CC[NH+](Cc3cccnc3)CC2)c(Br)c(C)[nH+]1 ZINC000663845476 567536907 /nfs/dbraw/zinc/53/69/07/567536907.db2.gz ZVQHUBOUPNFPDG-UHFFFAOYSA-N 2 2 376.302 3.327 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C)c1sccc1Br ZINC000551810545 567538260 /nfs/dbraw/zinc/53/82/60/567538260.db2.gz LMCLXJVBUFFARO-UHIISALHSA-N 2 2 397.342 3.114 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000571175775 567544077 /nfs/dbraw/zinc/54/40/77/567544077.db2.gz MNHWAYZAVRZCAI-TZMCWYRMSA-N 2 2 381.307 3.394 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000571175775 567544081 /nfs/dbraw/zinc/54/40/81/567544081.db2.gz MNHWAYZAVRZCAI-TZMCWYRMSA-N 2 2 381.307 3.394 20 0 GGADLP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(Br)o2)c2cccs2)CC1 ZINC000551956094 567546661 /nfs/dbraw/zinc/54/66/61/567546661.db2.gz XOQUDDAWEMUQEH-CQSZACIVSA-N 2 2 384.343 3.182 20 0 GGADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000504925421 567553077 /nfs/dbraw/zinc/55/30/77/567553077.db2.gz UUNMHTTUCVUJFR-HNNXBMFYSA-N 2 2 381.318 3.188 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000571445695 567563750 /nfs/dbraw/zinc/56/37/50/567563750.db2.gz NAAZWDPGAYZFNU-GRYCIOLGSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000571445695 567563755 /nfs/dbraw/zinc/56/37/55/567563755.db2.gz NAAZWDPGAYZFNU-GRYCIOLGSA-N 2 2 375.822 3.227 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(Br)c1 ZINC000595505024 567567560 /nfs/dbraw/zinc/56/75/60/567567560.db2.gz PLHXJUDQSVULBQ-GOSISDBHSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c(Br)c1 ZINC000595505024 567567564 /nfs/dbraw/zinc/56/75/64/567567564.db2.gz PLHXJUDQSVULBQ-GOSISDBHSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000595505024 567567570 /nfs/dbraw/zinc/56/75/70/567567570.db2.gz PLHXJUDQSVULBQ-GOSISDBHSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c(Br)c1 ZINC000595505024 567567578 /nfs/dbraw/zinc/56/75/78/567567578.db2.gz PLHXJUDQSVULBQ-GOSISDBHSA-N 2 2 381.314 3.153 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Br)cn1 ZINC000621269516 567570865 /nfs/dbraw/zinc/57/08/65/567570865.db2.gz XRNAZTYIFXJGGI-DYVFJYSZSA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Br)cn1 ZINC000621269516 567570869 /nfs/dbraw/zinc/57/08/69/567570869.db2.gz XRNAZTYIFXJGGI-DYVFJYSZSA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)cn1 ZINC000621269516 567570878 /nfs/dbraw/zinc/57/08/78/567570878.db2.gz XRNAZTYIFXJGGI-DYVFJYSZSA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)cn1 ZINC000621269516 567570884 /nfs/dbraw/zinc/57/08/84/567570884.db2.gz XRNAZTYIFXJGGI-DYVFJYSZSA-N 2 2 380.330 3.301 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](N=c3[nH]c4c(cccc4Br)s3)C2)CC1 ZINC000621266920 567570949 /nfs/dbraw/zinc/57/09/49/567570949.db2.gz GFTNVENYXXRSLP-LBPRGKRZSA-N 2 2 395.370 3.061 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](N=c3[nH]c4c(cccc4Br)s3)C2)CC1 ZINC000621266920 567570953 /nfs/dbraw/zinc/57/09/53/567570953.db2.gz GFTNVENYXXRSLP-LBPRGKRZSA-N 2 2 395.370 3.061 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Br)cn1 ZINC000621269517 567571280 /nfs/dbraw/zinc/57/12/80/567571280.db2.gz XRNAZTYIFXJGGI-GUYCJALGSA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Br)cn1 ZINC000621269517 567571286 /nfs/dbraw/zinc/57/12/86/567571286.db2.gz XRNAZTYIFXJGGI-GUYCJALGSA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)cn1 ZINC000621269517 567571290 /nfs/dbraw/zinc/57/12/90/567571290.db2.gz XRNAZTYIFXJGGI-GUYCJALGSA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)cn1 ZINC000621269517 567571295 /nfs/dbraw/zinc/57/12/95/567571295.db2.gz XRNAZTYIFXJGGI-GUYCJALGSA-N 2 2 380.330 3.301 20 0 GGADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000505370877 567573122 /nfs/dbraw/zinc/57/31/22/567573122.db2.gz RVNHUXUBQDCYSB-WMLDXEAASA-N 2 2 382.346 3.042 20 0 GGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000480030080 567577220 /nfs/dbraw/zinc/57/72/20/567577220.db2.gz ODYUDACGWHAWLU-ZDUSSCGKSA-N 2 2 392.345 3.473 20 0 GGADLP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000530238192 567585856 /nfs/dbraw/zinc/58/58/56/567585856.db2.gz LIRFENVPFPDTJA-HNNXBMFYSA-N 2 2 386.323 3.022 20 0 GGADLP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000530238193 567586259 /nfs/dbraw/zinc/58/62/59/567586259.db2.gz LIRFENVPFPDTJA-OAHLLOKOSA-N 2 2 386.323 3.022 20 0 GGADLP Clc1cc(Cl)c2nc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cn2c1 ZINC000530239871 567586363 /nfs/dbraw/zinc/58/63/63/567586363.db2.gz IMDJCKIHANPYMW-MRXNPFEDSA-N 2 2 383.323 3.232 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2c(cc1Br)OCCO2 ZINC000459378719 567620665 /nfs/dbraw/zinc/62/06/65/567620665.db2.gz WNCGPHVDDYBBIC-GFCCVEGCSA-N 2 2 381.314 3.498 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000665349490 567621388 /nfs/dbraw/zinc/62/13/88/567621388.db2.gz LKSSLIIIMKYTJE-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(Cl)cc(Cl)c1 ZINC000665349490 567621394 /nfs/dbraw/zinc/62/13/94/567621394.db2.gz LKSSLIIIMKYTJE-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2Br)[C@H](C)C1 ZINC000459414031 567621717 /nfs/dbraw/zinc/62/17/17/567621717.db2.gz OCYJSKJNLZUNTP-ZBFHGGJFSA-N 2 2 385.346 3.381 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2Br)[C@H](C)C1 ZINC000459414031 567621721 /nfs/dbraw/zinc/62/17/21/567621721.db2.gz OCYJSKJNLZUNTP-ZBFHGGJFSA-N 2 2 385.346 3.381 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnc(C4CC4)nc3)[nH+]c12 ZINC000459491033 567629642 /nfs/dbraw/zinc/62/96/42/567629642.db2.gz VYXKOOKOCPVGOT-UHFFFAOYSA-N 2 2 386.297 3.405 20 0 GGADLP CCCOc1ccc(Br)cc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000572364077 567634022 /nfs/dbraw/zinc/63/40/22/567634022.db2.gz RUIZAWQBAQWUPE-INIZCTEOSA-N 2 2 397.357 3.425 20 0 GGADLP CCCOc1ccc(Br)cc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000572364077 567634026 /nfs/dbraw/zinc/63/40/26/567634026.db2.gz RUIZAWQBAQWUPE-INIZCTEOSA-N 2 2 397.357 3.425 20 0 GGADLP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ncc(Cl)s2)CC1 ZINC000480877246 567639321 /nfs/dbraw/zinc/63/93/21/567639321.db2.gz PVHFAJFGMUHQGQ-UHFFFAOYSA-N 2 2 384.977 3.001 20 0 GGADLP CCn1cc[nH+]c1CN(C(=O)c1sccc1Cl)[C@@H]1CC12CC[NH2+]CC2 ZINC000572723516 567661882 /nfs/dbraw/zinc/66/18/82/567661882.db2.gz NDBGVIMGHHVJQP-CQSZACIVSA-N 2 2 378.929 3.402 20 0 GGADLP CCCC[N@H+](C)C[C@H](C)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000460110148 567673832 /nfs/dbraw/zinc/67/38/32/567673832.db2.gz UPCZPXCMOSFSMG-ZDUSSCGKSA-N 2 2 396.333 3.016 20 0 GGADLP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000460110148 567673837 /nfs/dbraw/zinc/67/38/37/567673837.db2.gz UPCZPXCMOSFSMG-ZDUSSCGKSA-N 2 2 396.333 3.016 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(C)c(Br)s2)nc[nH+]1 ZINC000531701946 567674751 /nfs/dbraw/zinc/67/47/51/567674751.db2.gz UUXZCMZAXFQDNC-GFCCVEGCSA-N 2 2 396.358 3.409 20 0 GGADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000531738435 567676038 /nfs/dbraw/zinc/67/60/38/567676038.db2.gz SIERKYGTXXCWBO-KXBFYZLASA-N 2 2 383.989 3.104 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000666544190 567683456 /nfs/dbraw/zinc/68/34/56/567683456.db2.gz RGCIRCUZUWPHPB-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000666544190 567683463 /nfs/dbraw/zinc/68/34/63/567683463.db2.gz RGCIRCUZUWPHPB-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000573091623 567688291 /nfs/dbraw/zinc/68/82/91/567688291.db2.gz AOBYIZDAZHEDEV-JGFGOQIWSA-N 2 2 386.323 3.149 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000531994637 567691363 /nfs/dbraw/zinc/69/13/63/567691363.db2.gz FQKRIMUQQSKOFG-ACJLOTCBSA-N 2 2 385.961 3.093 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000532155183 567700599 /nfs/dbraw/zinc/70/05/99/567700599.db2.gz NAMVUZIOXFPXIM-GOEBONIOSA-N 2 2 386.367 3.457 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000532155183 567700603 /nfs/dbraw/zinc/70/06/03/567700603.db2.gz NAMVUZIOXFPXIM-GOEBONIOSA-N 2 2 386.367 3.457 20 0 GGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000532155183 567700608 /nfs/dbraw/zinc/70/06/08/567700608.db2.gz NAMVUZIOXFPXIM-GOEBONIOSA-N 2 2 386.367 3.457 20 0 GGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000532155183 567700612 /nfs/dbraw/zinc/70/06/12/567700612.db2.gz NAMVUZIOXFPXIM-GOEBONIOSA-N 2 2 386.367 3.457 20 0 GGADLP COc1c(Br)cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Br ZINC000666768782 567702863 /nfs/dbraw/zinc/70/28/63/567702863.db2.gz MQUHTUJBHJQYIG-NSHDSACASA-N 2 2 392.135 3.452 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000532225139 567704621 /nfs/dbraw/zinc/70/46/21/567704621.db2.gz NUJQKZYBHFWUKN-UKRRQHHQSA-N 2 2 392.345 3.331 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000532225139 567704629 /nfs/dbraw/zinc/70/46/29/567704629.db2.gz NUJQKZYBHFWUKN-UKRRQHHQSA-N 2 2 392.345 3.331 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532246752 567705408 /nfs/dbraw/zinc/70/54/08/567705408.db2.gz CSDJSEAEGMHKJX-XNJGSVPQSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532246752 567705413 /nfs/dbraw/zinc/70/54/13/567705413.db2.gz CSDJSEAEGMHKJX-XNJGSVPQSA-N 2 2 380.330 3.239 20 0 GGADLP C[N@H+](Cc1nc(-c2cc(Br)cs2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754860 567705556 /nfs/dbraw/zinc/70/55/56/567705556.db2.gz IWFNEVAFLKSILB-FOSCPWQOSA-N 2 2 383.315 3.275 20 0 GGADLP C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754860 567705560 /nfs/dbraw/zinc/70/55/60/567705560.db2.gz IWFNEVAFLKSILB-FOSCPWQOSA-N 2 2 383.315 3.275 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532246751 567706268 /nfs/dbraw/zinc/70/62/68/567706268.db2.gz CSDJSEAEGMHKJX-PBFPGSCMSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532246751 567706274 /nfs/dbraw/zinc/70/62/74/567706274.db2.gz CSDJSEAEGMHKJX-PBFPGSCMSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000442763087 567706532 /nfs/dbraw/zinc/70/65/32/567706532.db2.gz CURVMISWFJPUHU-NXEZZACHSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000442763087 567706536 /nfs/dbraw/zinc/70/65/36/567706536.db2.gz CURVMISWFJPUHU-NXEZZACHSA-N 2 2 394.235 3.076 20 0 GGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ncc1Br ZINC000623453276 567711807 /nfs/dbraw/zinc/71/18/07/567711807.db2.gz HETZNENXSPGISN-ROUUACIJSA-N 2 2 382.346 3.010 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000532447109 567716926 /nfs/dbraw/zinc/71/69/26/567716926.db2.gz YXNQOPSUWHXCDO-LSDHHAIUSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000532447109 567716931 /nfs/dbraw/zinc/71/69/31/567716931.db2.gz YXNQOPSUWHXCDO-LSDHHAIUSA-N 2 2 382.346 3.488 20 0 GGADLP Brc1cnc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000666995146 567717697 /nfs/dbraw/zinc/71/76/97/567717697.db2.gz DVNIKVHXCLFWBW-NSHDSACASA-N 2 2 389.135 3.371 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)cs1 ZINC000646497086 567720767 /nfs/dbraw/zinc/72/07/67/567720767.db2.gz NCSFXVCNFVJMJY-UHFFFAOYSA-N 2 2 399.347 3.303 20 0 GGADLP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)o1 ZINC000646496871 567720880 /nfs/dbraw/zinc/72/08/80/567720880.db2.gz ITJYZODRGNKKGO-UHFFFAOYSA-N 2 2 382.291 3.440 20 0 GGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000623656735 567729736 /nfs/dbraw/zinc/72/97/36/567729736.db2.gz AOCUCPHALDOHPI-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000623656735 567729739 /nfs/dbraw/zinc/72/97/39/567729739.db2.gz AOCUCPHALDOHPI-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000532763494 567733464 /nfs/dbraw/zinc/73/34/64/567733464.db2.gz NCHKOALVMZZVHW-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3Br)[nH+]c2)CC1 ZINC000532866103 567740071 /nfs/dbraw/zinc/74/00/71/567740071.db2.gz JQXJCFWEUQRQRC-UHFFFAOYSA-N 2 2 389.341 3.409 20 0 GGADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000623838262 567741425 /nfs/dbraw/zinc/74/14/25/567741425.db2.gz MSGNUBCOQLQJPF-KRWDZBQOSA-N 2 2 375.310 3.272 20 0 GGADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000623838262 567741432 /nfs/dbraw/zinc/74/14/32/567741432.db2.gz MSGNUBCOQLQJPF-KRWDZBQOSA-N 2 2 375.310 3.272 20 0 GGADLP CC[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@H]1[NH3+] ZINC000647008533 567755363 /nfs/dbraw/zinc/75/53/63/567755363.db2.gz PZLLUKTWDIUQTN-OLMNPRSZSA-N 2 2 394.357 3.172 20 0 GGADLP Cc1c(Br)cncc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000667565291 567756826 /nfs/dbraw/zinc/75/68/26/567756826.db2.gz PXEUSBRJQJENQI-UHFFFAOYSA-N 2 2 382.346 3.087 20 0 GGADLP C[NH+](C)C1(CNc2cc[nH+]c3c(Br)ccc(F)c23)CCOCC1 ZINC000443513279 567763989 /nfs/dbraw/zinc/76/39/89/567763989.db2.gz VJHCGUJDXOPWSL-UHFFFAOYSA-N 2 2 382.277 3.081 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CC[NH+](C[C@@H]4CCOC4)CC3)c12 ZINC000443520909 567765334 /nfs/dbraw/zinc/76/53/34/567765334.db2.gz HGROIPQMZYLAFO-ZDUSSCGKSA-N 2 2 394.288 3.295 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(Br)c1 ZINC000574419616 567776967 /nfs/dbraw/zinc/77/69/67/567776967.db2.gz MYTYDSSPHDDQOQ-HNNXBMFYSA-N 2 2 395.341 3.399 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(Br)c1 ZINC000574419616 567776972 /nfs/dbraw/zinc/77/69/72/567776972.db2.gz MYTYDSSPHDDQOQ-HNNXBMFYSA-N 2 2 395.341 3.399 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(Br)c1 ZINC000574419616 567776976 /nfs/dbraw/zinc/77/69/76/567776976.db2.gz MYTYDSSPHDDQOQ-HNNXBMFYSA-N 2 2 395.341 3.399 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(Br)c1 ZINC000574419616 567776982 /nfs/dbraw/zinc/77/69/82/567776982.db2.gz MYTYDSSPHDDQOQ-HNNXBMFYSA-N 2 2 395.341 3.399 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@H]([NH+]4CCCC4)[C@@H]3C)c[nH+]c12 ZINC000574606718 567787494 /nfs/dbraw/zinc/78/74/94/567787494.db2.gz ODWBGCZFQGZUQT-YOEHRIQHSA-N 2 2 377.330 3.464 20 0 GGADLP O=C(C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Nc1cccc(Br)c1 ZINC000574629916 567788946 /nfs/dbraw/zinc/78/89/46/567788946.db2.gz CBORPZDNNLGUNY-SJLPKXTDSA-N 2 2 388.309 3.471 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000534058680 567798553 /nfs/dbraw/zinc/79/85/53/567798553.db2.gz FCEWZVHMKKQCEN-GUYCJALGSA-N 2 2 385.321 3.258 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000534058678 567798608 /nfs/dbraw/zinc/79/86/08/567798608.db2.gz FCEWZVHMKKQCEN-CXAGYDPISA-N 2 2 385.321 3.258 20 0 GGADLP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCS1 ZINC000534134607 567801090 /nfs/dbraw/zinc/80/10/90/567801090.db2.gz RCPSLRXTRNWEAO-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)CCS1 ZINC000534134607 567801094 /nfs/dbraw/zinc/80/10/94/567801094.db2.gz RCPSLRXTRNWEAO-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP C[C@H]1CSCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139957 567801358 /nfs/dbraw/zinc/80/13/58/567801358.db2.gz SMSATMOZFNKXPO-YJBOKZPZSA-N 2 2 381.973 3.030 20 0 GGADLP C[C@H]1CSCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139957 567801362 /nfs/dbraw/zinc/80/13/62/567801362.db2.gz SMSATMOZFNKXPO-YJBOKZPZSA-N 2 2 381.973 3.030 20 0 GGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000598994317 567802090 /nfs/dbraw/zinc/80/20/90/567802090.db2.gz JSUSHEOUBBOANE-GFCCVEGCSA-N 2 2 376.257 3.252 20 0 GGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000598994317 567802094 /nfs/dbraw/zinc/80/20/94/567802094.db2.gz JSUSHEOUBBOANE-GFCCVEGCSA-N 2 2 376.257 3.252 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000534579283 567814702 /nfs/dbraw/zinc/81/47/02/567814702.db2.gz JLIKKTGFWGNMEU-NSHDSACASA-N 2 2 397.704 3.264 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000534579283 567814705 /nfs/dbraw/zinc/81/47/05/567814705.db2.gz JLIKKTGFWGNMEU-NSHDSACASA-N 2 2 397.704 3.264 20 0 GGADLP CCn1cc[nH+]c1CN(C(=O)c1coc2ccccc12)[C@H]1CC12CC[NH2+]CC2 ZINC000562510632 570391656 /nfs/dbraw/zinc/39/16/56/570391656.db2.gz VHOGWHKICFKXRR-IBGZPJMESA-N 2 2 378.476 3.434 20 0 GGADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCc2ccccc21 ZINC000032776743 570798782 /nfs/dbraw/zinc/79/87/82/570798782.db2.gz QOPZNNNVLWVNRJ-NRFANRHFSA-N 2 2 378.520 3.130 20 0 GGADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCCc2ccccc21 ZINC000032776743 570798784 /nfs/dbraw/zinc/79/87/84/570798784.db2.gz QOPZNNNVLWVNRJ-NRFANRHFSA-N 2 2 378.520 3.130 20 0 GGADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCc2ccccc21 ZINC000032776742 570799113 /nfs/dbraw/zinc/79/91/13/570799113.db2.gz QOPZNNNVLWVNRJ-OAQYLSRUSA-N 2 2 378.520 3.130 20 0 GGADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCCc2ccccc21 ZINC000032776742 570799116 /nfs/dbraw/zinc/79/91/16/570799116.db2.gz QOPZNNNVLWVNRJ-OAQYLSRUSA-N 2 2 378.520 3.130 20 0 GGADLP O=C(C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)NCc1ccccc1 ZINC000012776954 571030290 /nfs/dbraw/zinc/03/02/90/571030290.db2.gz VMSFLPCQDWOFOH-UHFFFAOYSA-N 2 2 394.906 3.327 20 0 GGADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](Cc2cccs2)CC1 ZINC000737409378 599121710 /nfs/dbraw/zinc/12/17/10/599121710.db2.gz NDXNUHNQIIRXEK-UHFFFAOYSA-N 2 2 391.504 3.107 20 0 GGADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@@H](c3cccs3)[NH+](C)C)c2c1 ZINC000737249066 599255311 /nfs/dbraw/zinc/25/53/11/599255311.db2.gz RGBPSHNEZGPEGZ-INIZCTEOSA-N 2 2 393.520 3.230 20 0 GGADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NCc1cccc(C[NH+]2CCCC2)c1 ZINC000738412206 599271809 /nfs/dbraw/zinc/27/18/09/599271809.db2.gz CKCIRESEJUWJGP-UHFFFAOYSA-N 2 2 385.475 3.045 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737427829 599273746 /nfs/dbraw/zinc/27/37/46/599273746.db2.gz GJJKLROGIKKAMK-UHFFFAOYSA-N 2 2 399.502 3.436 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737427829 599273748 /nfs/dbraw/zinc/27/37/48/599273748.db2.gz GJJKLROGIKKAMK-UHFFFAOYSA-N 2 2 399.502 3.436 20 0 GGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822356153 599370216 /nfs/dbraw/zinc/37/02/16/599370216.db2.gz KVSVKFWZOQPMMW-KRWDZBQOSA-N 2 2 376.508 3.490 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822356029 599483731 /nfs/dbraw/zinc/48/37/31/599483731.db2.gz GQLSJJWQIZOEQC-UHFFFAOYSA-N 2 2 399.502 3.222 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1cccs1 ZINC000821623803 607483328 /nfs/dbraw/zinc/48/33/28/607483328.db2.gz SVYJIFVIJJUBAB-CRAIPNDOSA-N 2 2 386.500 3.240 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1cccs1 ZINC000821623803 607483329 /nfs/dbraw/zinc/48/33/29/607483329.db2.gz SVYJIFVIJJUBAB-CRAIPNDOSA-N 2 2 386.500 3.240 20 0 GGADLP O=C([O-])CCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000833772825 605222817 /nfs/dbraw/zinc/22/28/17/605222817.db2.gz BRTNAQIZEVJCDA-FRIKZZABSA-N 2 2 385.552 3.101 20 0 GGADLP O=C([O-])CCC[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000833772825 605222821 /nfs/dbraw/zinc/22/28/21/605222821.db2.gz BRTNAQIZEVJCDA-FRIKZZABSA-N 2 2 385.552 3.101 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820758750 607055896 /nfs/dbraw/zinc/05/58/96/607055896.db2.gz CNCBAYZJCQCXRF-MGPUTAFESA-N 2 2 380.471 3.006 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820758750 607055899 /nfs/dbraw/zinc/05/58/99/607055899.db2.gz CNCBAYZJCQCXRF-MGPUTAFESA-N 2 2 380.471 3.006 20 0 GGADLP CC1CC[NH+](C[C@@H]2CCCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)CC1 ZINC000824955492 608375686 /nfs/dbraw/zinc/37/56/86/608375686.db2.gz OYZKBJOXCWNGQH-KRWDZBQOSA-N 2 2 391.523 3.363 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000824891579 609251597 /nfs/dbraw/zinc/25/15/97/609251597.db2.gz AYVCXRCGQLLRQU-UWJYYQICSA-N 2 2 388.519 3.499 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000824891579 609251599 /nfs/dbraw/zinc/25/15/99/609251599.db2.gz AYVCXRCGQLLRQU-UWJYYQICSA-N 2 2 388.519 3.499 20 0 GGADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000053088737 1406286648 /nfs/dbraw/zinc/28/66/48/1406286648.db2.gz LBLVZTUOVPIRKG-GOSISDBHSA-N 2 2 384.499 3.343 20 0 GGADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000053088737 1406286667 /nfs/dbraw/zinc/28/66/67/1406286667.db2.gz LBLVZTUOVPIRKG-GOSISDBHSA-N 2 2 384.499 3.343 20 0 GGADLP C[C@H](c1ccccc1Cl)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053236008 1406339013 /nfs/dbraw/zinc/33/90/13/1406339013.db2.gz HSBHWBYKIRTALX-QGZVFWFLSA-N 2 2 386.927 3.467 20 0 GGADLP C[C@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053236008 1406339025 /nfs/dbraw/zinc/33/90/25/1406339025.db2.gz HSBHWBYKIRTALX-QGZVFWFLSA-N 2 2 386.927 3.467 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000053533916 1406431223 /nfs/dbraw/zinc/43/12/23/1406431223.db2.gz QLVOLYBKYRVGHE-GOSISDBHSA-N 2 2 388.537 3.005 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H]1c1cccc(F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053718480 1406488440 /nfs/dbraw/zinc/48/84/40/1406488440.db2.gz HXEPDOKEDXIXBG-FQEVSTJZSA-N 2 2 382.483 3.097 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H]1c1cccc(F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053718480 1406488446 /nfs/dbraw/zinc/48/84/46/1406488446.db2.gz HXEPDOKEDXIXBG-FQEVSTJZSA-N 2 2 382.483 3.097 20 0 GGADLP C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000054012690 1406589053 /nfs/dbraw/zinc/58/90/53/1406589053.db2.gz AMMLBDMWCOETJD-UHFFFAOYSA-N 2 2 375.476 3.267 20 0 GGADLP C[N@H+]1CCCN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)cc2)CC1 ZINC000054012690 1406589060 /nfs/dbraw/zinc/58/90/60/1406589060.db2.gz AMMLBDMWCOETJD-UHFFFAOYSA-N 2 2 375.476 3.267 20 0 GGADLP CC1CC[NH+]([C@@H](CNC(=O)NCCCn2cc[nH+]c2)c2cccs2)CC1 ZINC000054042344 1406601618 /nfs/dbraw/zinc/60/16/18/1406601618.db2.gz FXLDKTFIWRXSCT-KRWDZBQOSA-N 2 2 375.542 3.107 20 0 GGADLP C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054043951 1406602497 /nfs/dbraw/zinc/60/24/97/1406602497.db2.gz HBKUYJNONRAMLI-PGRDOPGGSA-N 2 2 391.519 3.405 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000054726001 1406814490 /nfs/dbraw/zinc/81/44/90/1406814490.db2.gz ZGIBPNYLIWFDGU-ROUUACIJSA-N 2 2 387.572 3.238 20 0 GGADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054805137 1406828464 /nfs/dbraw/zinc/82/84/64/1406828464.db2.gz YQBCVMIKEVBPPQ-SFHVURJKSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054805137 1406828466 /nfs/dbraw/zinc/82/84/66/1406828466.db2.gz YQBCVMIKEVBPPQ-SFHVURJKSA-N 2 2 383.540 3.241 20 0 GGADLP C(CN1CCC([NH+]2CCCCC2)CC1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000005841317 1398482570 /nfs/dbraw/zinc/48/25/70/1398482570.db2.gz OSYJPZZXFMVTKI-UHFFFAOYSA-N 3 2 376.633 3.277 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1cccs1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000007443089 1398679084 /nfs/dbraw/zinc/67/90/84/1398679084.db2.gz CPDJMMWHIHAHAD-IBGZPJMESA-N 2 2 385.533 3.356 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1cccs1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000007443089 1398679098 /nfs/dbraw/zinc/67/90/98/1398679098.db2.gz CPDJMMWHIHAHAD-IBGZPJMESA-N 2 2 385.533 3.356 20 0 GGADLP O=C(Nc1ccccc1O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000012506748 1399045668 /nfs/dbraw/zinc/04/56/68/1399045668.db2.gz RXAWVHQXMKYWMC-UHFFFAOYSA-N 2 2 376.460 3.429 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000015301704 1399151808 /nfs/dbraw/zinc/15/18/08/1399151808.db2.gz BVQSHLICIZPUBM-HXUWFJFHSA-N 2 2 399.560 3.034 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000015301704 1399151819 /nfs/dbraw/zinc/15/18/19/1399151819.db2.gz BVQSHLICIZPUBM-HXUWFJFHSA-N 2 2 399.560 3.034 20 0 GGADLP CCC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000020947381 1399358217 /nfs/dbraw/zinc/35/82/17/1399358217.db2.gz RYASBEIFVRDHCJ-UHFFFAOYSA-N 2 2 381.520 3.370 20 0 GGADLP CCC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1 ZINC000020947381 1399358222 /nfs/dbraw/zinc/35/82/22/1399358222.db2.gz RYASBEIFVRDHCJ-UHFFFAOYSA-N 2 2 381.520 3.370 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025446040 1399809104 /nfs/dbraw/zinc/80/91/04/1399809104.db2.gz SSIOZKALUXRXAZ-JOCHJYFZSA-N 2 2 381.495 3.307 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025446040 1399809107 /nfs/dbraw/zinc/80/91/07/1399809107.db2.gz SSIOZKALUXRXAZ-JOCHJYFZSA-N 2 2 381.495 3.307 20 0 GGADLP COc1ccccc1C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026190702 1399867950 /nfs/dbraw/zinc/86/79/50/1399867950.db2.gz FJPVNRHSJCIDIA-IBGZPJMESA-N 2 2 395.547 3.296 20 0 GGADLP COc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026190702 1399867953 /nfs/dbraw/zinc/86/79/53/1399867953.db2.gz FJPVNRHSJCIDIA-IBGZPJMESA-N 2 2 395.547 3.296 20 0 GGADLP COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000030006194 1400396907 /nfs/dbraw/zinc/39/69/07/1400396907.db2.gz QEPKHJWUECSJSK-HXUWFJFHSA-N 2 2 395.547 3.341 20 0 GGADLP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000030006194 1400396914 /nfs/dbraw/zinc/39/69/14/1400396914.db2.gz QEPKHJWUECSJSK-HXUWFJFHSA-N 2 2 395.547 3.341 20 0 GGADLP COc1cccc([C@@H](CNC(=O)NCCCNc2cccc[nH+]2)[NH+]2CCCC2)c1 ZINC000043306957 1403744499 /nfs/dbraw/zinc/74/44/99/1403744499.db2.gz IEUIPZSYTUUFLF-HXUWFJFHSA-N 2 2 397.523 3.029 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043547379 1403783560 /nfs/dbraw/zinc/78/35/60/1403783560.db2.gz GYUMZMXXJITMIA-HNNXBMFYSA-N 2 2 379.574 3.369 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043547379 1403783563 /nfs/dbraw/zinc/78/35/63/1403783563.db2.gz GYUMZMXXJITMIA-HNNXBMFYSA-N 2 2 379.574 3.369 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CC4)CC3)n2)C1 ZINC000043546904 1403783570 /nfs/dbraw/zinc/78/35/70/1403783570.db2.gz DGANVCCTGKUODS-CQSZACIVSA-N 2 2 377.558 3.123 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CC4)CC3)n2)C1 ZINC000043546904 1403783573 /nfs/dbraw/zinc/78/35/73/1403783573.db2.gz DGANVCCTGKUODS-CQSZACIVSA-N 2 2 377.558 3.123 20 0 GGADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000043993844 1403857539 /nfs/dbraw/zinc/85/75/39/1403857539.db2.gz IDSOLUOKEGXDQF-UHFFFAOYSA-N 2 2 397.523 3.156 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000044276814 1403910889 /nfs/dbraw/zinc/91/08/89/1403910889.db2.gz YLZVVECBRZQCHL-UHFFFAOYSA-N 2 2 396.535 3.497 20 0 GGADLP C[NH+](C)Cc1cccc(CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)c1 ZINC000045640187 1404167894 /nfs/dbraw/zinc/16/78/94/1404167894.db2.gz GTAKUUGBTHDQRF-KPKJPENVSA-N 2 2 392.547 3.289 20 0 GGADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cccc(OC)c1 ZINC000045806394 1404210569 /nfs/dbraw/zinc/21/05/69/1404210569.db2.gz CAECYZUQBLGBMV-LJQANCHMSA-N 2 2 396.535 3.212 20 0 GGADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)c1cccc(OC)c1 ZINC000045806394 1404210579 /nfs/dbraw/zinc/21/05/79/1404210579.db2.gz CAECYZUQBLGBMV-LJQANCHMSA-N 2 2 396.535 3.212 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000045974631 1404258293 /nfs/dbraw/zinc/25/82/93/1404258293.db2.gz VBLFAQJVYCGXJW-GOSISDBHSA-N 2 2 388.556 3.293 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000045974631 1404258301 /nfs/dbraw/zinc/25/83/01/1404258301.db2.gz VBLFAQJVYCGXJW-GOSISDBHSA-N 2 2 388.556 3.293 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000046019586 1404273991 /nfs/dbraw/zinc/27/39/91/1404273991.db2.gz IKRFDYQPJOUEHN-PMACEKPBSA-N 2 2 397.567 3.489 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046426329 1404409716 /nfs/dbraw/zinc/40/97/16/1404409716.db2.gz HCBMZVYERPYCGZ-KDURUIRLSA-N 2 2 383.540 3.099 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046426329 1404409721 /nfs/dbraw/zinc/40/97/21/1404409721.db2.gz HCBMZVYERPYCGZ-KDURUIRLSA-N 2 2 383.540 3.099 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046757862 1404579559 /nfs/dbraw/zinc/57/95/59/1404579559.db2.gz ZCICEVMLPABALA-WOJBJXKFSA-N 2 2 397.567 3.489 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046757856 1404579721 /nfs/dbraw/zinc/57/97/21/1404579721.db2.gz ZCICEVMLPABALA-BGYRXZFFSA-N 2 2 397.567 3.489 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046757856 1404579726 /nfs/dbraw/zinc/57/97/26/1404579726.db2.gz ZCICEVMLPABALA-BGYRXZFFSA-N 2 2 397.567 3.489 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304619 1404798010 /nfs/dbraw/zinc/79/80/10/1404798010.db2.gz YFTYTUJMDFOYQL-UHFFFAOYSA-N 2 2 378.520 3.210 20 0 GGADLP O=C(NCCNc1cccc[nH+]1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000047500911 1404853049 /nfs/dbraw/zinc/85/30/49/1404853049.db2.gz RZESYJCFQXRENH-GOSISDBHSA-N 2 2 387.915 3.283 20 0 GGADLP CC1CC[NH+]([C@@H](CNC(=O)NCCNc2cccc[nH+]2)c2cccs2)CC1 ZINC000047501263 1404853184 /nfs/dbraw/zinc/85/31/84/1404853184.db2.gz XQYSCTXCOSQEBG-KRWDZBQOSA-N 2 2 387.553 3.327 20 0 GGADLP CC1CC[NH+](Cc2ccc(CNC(=O)NCCNc3cccc[nH+]3)cc2)CC1 ZINC000047501138 1404853253 /nfs/dbraw/zinc/85/32/53/1404853253.db2.gz APMAOQXIQFDJRK-UHFFFAOYSA-N 2 2 381.524 3.225 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCCCn1cc[nH+]c1)c1ccccc1Cl ZINC000047597330 1404876277 /nfs/dbraw/zinc/87/62/77/1404876277.db2.gz GOBUDFXOTSUCEV-GOSISDBHSA-N 2 2 377.920 3.309 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000047597203 1404876513 /nfs/dbraw/zinc/87/65/13/1404876513.db2.gz YVJUJAYICNXFFD-OALUTQOASA-N 2 2 383.540 3.251 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000047597204 1404876521 /nfs/dbraw/zinc/87/65/21/1404876521.db2.gz YVJUJAYICNXFFD-RTBURBONSA-N 2 2 383.540 3.251 20 0 GGADLP Cc1ccc(-c2nc(C)c(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)s2)o1 ZINC000047676160 1404891338 /nfs/dbraw/zinc/89/13/38/1404891338.db2.gz DNXMDKRTVPRSRK-UHFFFAOYSA-N 2 2 390.553 3.118 20 0 GGADLP Cc1ccc(-c2nc(C)c(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)s2)o1 ZINC000047676160 1404891339 /nfs/dbraw/zinc/89/13/39/1404891339.db2.gz DNXMDKRTVPRSRK-UHFFFAOYSA-N 2 2 390.553 3.118 20 0 GGADLP C[NH+](C)C1(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCCC1 ZINC000047747037 1404917937 /nfs/dbraw/zinc/91/79/37/1404917937.db2.gz GSCBOSGQKKWMDA-UHFFFAOYSA-N 2 2 383.540 3.038 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccsc1 ZINC000047777839 1404940054 /nfs/dbraw/zinc/94/00/54/1404940054.db2.gz LQMFNRLOAIZFLP-QZTJIDSGSA-N 2 2 390.553 3.470 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000047832559 1404966639 /nfs/dbraw/zinc/96/66/39/1404966639.db2.gz HZGYMEQDQBOLCW-SFHVURJKSA-N 2 2 383.521 3.095 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1Cl ZINC000047927287 1405000025 /nfs/dbraw/zinc/00/00/25/1405000025.db2.gz SGNKOSOTMZLKDX-QAPCUYQASA-N 2 2 377.920 3.307 20 0 GGADLP C[NH+](C)Cc1cccc(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)c1 ZINC000048507900 1405211814 /nfs/dbraw/zinc/21/18/14/1405211814.db2.gz YSPRFNXMEHIMRA-UHFFFAOYSA-N 2 2 391.519 3.035 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000048525559 1405215426 /nfs/dbraw/zinc/21/54/26/1405215426.db2.gz DVFYPPUXKGNYLE-GOSISDBHSA-N 2 2 391.519 3.500 20 0 GGADLP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000048710526 1405264186 /nfs/dbraw/zinc/26/41/86/1405264186.db2.gz FAVQFIKNROKNHR-NRFANRHFSA-N 2 2 382.483 3.379 20 0 GGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccccc1OCC(=O)NC ZINC000048750052 1405281146 /nfs/dbraw/zinc/28/11/46/1405281146.db2.gz LRGNQXSARCXEHL-HXUWFJFHSA-N 2 2 378.476 3.238 20 0 GGADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2ccccc2Cl)c1 ZINC000048777988 1405288880 /nfs/dbraw/zinc/28/88/80/1405288880.db2.gz FUQDMLYHGPOLTP-UHFFFAOYSA-N 2 2 387.911 3.291 20 0 GGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000048783040 1405291846 /nfs/dbraw/zinc/29/18/46/1405291846.db2.gz RTLNVJQHGSDWJQ-UHFFFAOYSA-N 2 2 389.975 3.234 20 0 GGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000048783040 1405291857 /nfs/dbraw/zinc/29/18/57/1405291857.db2.gz RTLNVJQHGSDWJQ-UHFFFAOYSA-N 2 2 389.975 3.234 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000048965579 1405328653 /nfs/dbraw/zinc/32/86/53/1405328653.db2.gz NEIQTQKPHXFHRD-IBGZPJMESA-N 2 2 383.521 3.095 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000048965585 1405329183 /nfs/dbraw/zinc/32/91/83/1405329183.db2.gz GUUQIRGPFFGQNE-KDURUIRLSA-N 2 2 383.540 3.099 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000048965585 1405329195 /nfs/dbraw/zinc/32/91/95/1405329195.db2.gz GUUQIRGPFFGQNE-KDURUIRLSA-N 2 2 383.540 3.099 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000049019314 1405333507 /nfs/dbraw/zinc/33/35/07/1405333507.db2.gz GCHDQHFNQZPMOH-QRVBRYPASA-N 2 2 383.540 3.249 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000049074859 1405338818 /nfs/dbraw/zinc/33/88/18/1405338818.db2.gz JHRGFECGWQJCOZ-MAUKXSAKSA-N 2 2 375.904 3.061 20 0 GGADLP Cc1c(Cl)cccc1NC(=S)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050254774 1405532746 /nfs/dbraw/zinc/53/27/46/1405532746.db2.gz KVRWQBTUNZIKAJ-UHFFFAOYSA-N 2 2 380.989 3.493 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=S)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000050254150 1405533161 /nfs/dbraw/zinc/53/31/61/1405533161.db2.gz HGCWCXTTZCIEJJ-UHFFFAOYSA-N 2 2 398.576 3.336 20 0 GGADLP CC(C)c1ccc(OCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797485 1405654785 /nfs/dbraw/zinc/65/47/85/1405654785.db2.gz XGUWKYBZBZFMKF-UHFFFAOYSA-N 2 2 387.568 3.254 20 0 GGADLP COc1ccc(CCCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797003 1405655568 /nfs/dbraw/zinc/65/55/68/1405655568.db2.gz WZMJNKDRMYWHCY-UHFFFAOYSA-N 2 2 387.568 3.083 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)CC1 ZINC000050797254 1405656099 /nfs/dbraw/zinc/65/60/99/1405656099.db2.gz JSWCNRNFECGOLT-UHFFFAOYSA-N 2 2 394.563 3.289 20 0 GGADLP Cc1nc(C(C)(C)C)sc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797359 1405656156 /nfs/dbraw/zinc/65/61/56/1405656156.db2.gz RFQMKJFVBXOWRZ-UHFFFAOYSA-N 2 2 378.586 3.037 20 0 GGADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1-n1cccc1 ZINC000050799785 1405656742 /nfs/dbraw/zinc/65/67/42/1405656742.db2.gz URILWNRRQZDEEV-UHFFFAOYSA-N 2 2 380.536 3.074 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCC[C@H]3C(F)(F)F)CC2)CC1 ZINC000050797758 1405657011 /nfs/dbraw/zinc/65/70/11/1405657011.db2.gz GVGLFHWSPZSBOP-DLBZAZTESA-N 2 2 375.479 3.030 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3ccccc3Cl)CC2)CC1 ZINC000050799999 1405657133 /nfs/dbraw/zinc/65/71/33/1405657133.db2.gz MQVIZEVMORRNGE-MOPGFXCFSA-N 2 2 375.944 3.118 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(Cc4ccccc4)n3)CC2)CC1 ZINC000050798591 1405657308 /nfs/dbraw/zinc/65/73/08/1405657308.db2.gz TWNBLESPOQZZKC-UHFFFAOYSA-N 2 2 398.576 3.022 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCc3ccc(Cl)cc3)CC2)CC1 ZINC000050797845 1405657798 /nfs/dbraw/zinc/65/77/98/1405657798.db2.gz QTHVOYARFXSTTK-UHFFFAOYSA-N 2 2 377.960 3.338 20 0 GGADLP Cc1ccc2[nH]c(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c(Cl)c2c1 ZINC000050798531 1405658422 /nfs/dbraw/zinc/65/84/22/1405658422.db2.gz ZDVPGOKQPARJPB-UHFFFAOYSA-N 2 2 388.943 3.418 20 0 GGADLP Cc1nc(-c2ccccc2)sc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050800883 1405659109 /nfs/dbraw/zinc/65/91/09/1405659109.db2.gz ATCVQIMUEIZDBV-UHFFFAOYSA-N 2 2 398.576 3.407 20 0 GGADLP C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050803107 1405659344 /nfs/dbraw/zinc/65/93/44/1405659344.db2.gz DQENOIJBBTVRTG-OAHLLOKOSA-N 2 2 396.000 3.495 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSCc3cccc(Cl)c3)CC2)CC1 ZINC000050802975 1405659761 /nfs/dbraw/zinc/65/97/61/1405659761.db2.gz MYQMSAPDVICVSU-UHFFFAOYSA-N 2 2 396.000 3.248 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000050802244 1405660473 /nfs/dbraw/zinc/66/04/73/1405660473.db2.gz VQURPYVEWRQGTD-UHFFFAOYSA-N 2 2 398.576 3.027 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c1C ZINC000051234581 1405751768 /nfs/dbraw/zinc/75/17/68/1405751768.db2.gz TZKFFNAYCBSKPP-UHFFFAOYSA-N 2 2 397.523 3.089 20 0 GGADLP COc1cccc(C[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC000051324875 1405787130 /nfs/dbraw/zinc/78/71/30/1405787130.db2.gz FQZPCNMGFCXSFS-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1cccc(C[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)c1 ZINC000051324875 1405787143 /nfs/dbraw/zinc/78/71/43/1405787143.db2.gz FQZPCNMGFCXSFS-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1cccc(C[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1 ZINC000051324875 1405787156 /nfs/dbraw/zinc/78/71/56/1405787156.db2.gz FQZPCNMGFCXSFS-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1cccc(C[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1 ZINC000051324875 1405787168 /nfs/dbraw/zinc/78/71/68/1405787168.db2.gz FQZPCNMGFCXSFS-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)c1C ZINC000051333972 1405787284 /nfs/dbraw/zinc/78/72/84/1405787284.db2.gz ZBAFQOILAHNSKC-AWEZNQCLSA-N 2 2 388.537 3.015 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)c1C ZINC000051333972 1405787295 /nfs/dbraw/zinc/78/72/95/1405787295.db2.gz ZBAFQOILAHNSKC-AWEZNQCLSA-N 2 2 388.537 3.015 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c1C ZINC000051333863 1405787451 /nfs/dbraw/zinc/78/74/51/1405787451.db2.gz NWJSGOQHODFAJU-UHFFFAOYSA-N 2 2 382.508 3.125 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1C ZINC000051333863 1405787460 /nfs/dbraw/zinc/78/74/60/1405787460.db2.gz NWJSGOQHODFAJU-UHFFFAOYSA-N 2 2 382.508 3.125 20 0 GGADLP CC(C)[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1 ZINC000051759232 1405860558 /nfs/dbraw/zinc/86/05/58/1405860558.db2.gz QDLLUTFSOAMMFR-OAQYLSRUSA-N 2 2 390.547 3.381 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)c1C ZINC000051756294 1405860782 /nfs/dbraw/zinc/86/07/82/1405860782.db2.gz POGUTCKVRPJCDH-UHFFFAOYSA-N 2 2 388.487 3.120 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000051755826 1405860872 /nfs/dbraw/zinc/86/08/72/1405860872.db2.gz PUDAREDSBGGAMB-IYBDPMFKSA-N 2 2 376.545 3.264 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000051755826 1405860875 /nfs/dbraw/zinc/86/08/75/1405860875.db2.gz PUDAREDSBGGAMB-IYBDPMFKSA-N 2 2 376.545 3.264 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]2CCCC[C@H]12 ZINC000051765987 1405861035 /nfs/dbraw/zinc/86/10/35/1405861035.db2.gz OCKCGEZGEOVWNJ-PTUXOGIPSA-N 2 2 399.579 3.036 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)[C@H]2CCCC[C@H]12 ZINC000051765987 1405861036 /nfs/dbraw/zinc/86/10/36/1405861036.db2.gz OCKCGEZGEOVWNJ-PTUXOGIPSA-N 2 2 399.579 3.036 20 0 GGADLP C[C@H](Cc1ccccc1Cl)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759972 1405861316 /nfs/dbraw/zinc/86/13/16/1405861316.db2.gz ZGUGAJKBMCRXLX-MRXNPFEDSA-N 2 2 392.975 3.129 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3c3ccsc3)CC2)CC1 ZINC000051760713 1405861377 /nfs/dbraw/zinc/86/13/77/1405861377.db2.gz HEAFTEUAEQSWJZ-IBGZPJMESA-N 2 2 376.570 3.153 20 0 GGADLP CSc1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000051760078 1405861406 /nfs/dbraw/zinc/86/14/06/1405861406.db2.gz SBYBIHXMYAWJNG-MRXNPFEDSA-N 2 2 390.597 3.327 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCSc3ccccc3)CC2)CC1 ZINC000051759850 1405861451 /nfs/dbraw/zinc/86/14/51/1405861451.db2.gz URUXSVLIOOKKDI-UHFFFAOYSA-N 2 2 390.597 3.027 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3cccc(F)c3)C3CC3)CC2)CC1 ZINC000051777830 1405862503 /nfs/dbraw/zinc/86/25/03/1405862503.db2.gz JNEQQLLNAXNSAF-UHFFFAOYSA-N 2 2 388.531 3.058 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3CCc3ccccc3)CC2)CC1 ZINC000051777898 1405862557 /nfs/dbraw/zinc/86/25/57/1405862557.db2.gz ZFUCWWSTWHICMK-HSZRJFAPSA-N 2 2 398.595 3.352 20 0 GGADLP Cc1ccccc1[C@@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777818 1405862615 /nfs/dbraw/zinc/86/26/15/1405862615.db2.gz OYWKMSPWMFKKLU-QFIPXVFZSA-N 2 2 384.568 3.400 20 0 GGADLP C[C@H](c1ccccc1F)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777857 1405862625 /nfs/dbraw/zinc/86/26/25/1405862625.db2.gz RISUSVJYVAKEKH-MRXNPFEDSA-N 2 2 376.520 3.087 20 0 GGADLP C[C@@H](c1ccccc1F)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777856 1405862771 /nfs/dbraw/zinc/86/27/71/1405862771.db2.gz RISUSVJYVAKEKH-INIZCTEOSA-N 2 2 376.520 3.087 20 0 GGADLP CC1CCC([N@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C2CC2)CC1 ZINC000052104030 1405936852 /nfs/dbraw/zinc/93/68/52/1405936852.db2.gz WIKZONWDVSVHFT-UHFFFAOYSA-N 2 2 399.579 3.178 20 0 GGADLP CC1CCC([N@@H+](CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C2CC2)CC1 ZINC000052104030 1405936877 /nfs/dbraw/zinc/93/68/77/1405936877.db2.gz WIKZONWDVSVHFT-UHFFFAOYSA-N 2 2 399.579 3.178 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](Cc3ccccn3)C(C)C)CC2)cc1 ZINC000052218561 1405990804 /nfs/dbraw/zinc/99/08/04/1405990804.db2.gz YMRJSOYHDZZWBN-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](Cc3ccccn3)C(C)C)CC2)cc1 ZINC000052218561 1405990815 /nfs/dbraw/zinc/99/08/15/1405990815.db2.gz YMRJSOYHDZZWBN-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](Cc3ccccn3)C(C)C)CC2)cc1 ZINC000052218561 1405990827 /nfs/dbraw/zinc/99/08/27/1405990827.db2.gz YMRJSOYHDZZWBN-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](Cc3ccccn3)C(C)C)CC2)cc1 ZINC000052218561 1405990842 /nfs/dbraw/zinc/99/08/42/1405990842.db2.gz YMRJSOYHDZZWBN-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP Cc1[nH+]ccn1CCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000052290498 1406009209 /nfs/dbraw/zinc/00/92/09/1406009209.db2.gz KSAWSQKQYVLZSE-QGZVFWFLSA-N 2 2 393.894 3.120 20 0 GGADLP C[C@@H]1CCC[C@@](CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)([NH+](C)C)C1 ZINC000052522463 1406072209 /nfs/dbraw/zinc/07/22/09/1406072209.db2.gz IFXQXAUWMHWRPJ-AUSIDOKSSA-N 2 2 397.567 3.284 20 0 GGADLP C[C@H]1CCC[C@](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)([NH+](C)C)C1 ZINC000052524122 1406073838 /nfs/dbraw/zinc/07/38/38/1406073838.db2.gz MYHOISNRRWNUON-AVRDEDQJSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@@H]1CCC[C@@](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)([NH+](C)C)C1 ZINC000052527916 1406074515 /nfs/dbraw/zinc/07/45/15/1406074515.db2.gz BJCARZMKFPBQLG-XMSQKQJNSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@H]1CCC[C@@](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)([NH+](C)C)C1 ZINC000052527920 1406074831 /nfs/dbraw/zinc/07/48/31/1406074831.db2.gz BJCARZMKFPBQLG-PGRDOPGGSA-N 2 2 383.540 3.241 20 0 GGADLP CC1CC[NH+]([C@H](CNC(=O)NCCCCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000052560189 1406083140 /nfs/dbraw/zinc/08/31/40/1406083140.db2.gz RBBBSMPIJYYFPV-OAQYLSRUSA-N 2 2 383.540 3.436 20 0 GGADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1csc2ccccc12 ZINC000052806193 1406179741 /nfs/dbraw/zinc/17/97/41/1406179741.db2.gz PCXWBCKBIRVZGR-UHFFFAOYSA-N 2 2 394.544 3.467 20 0 GGADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1csc2ccccc12 ZINC000052806193 1406179753 /nfs/dbraw/zinc/17/97/53/1406179753.db2.gz PCXWBCKBIRVZGR-UHFFFAOYSA-N 2 2 394.544 3.467 20 0 GGADLP CC(C)[N@H+](C)CC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000056848493 1407455011 /nfs/dbraw/zinc/45/50/11/1407455011.db2.gz MBLHWMXOCVIHKF-UHFFFAOYSA-N 2 2 383.540 3.193 20 0 GGADLP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000056848493 1407455015 /nfs/dbraw/zinc/45/50/15/1407455015.db2.gz MBLHWMXOCVIHKF-UHFFFAOYSA-N 2 2 383.540 3.193 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccc(F)cc1 ZINC000056895992 1407469550 /nfs/dbraw/zinc/46/95/50/1407469550.db2.gz AYIMMASQIIAEED-HXUWFJFHSA-N 2 2 381.455 3.114 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000056936978 1407478351 /nfs/dbraw/zinc/47/83/51/1407478351.db2.gz GVHQVFJYMJEHFR-OAQYLSRUSA-N 2 2 395.482 3.173 20 0 GGADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000056946691 1407479725 /nfs/dbraw/zinc/47/97/25/1407479725.db2.gz WVLNTBXLBILDOE-VAMGGRTRSA-N 2 2 397.567 3.140 20 0 GGADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056947077 1407480314 /nfs/dbraw/zinc/48/03/14/1407480314.db2.gz BDCIRPNXKUCYLT-CEXWTWQISA-N 2 2 383.540 3.097 20 0 GGADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000056947077 1407480321 /nfs/dbraw/zinc/48/03/21/1407480321.db2.gz BDCIRPNXKUCYLT-CEXWTWQISA-N 2 2 383.540 3.097 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057153589 1407537105 /nfs/dbraw/zinc/53/71/05/1407537105.db2.gz PKSFQCTZESLXSE-OAQYLSRUSA-N 2 2 378.520 3.210 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057153589 1407537110 /nfs/dbraw/zinc/53/71/10/1407537110.db2.gz PKSFQCTZESLXSE-OAQYLSRUSA-N 2 2 378.520 3.210 20 0 GGADLP O=C(NCCCCn1cc[nH+]c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000057378090 1407600238 /nfs/dbraw/zinc/60/02/38/1407600238.db2.gz CSZBJYZCCZOQEG-UHFFFAOYSA-N 2 2 391.519 3.344 20 0 GGADLP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000057376524 1407600522 /nfs/dbraw/zinc/60/05/22/1407600522.db2.gz IRLYSIXZRFBCAL-UHFFFAOYSA-N 2 2 383.540 3.395 20 0 GGADLP COc1ccc([C@H](CNC(=O)NCCCCn2cc[nH+]c2)[NH+]2CCCCC2)cc1 ZINC000057378860 1407601231 /nfs/dbraw/zinc/60/12/31/1407601231.db2.gz HFWNJNORVLQJAO-NRFANRHFSA-N 2 2 399.539 3.198 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1C ZINC000057612523 1407665322 /nfs/dbraw/zinc/66/53/22/1407665322.db2.gz RDXLUOHGNMBBGB-KRWDZBQOSA-N 2 2 376.526 3.213 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[NH+]2CCC(C)CC2)c1C ZINC000057613155 1407666235 /nfs/dbraw/zinc/66/62/35/1407666235.db2.gz VNUPQXITSHSGIW-UHFFFAOYSA-N 2 2 376.545 3.361 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000057613227 1407666723 /nfs/dbraw/zinc/66/67/23/1407666723.db2.gz VTXIEHPFZXXKDO-MRXNPFEDSA-N 2 2 376.545 3.361 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1C ZINC000057613227 1407666732 /nfs/dbraw/zinc/66/67/32/1407666732.db2.gz VTXIEHPFZXXKDO-MRXNPFEDSA-N 2 2 376.545 3.361 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000057618686 1407668703 /nfs/dbraw/zinc/66/87/03/1407668703.db2.gz XECGGXXPBCSLKI-UXLLHSPISA-N 2 2 376.545 3.215 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000057618686 1407668714 /nfs/dbraw/zinc/66/87/14/1407668714.db2.gz XECGGXXPBCSLKI-UXLLHSPISA-N 2 2 376.545 3.215 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1C ZINC000057618247 1407668928 /nfs/dbraw/zinc/66/89/28/1407668928.db2.gz SSAILYMILMHWIB-OAHLLOKOSA-N 2 2 376.545 3.359 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1C ZINC000057618247 1407668943 /nfs/dbraw/zinc/66/89/43/1407668943.db2.gz SSAILYMILMHWIB-OAHLLOKOSA-N 2 2 376.545 3.359 20 0 GGADLP C[C@@H]1CCC[C@@](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)([NH+](C)C)C1 ZINC000057819073 1407728270 /nfs/dbraw/zinc/72/82/70/1407728270.db2.gz PPACYBMGRQHWOX-XMSQKQJNSA-N 2 2 387.572 3.382 20 0 GGADLP C[C@H]1CCC[C@](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)([NH+](C)C)C1 ZINC000057819080 1407729082 /nfs/dbraw/zinc/72/90/82/1407729082.db2.gz PPACYBMGRQHWOX-AVRDEDQJSA-N 2 2 387.572 3.382 20 0 GGADLP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058783559 1407880427 /nfs/dbraw/zinc/88/04/27/1407880427.db2.gz SKZSGDQODABIPM-OAQYLSRUSA-N 2 2 383.561 3.155 20 0 GGADLP CC1CC[NH+](CCCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000058783519 1407880669 /nfs/dbraw/zinc/88/06/69/1407880669.db2.gz XVBKENQKSCUTSD-FQEVSTJZSA-N 2 2 375.582 3.015 20 0 GGADLP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000058881161 1407893513 /nfs/dbraw/zinc/89/35/13/1407893513.db2.gz HYESPSCNJDHASY-IBGZPJMESA-N 2 2 375.582 3.109 20 0 GGADLP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000058881161 1407893516 /nfs/dbraw/zinc/89/35/16/1407893516.db2.gz HYESPSCNJDHASY-IBGZPJMESA-N 2 2 375.582 3.109 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000060613420 1408012106 /nfs/dbraw/zinc/01/21/06/1408012106.db2.gz FBCOFZJTGOCBQQ-UHFFFAOYSA-N 2 2 389.503 3.244 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccccc1 ZINC000060954525 1408056362 /nfs/dbraw/zinc/05/63/62/1408056362.db2.gz UHBROPLINIPKGW-NRFANRHFSA-N 2 2 377.492 3.034 20 0 GGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(OC)c3OC)cc2)CC1 ZINC000061070124 1408074077 /nfs/dbraw/zinc/07/40/77/1408074077.db2.gz VDSYGXRXHZPBGU-UHFFFAOYSA-N 2 2 383.536 3.131 20 0 GGADLP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[C@H]1c1ccccc1 ZINC000176383031 1428288356 /nfs/dbraw/zinc/28/83/56/1428288356.db2.gz PKCDSXLQELQXGD-AUSIDOKSSA-N 2 2 398.595 3.380 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791876 1408177305 /nfs/dbraw/zinc/17/73/05/1408177305.db2.gz ANEULNXOJJHBAF-UHFFFAOYSA-N 2 2 399.564 3.297 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000061861817 1408183691 /nfs/dbraw/zinc/18/36/91/1408183691.db2.gz CRXVDDNVHJCBLY-UHFFFAOYSA-N 2 2 391.519 3.383 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC000061861817 1408183704 /nfs/dbraw/zinc/18/37/04/1408183704.db2.gz CRXVDDNVHJCBLY-UHFFFAOYSA-N 2 2 391.519 3.383 20 0 GGADLP CCOc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2)cc(Br)c1OC ZINC000062254835 1408225257 /nfs/dbraw/zinc/22/52/57/1408225257.db2.gz IOHZFXYABDWNAQ-CYBMUJFWSA-N 2 2 382.302 3.479 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000176398697 1428301534 /nfs/dbraw/zinc/30/15/34/1428301534.db2.gz HORPKNCSZRITHW-OAQYLSRUSA-N 2 2 395.551 3.269 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCCNc1cccc[nH+]1 ZINC000062487077 1408268137 /nfs/dbraw/zinc/26/81/37/1408268137.db2.gz NJTJICOAWHVZTF-UHFFFAOYSA-N 2 2 389.931 3.310 20 0 GGADLP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000062504923 1408271325 /nfs/dbraw/zinc/27/13/25/1408271325.db2.gz TUDDUKVQODBRLN-PBHICJAKSA-N 2 2 384.927 3.255 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC3([NH+](C)C)CCCC3)c2C1 ZINC000063836529 1408424207 /nfs/dbraw/zinc/42/42/07/1408424207.db2.gz QLQLGYAKOKKIFL-UHFFFAOYSA-N 2 2 380.536 3.217 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC3([NH+](C)C)CCCC3)c2C1 ZINC000063836529 1408424212 /nfs/dbraw/zinc/42/42/12/1408424212.db2.gz QLQLGYAKOKKIFL-UHFFFAOYSA-N 2 2 380.536 3.217 20 0 GGADLP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176454076 1428325171 /nfs/dbraw/zinc/32/51/71/1428325171.db2.gz ZSXYGZOSKKZISF-SFHVURJKSA-N 2 2 375.561 3.060 20 0 GGADLP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000176454076 1428325178 /nfs/dbraw/zinc/32/51/78/1428325178.db2.gz ZSXYGZOSKKZISF-SFHVURJKSA-N 2 2 375.561 3.060 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064757953 1408609247 /nfs/dbraw/zinc/60/92/47/1408609247.db2.gz JQRVQFMOHIFHJW-HNNXBMFYSA-N 2 2 397.445 3.064 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)c1C ZINC000064997427 1408634950 /nfs/dbraw/zinc/63/49/50/1408634950.db2.gz IMMCRBFSUIBINU-UHFFFAOYSA-N 2 2 396.535 3.167 20 0 GGADLP CC(C)(C)c1ncc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000065013959 1408636377 /nfs/dbraw/zinc/63/63/77/1408636377.db2.gz VRUSLHUJKNWAOE-UHFFFAOYSA-N 2 2 389.565 3.441 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)c1C ZINC000065388448 1408664806 /nfs/dbraw/zinc/66/48/06/1408664806.db2.gz IIKVVGTUQZBYMW-LJQANCHMSA-N 2 2 376.545 3.263 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000065466583 1408673128 /nfs/dbraw/zinc/67/31/28/1408673128.db2.gz TVAFIJLVKSEOGG-QFIPXVFZSA-N 2 2 391.519 3.342 20 0 GGADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000065909799 1408752526 /nfs/dbraw/zinc/75/25/26/1408752526.db2.gz KXSOTQPVSGWZPR-UHFFFAOYSA-N 2 2 391.475 3.074 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1cccc(Br)c1 ZINC000066007450 1408773003 /nfs/dbraw/zinc/77/30/03/1408773003.db2.gz GHHHDXIRCMZBFF-UHFFFAOYSA-N 2 2 399.402 3.104 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1cccc(Br)c1 ZINC000066007450 1408773007 /nfs/dbraw/zinc/77/30/07/1408773007.db2.gz GHHHDXIRCMZBFF-UHFFFAOYSA-N 2 2 399.402 3.104 20 0 GGADLP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000066047918 1408778641 /nfs/dbraw/zinc/77/86/41/1408778641.db2.gz XTRGLKKJIVXLIB-OAQYLSRUSA-N 2 2 387.474 3.348 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CCN(c3cc(C)c4ccccc4[nH+]3)CC2)CC1 ZINC000066468224 1408843592 /nfs/dbraw/zinc/84/35/92/1408843592.db2.gz BFJLMNPZSTYXKY-UHFFFAOYSA-N 2 2 380.536 3.314 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000066482450 1408845345 /nfs/dbraw/zinc/84/53/45/1408845345.db2.gz MLHHKVGVPBHELH-LJQANCHMSA-N 2 2 394.437 3.137 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000066482450 1408845348 /nfs/dbraw/zinc/84/53/48/1408845348.db2.gz MLHHKVGVPBHELH-LJQANCHMSA-N 2 2 394.437 3.137 20 0 GGADLP Cc1ncsc1C[N@@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000066562678 1408858219 /nfs/dbraw/zinc/85/82/19/1408858219.db2.gz SLSJLVJUFSILKC-KRWDZBQOSA-N 2 2 386.565 3.053 20 0 GGADLP Cc1ncsc1C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000066562678 1408858222 /nfs/dbraw/zinc/85/82/22/1408858222.db2.gz SLSJLVJUFSILKC-KRWDZBQOSA-N 2 2 386.565 3.053 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000066568283 1408858618 /nfs/dbraw/zinc/85/86/18/1408858618.db2.gz NEHVLUNANKBFGU-UHFFFAOYSA-N 2 2 397.485 3.472 20 0 GGADLP CCCCc1nc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)cs1 ZINC000066568292 1408858679 /nfs/dbraw/zinc/85/86/79/1408858679.db2.gz RLQCCSXJDDYZAQ-UHFFFAOYSA-N 2 2 392.613 3.252 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000066568068 1408858840 /nfs/dbraw/zinc/85/88/40/1408858840.db2.gz WWPPQMCKDBLETH-MRXNPFEDSA-N 2 2 379.495 3.292 20 0 GGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000066596412 1408862934 /nfs/dbraw/zinc/86/29/34/1408862934.db2.gz SBIPUPPKYHHMBM-OAQYLSRUSA-N 2 2 383.540 3.385 20 0 GGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000066596412 1408862935 /nfs/dbraw/zinc/86/29/35/1408862935.db2.gz SBIPUPPKYHHMBM-OAQYLSRUSA-N 2 2 383.540 3.385 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000066877121 1408939539 /nfs/dbraw/zinc/93/95/39/1408939539.db2.gz TZRJAEFFDYSVLM-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000066976074 1408969629 /nfs/dbraw/zinc/96/96/29/1408969629.db2.gz WGSVYZWCTITXJY-UHFFFAOYSA-N 2 2 399.366 3.351 20 0 GGADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985973 1408972832 /nfs/dbraw/zinc/97/28/32/1408972832.db2.gz WXHNOWGLADGLCJ-UHFFFAOYSA-N 2 2 395.482 3.285 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000066986629 1408973541 /nfs/dbraw/zinc/97/35/41/1408973541.db2.gz WUGROZRSWQLVMI-OALUTQOASA-N 2 2 383.540 3.430 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000067064437 1408997720 /nfs/dbraw/zinc/99/77/20/1408997720.db2.gz RZGVQDXNZZNWMP-UHFFFAOYSA-N 2 2 383.540 3.217 20 0 GGADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCCCCn2cc[nH+]c2)CC1 ZINC000067064437 1408997722 /nfs/dbraw/zinc/99/77/22/1408997722.db2.gz RZGVQDXNZZNWMP-UHFFFAOYSA-N 2 2 383.540 3.217 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000067122206 1409013056 /nfs/dbraw/zinc/01/30/56/1409013056.db2.gz BNACZYYUKCUGRG-JOCHJYFZSA-N 2 2 396.579 3.408 20 0 GGADLP CC(C)[C@@H](SCc1ccccc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000067191424 1409037233 /nfs/dbraw/zinc/03/72/33/1409037233.db2.gz UZQAYEKAAOLGJQ-OAQYLSRUSA-N 2 2 391.625 3.429 20 0 GGADLP CC(C)[C@@H](SCc1ccccc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000067191424 1409037238 /nfs/dbraw/zinc/03/72/38/1409037238.db2.gz UZQAYEKAAOLGJQ-OAQYLSRUSA-N 2 2 391.625 3.429 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000067191087 1409037267 /nfs/dbraw/zinc/03/72/67/1409037267.db2.gz HYRQUZQDHMUDOG-UHFFFAOYSA-N 2 2 397.485 3.221 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC000067191087 1409037274 /nfs/dbraw/zinc/03/72/74/1409037274.db2.gz HYRQUZQDHMUDOG-UHFFFAOYSA-N 2 2 397.485 3.221 20 0 GGADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067457476 1409124121 /nfs/dbraw/zinc/12/41/21/1409124121.db2.gz PVDCSSXEIRTDKF-HXUWFJFHSA-N 2 2 387.572 3.106 20 0 GGADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067457476 1409124130 /nfs/dbraw/zinc/12/41/30/1409124130.db2.gz PVDCSSXEIRTDKF-HXUWFJFHSA-N 2 2 387.572 3.106 20 0 GGADLP Cc1ccc(N2CCC(NC(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000176617596 1428381352 /nfs/dbraw/zinc/38/13/52/1428381352.db2.gz XPJDJUPJWHXSGA-LJQANCHMSA-N 2 2 395.551 3.179 20 0 GGADLP Cc1ccc(N2CCC(NC(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000176617596 1428381359 /nfs/dbraw/zinc/38/13/59/1428381359.db2.gz XPJDJUPJWHXSGA-LJQANCHMSA-N 2 2 395.551 3.179 20 0 GGADLP C[NH+](C)Cc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000067645906 1409195144 /nfs/dbraw/zinc/19/51/44/1409195144.db2.gz LQPHDCRZJVIWNV-UHFFFAOYSA-N 2 2 381.455 3.072 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1F ZINC000067646296 1409196278 /nfs/dbraw/zinc/19/62/78/1409196278.db2.gz HEGFJMMKDZWQJT-SFHVURJKSA-N 2 2 385.443 3.015 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1F ZINC000067646297 1409196569 /nfs/dbraw/zinc/19/65/69/1409196569.db2.gz HEGFJMMKDZWQJT-GOSISDBHSA-N 2 2 385.443 3.015 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)[NH+](C)C)cc1 ZINC000067705099 1409210491 /nfs/dbraw/zinc/21/04/91/1409210491.db2.gz CTZRDCBWOHFICD-JOCHJYFZSA-N 2 2 391.519 3.342 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000067709349 1409212288 /nfs/dbraw/zinc/21/22/88/1409212288.db2.gz SFELHTJTCRTQII-SFHVURJKSA-N 2 2 390.553 3.251 20 0 GGADLP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCCCNc3cccc[nH+]3)cc2)CC1 ZINC000068420776 1409397191 /nfs/dbraw/zinc/39/71/91/1409397191.db2.gz HZEBUTJMEQXTNI-UHFFFAOYSA-N 2 2 395.551 3.234 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068435779 1409401930 /nfs/dbraw/zinc/40/19/30/1409401930.db2.gz ISZAOPZMBYDENT-QFIPXVFZSA-N 2 2 393.531 3.370 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068435779 1409401932 /nfs/dbraw/zinc/40/19/32/1409401932.db2.gz ISZAOPZMBYDENT-QFIPXVFZSA-N 2 2 393.531 3.370 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCCCCn1cc[nH+]c1 ZINC000068587240 1409446241 /nfs/dbraw/zinc/44/62/41/1409446241.db2.gz GVJOYHBHKACXBA-UHFFFAOYSA-N 2 2 377.920 3.090 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000068639923 1409453540 /nfs/dbraw/zinc/45/35/40/1409453540.db2.gz FHLYSOPZLBKVHH-QFIPXVFZSA-N 2 2 378.520 3.139 20 0 GGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000069017097 1409544120 /nfs/dbraw/zinc/54/41/20/1409544120.db2.gz JPKWZBUOFQNRPT-PMACEKPBSA-N 2 2 382.552 3.253 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000069078425 1409559154 /nfs/dbraw/zinc/55/91/54/1409559154.db2.gz SMGTZRRBQMYDGJ-FQEVSTJZSA-N 2 2 397.567 3.306 20 0 GGADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000069205025 1409586650 /nfs/dbraw/zinc/58/66/50/1409586650.db2.gz AMZSLYVECYHUPI-UHFFFAOYSA-N 2 2 397.567 3.316 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1SC ZINC000069221668 1409589420 /nfs/dbraw/zinc/58/94/20/1409589420.db2.gz PLPHUFAUPXVIIR-ROUUACIJSA-N 2 2 377.598 3.408 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1SC ZINC000069221670 1409590009 /nfs/dbraw/zinc/59/00/09/1409590009.db2.gz PLPHUFAUPXVIIR-QZTJIDSGSA-N 2 2 377.598 3.408 20 0 GGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000069747641 1409691239 /nfs/dbraw/zinc/69/12/39/1409691239.db2.gz QSJFMCZVUBLQQB-UHFFFAOYSA-N 2 2 376.504 3.303 20 0 GGADLP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)o1 ZINC000069783402 1409698376 /nfs/dbraw/zinc/69/83/76/1409698376.db2.gz LNXGCSUCAYPSRA-DYESRHJHSA-N 2 2 397.519 3.354 20 0 GGADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2cc3ccccc3o2)c1 ZINC000069783396 1409698742 /nfs/dbraw/zinc/69/87/42/1409698742.db2.gz QCEHYHZRBQMRQS-UHFFFAOYSA-N 2 2 393.487 3.383 20 0 GGADLP C[NH+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000070019471 1409739289 /nfs/dbraw/zinc/73/92/89/1409739289.db2.gz HBOLGAMVMHGHOW-OAQYLSRUSA-N 2 2 383.561 3.155 20 0 GGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000070026961 1409741796 /nfs/dbraw/zinc/74/17/96/1409741796.db2.gz GSIYWXPXNLIXAM-TZIWHRDSSA-N 2 2 389.609 3.405 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000070026961 1409741799 /nfs/dbraw/zinc/74/17/99/1409741799.db2.gz GSIYWXPXNLIXAM-TZIWHRDSSA-N 2 2 389.609 3.405 20 0 GGADLP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2)C[C@H](C)O1 ZINC000071028413 1409814159 /nfs/dbraw/zinc/81/41/59/1409814159.db2.gz JCWODPKTKPSLGG-IRXDYDNUSA-N 2 2 391.475 3.129 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718244 1409852721 /nfs/dbraw/zinc/85/27/21/1409852721.db2.gz OPRJRUWOIPTMBL-RTBURBONSA-N 2 2 382.552 3.023 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718244 1409852726 /nfs/dbraw/zinc/85/27/26/1409852726.db2.gz OPRJRUWOIPTMBL-RTBURBONSA-N 2 2 382.552 3.023 20 0 GGADLP C[C@H](C(=O)NCCc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868867 1409854459 /nfs/dbraw/zinc/85/44/59/1409854459.db2.gz QJYOEEWPNCHNBQ-OFNKIYASSA-N 2 2 379.548 3.188 20 0 GGADLP C[C@H](C(=O)NCCc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868867 1409854462 /nfs/dbraw/zinc/85/44/62/1409854462.db2.gz QJYOEEWPNCHNBQ-OFNKIYASSA-N 2 2 379.548 3.188 20 0 GGADLP C[C@H](C(=O)NCCc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868867 1409854466 /nfs/dbraw/zinc/85/44/66/1409854466.db2.gz QJYOEEWPNCHNBQ-OFNKIYASSA-N 2 2 379.548 3.188 20 0 GGADLP C[C@H](C(=O)NCCc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868867 1409854468 /nfs/dbraw/zinc/85/44/68/1409854468.db2.gz QJYOEEWPNCHNBQ-OFNKIYASSA-N 2 2 379.548 3.188 20 0 GGADLP CC[N@@H+](CC(=O)NCc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108861 1409885402 /nfs/dbraw/zinc/88/54/02/1409885402.db2.gz DVHRBXXBZPUNPD-UHFFFAOYSA-N 2 2 380.536 3.245 20 0 GGADLP CC[N@H+](CC(=O)NCc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108861 1409885404 /nfs/dbraw/zinc/88/54/04/1409885404.db2.gz DVHRBXXBZPUNPD-UHFFFAOYSA-N 2 2 380.536 3.245 20 0 GGADLP CCCOc1c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cccc1OCC ZINC000076762068 1409891416 /nfs/dbraw/zinc/89/14/16/1409891416.db2.gz IJABZBMELZFWCZ-SFHVURJKSA-N 2 2 376.541 3.465 20 0 GGADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)c2cc(C)n(C3CC3)c2C)CC1 ZINC000080746956 1410012177 /nfs/dbraw/zinc/01/21/77/1410012177.db2.gz ROVRHUUYPOZZRP-UHFFFAOYSA-N 2 2 375.557 3.445 20 0 GGADLP C[N@H+](C[C@@H](O)c1c(F)cccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080989898 1410013765 /nfs/dbraw/zinc/01/37/65/1410013765.db2.gz RCNGFKSATYYCTK-HXUWFJFHSA-N 2 2 375.463 3.032 20 0 GGADLP C[N@@H+](C[C@@H](O)c1c(F)cccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080989898 1410013776 /nfs/dbraw/zinc/01/37/76/1410013776.db2.gz RCNGFKSATYYCTK-HXUWFJFHSA-N 2 2 375.463 3.032 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000090004479 1410060330 /nfs/dbraw/zinc/06/03/30/1410060330.db2.gz AMGOYMPMRSFADI-FQEVSTJZSA-N 2 2 382.552 3.157 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000090004479 1410060335 /nfs/dbraw/zinc/06/03/35/1410060335.db2.gz AMGOYMPMRSFADI-FQEVSTJZSA-N 2 2 382.552 3.157 20 0 GGADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090114843 1410061298 /nfs/dbraw/zinc/06/12/98/1410061298.db2.gz WMSSVFSIVRAMID-WWNPGLIZSA-N 2 2 377.532 3.477 20 0 GGADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090114843 1410061305 /nfs/dbraw/zinc/06/13/05/1410061305.db2.gz WMSSVFSIVRAMID-WWNPGLIZSA-N 2 2 377.532 3.477 20 0 GGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000090168934 1410062785 /nfs/dbraw/zinc/06/27/85/1410062785.db2.gz UMLOGAHOWUOFAC-JOCHJYFZSA-N 2 2 375.520 3.469 20 0 GGADLP CC1(C)C[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000090168934 1410062792 /nfs/dbraw/zinc/06/27/92/1410062792.db2.gz UMLOGAHOWUOFAC-JOCHJYFZSA-N 2 2 375.520 3.469 20 0 GGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000090168933 1410062839 /nfs/dbraw/zinc/06/28/39/1410062839.db2.gz UMLOGAHOWUOFAC-QFIPXVFZSA-N 2 2 375.520 3.469 20 0 GGADLP CC1(C)C[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[N@H+]1Cc1ccccc1 ZINC000090168933 1410062845 /nfs/dbraw/zinc/06/28/45/1410062845.db2.gz UMLOGAHOWUOFAC-QFIPXVFZSA-N 2 2 375.520 3.469 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090913994 1410068023 /nfs/dbraw/zinc/06/80/23/1410068023.db2.gz SPTJPUFGAFFJON-NMNUPHIUSA-N 2 2 376.504 3.158 20 0 GGADLP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccn(-c3ccccc3)n2)CC1 ZINC000091061961 1410068749 /nfs/dbraw/zinc/06/87/49/1410068749.db2.gz POTMQYIZUMQPOR-UHFFFAOYSA-N 2 2 376.504 3.119 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1nc2ccccc2n1C ZINC000091288710 1410072341 /nfs/dbraw/zinc/07/23/41/1410072341.db2.gz HNWIHINFYBQYQH-SFHVURJKSA-N 2 2 377.536 3.172 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1nc2ccccc2n1C ZINC000091288710 1410072350 /nfs/dbraw/zinc/07/23/50/1410072350.db2.gz HNWIHINFYBQYQH-SFHVURJKSA-N 2 2 377.536 3.172 20 0 GGADLP Cc1cc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)[nH+]c2ccccc12 ZINC000091456211 1410074024 /nfs/dbraw/zinc/07/40/24/1410074024.db2.gz ZWQCSUBXDIIZQZ-UHFFFAOYSA-N 2 2 382.552 3.464 20 0 GGADLP C[NH+]1CCC[C@@H](CNc2nc(NC[C@@H]3CCC[N@@H+](C)C3)[nH+]c3ccccc32)C1 ZINC000091482888 1410074367 /nfs/dbraw/zinc/07/43/67/1410074367.db2.gz ZJPSHKASOFWFHJ-ROUUACIJSA-N 3 2 382.556 3.137 20 0 GGADLP C[NH+]1CCC[C@@H](CNc2nc(NC[C@@H]3CCC[N@H+](C)C3)[nH+]c3ccccc32)C1 ZINC000091482888 1410074371 /nfs/dbraw/zinc/07/43/71/1410074371.db2.gz ZJPSHKASOFWFHJ-ROUUACIJSA-N 3 2 382.556 3.137 20 0 GGADLP C[NH+]1CCC[C@@H](CNc2nc(NC[C@@H]3CCC[N@H+](C)C3)c3ccccc3[nH+]2)C1 ZINC000091482888 1410074376 /nfs/dbraw/zinc/07/43/76/1410074376.db2.gz ZJPSHKASOFWFHJ-ROUUACIJSA-N 3 2 382.556 3.137 20 0 GGADLP C[NH+]1CCC[C@@H](CNc2nc(NC[C@@H]3CCC[N@@H+](C)C3)c3ccccc3[nH+]2)C1 ZINC000091482888 1410074383 /nfs/dbraw/zinc/07/43/83/1410074383.db2.gz ZJPSHKASOFWFHJ-ROUUACIJSA-N 3 2 382.556 3.137 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092396587 1410149550 /nfs/dbraw/zinc/14/95/50/1410149550.db2.gz VDDBKRCFVLDXLU-UHFFFAOYSA-N 3 2 375.948 3.167 20 0 GGADLP C[NH+](C)CCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645160 1410181926 /nfs/dbraw/zinc/18/19/26/1410181926.db2.gz XDWMNNGHTPFKDJ-UHFFFAOYSA-N 3 2 396.579 3.161 20 0 GGADLP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645160 1410181935 /nfs/dbraw/zinc/18/19/35/1410181935.db2.gz XDWMNNGHTPFKDJ-UHFFFAOYSA-N 3 2 396.579 3.161 20 0 GGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000092664671 1410184859 /nfs/dbraw/zinc/18/48/59/1410184859.db2.gz YCIXHTCGXWWIHI-PMACEKPBSA-N 2 2 381.568 3.171 20 0 GGADLP COc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1OC(F)F ZINC000092665408 1410184912 /nfs/dbraw/zinc/18/49/12/1410184912.db2.gz AZNLOCZLPGBSJZ-IAGOWNOFSA-N 2 2 397.510 3.287 20 0 GGADLP Cc1nc(CN2CC[NH+](Cc3ccc(OCC[NH+]4CCCC4)cc3)CC2)oc1C ZINC000093056312 1410219088 /nfs/dbraw/zinc/21/90/88/1410219088.db2.gz CFQFKOPAGPQOQC-UHFFFAOYSA-N 2 2 398.551 3.084 20 0 GGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000093132811 1410223469 /nfs/dbraw/zinc/22/34/69/1410223469.db2.gz ABXKYNYAPOOJEL-GOSISDBHSA-N 2 2 395.975 3.349 20 0 GGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000093132811 1410223473 /nfs/dbraw/zinc/22/34/73/1410223473.db2.gz ABXKYNYAPOOJEL-GOSISDBHSA-N 2 2 395.975 3.349 20 0 GGADLP CCCOc1c(Cl)cc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000093132810 1410223847 /nfs/dbraw/zinc/22/38/47/1410223847.db2.gz ABXKYNYAPOOJEL-SFHVURJKSA-N 2 2 395.975 3.349 20 0 GGADLP CCCOc1c(Cl)cc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1OC ZINC000093132810 1410223854 /nfs/dbraw/zinc/22/38/54/1410223854.db2.gz ABXKYNYAPOOJEL-SFHVURJKSA-N 2 2 395.975 3.349 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(Cl)c3F)CC2)CC1 ZINC000093141981 1410226345 /nfs/dbraw/zinc/22/63/45/1410226345.db2.gz RUTNYYPADVWLFN-UHFFFAOYSA-N 2 2 381.923 3.245 20 0 GGADLP COc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821210 1410272535 /nfs/dbraw/zinc/27/25/35/1410272535.db2.gz PTXKAGIHUXRGQK-JOCHJYFZSA-N 2 2 393.531 3.101 20 0 GGADLP COc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821210 1410272544 /nfs/dbraw/zinc/27/25/44/1410272544.db2.gz PTXKAGIHUXRGQK-JOCHJYFZSA-N 2 2 393.531 3.101 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1N(C)C ZINC000093943487 1410288330 /nfs/dbraw/zinc/28/83/30/1410288330.db2.gz WBECIIAIGSFADH-IBGZPJMESA-N 2 2 383.536 3.314 20 0 GGADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000098034277 1410398933 /nfs/dbraw/zinc/39/89/33/1410398933.db2.gz CQOHNASOWIFBEP-GUDVDZBRSA-N 2 2 387.572 3.238 20 0 GGADLP Cc1ccc(NC(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)nc1 ZINC000101545276 1410457543 /nfs/dbraw/zinc/45/75/43/1410457543.db2.gz RFTIWMXSGLDYMQ-UHFFFAOYSA-N 2 2 375.476 3.426 20 0 GGADLP CCOc1c(OC)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000101593880 1410474460 /nfs/dbraw/zinc/47/44/60/1410474460.db2.gz GHYBTRKWOXQCDZ-UHFFFAOYSA-N 2 2 382.464 3.281 20 0 GGADLP CC[NH+]1CCN(CCC(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC1 ZINC000101646177 1410484521 /nfs/dbraw/zinc/48/45/21/1410484521.db2.gz IGVQSVCHFSGJNE-UHFFFAOYSA-N 2 2 383.540 3.021 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000102003861 1410541761 /nfs/dbraw/zinc/54/17/61/1410541761.db2.gz JHARPAKWZVCAIM-LJQANCHMSA-N 2 2 381.480 3.348 20 0 GGADLP C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000103126121 1410829801 /nfs/dbraw/zinc/82/98/01/1410829801.db2.gz FSUIFHSYVFEYBC-UHFFFAOYSA-N 2 2 392.503 3.192 20 0 GGADLP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)CC1 ZINC000103302060 1410844613 /nfs/dbraw/zinc/84/46/13/1410844613.db2.gz ZKXOWIWTQNVHDP-NRFANRHFSA-N 2 2 399.583 3.335 20 0 GGADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103311977 1410846253 /nfs/dbraw/zinc/84/62/53/1410846253.db2.gz UNOUVDSVUPLAOJ-KRWDZBQOSA-N 2 2 387.553 3.203 20 0 GGADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103311977 1410846256 /nfs/dbraw/zinc/84/62/56/1410846256.db2.gz UNOUVDSVUPLAOJ-KRWDZBQOSA-N 2 2 387.553 3.203 20 0 GGADLP CC[C@@H](C)[C@H](C)[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000104965961 1411004910 /nfs/dbraw/zinc/00/49/10/1411004910.db2.gz QMUDNRHHPFQRKX-MOPGFXCFSA-N 2 2 387.568 3.034 20 0 GGADLP CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000104965961 1411004923 /nfs/dbraw/zinc/00/49/23/1411004923.db2.gz QMUDNRHHPFQRKX-MOPGFXCFSA-N 2 2 387.568 3.034 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000105083642 1411026214 /nfs/dbraw/zinc/02/62/14/1411026214.db2.gz XFAFREYVVLDREO-KRWDZBQOSA-N 2 2 387.553 3.472 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000105089026 1411026938 /nfs/dbraw/zinc/02/69/38/1411026938.db2.gz VHJWQVJQBFOZJV-SFHVURJKSA-N 2 2 386.584 3.294 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000105089026 1411026946 /nfs/dbraw/zinc/02/69/46/1411026946.db2.gz VHJWQVJQBFOZJV-SFHVURJKSA-N 2 2 386.584 3.294 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000105119564 1411031145 /nfs/dbraw/zinc/03/11/45/1411031145.db2.gz AFRSGQXGFNXCKK-UHFFFAOYSA-N 2 2 386.584 3.380 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NC1CCC(c2ccccc2)CC1 ZINC000105119564 1411031153 /nfs/dbraw/zinc/03/11/53/1411031153.db2.gz AFRSGQXGFNXCKK-UHFFFAOYSA-N 2 2 386.584 3.380 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000105131628 1411032493 /nfs/dbraw/zinc/03/24/93/1411032493.db2.gz BWOQFEUDCGEUSS-OAHLLOKOSA-N 2 2 398.498 3.016 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000105131628 1411032501 /nfs/dbraw/zinc/03/25/01/1411032501.db2.gz BWOQFEUDCGEUSS-OAHLLOKOSA-N 2 2 398.498 3.016 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000105204664 1411041522 /nfs/dbraw/zinc/04/15/22/1411041522.db2.gz SAGGOZULSLAORN-OAQYLSRUSA-N 2 2 386.584 3.467 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000105204664 1411041532 /nfs/dbraw/zinc/04/15/32/1411041532.db2.gz SAGGOZULSLAORN-OAQYLSRUSA-N 2 2 386.584 3.467 20 0 GGADLP COc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000105522162 1411076511 /nfs/dbraw/zinc/07/65/11/1411076511.db2.gz MEXOSQDCKLGBCS-HSZRJFAPSA-N 2 2 393.531 3.177 20 0 GGADLP COc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000105522162 1411076518 /nfs/dbraw/zinc/07/65/18/1411076518.db2.gz MEXOSQDCKLGBCS-HSZRJFAPSA-N 2 2 393.531 3.177 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2CCCc3cc(OC)ccc32)C1 ZINC000106214495 1411181496 /nfs/dbraw/zinc/18/14/96/1411181496.db2.gz AKGAJYXWXJOBHI-GOSISDBHSA-N 2 2 382.508 3.070 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2CCCc3cc(OC)ccc32)C1 ZINC000106214495 1411181515 /nfs/dbraw/zinc/18/15/15/1411181515.db2.gz AKGAJYXWXJOBHI-GOSISDBHSA-N 2 2 382.508 3.070 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC000106575111 1411252589 /nfs/dbraw/zinc/25/25/89/1411252589.db2.gz ZEYJBGZHYKWHOA-HNNXBMFYSA-N 2 2 395.617 3.169 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC000106575111 1411252601 /nfs/dbraw/zinc/25/26/01/1411252601.db2.gz ZEYJBGZHYKWHOA-HNNXBMFYSA-N 2 2 395.617 3.169 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4ccc(OC)cc4)n3)C2)CC1 ZINC000107371873 1411365980 /nfs/dbraw/zinc/36/59/80/1411365980.db2.gz XVNMRIAKYWFIEB-IBGZPJMESA-N 2 2 386.565 3.031 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4ccc(OC)cc4)n3)C2)CC1 ZINC000107371873 1411365983 /nfs/dbraw/zinc/36/59/83/1411365983.db2.gz XVNMRIAKYWFIEB-IBGZPJMESA-N 2 2 386.565 3.031 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4ccc(C(C)C)cc4)no3)C2)CC1 ZINC000107372013 1411366062 /nfs/dbraw/zinc/36/60/62/1411366062.db2.gz UKJAAWFXBWSFIC-HXUWFJFHSA-N 2 2 383.540 3.072 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4ccc(C(C)C)cc4)no3)C2)CC1 ZINC000107372013 1411366070 /nfs/dbraw/zinc/36/60/70/1411366070.db2.gz UKJAAWFXBWSFIC-HXUWFJFHSA-N 2 2 383.540 3.072 20 0 GGADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371588 1411366123 /nfs/dbraw/zinc/36/61/23/1411366123.db2.gz IDVIBODHVDBJEV-ZCNNSNEGSA-N 2 2 386.584 3.239 20 0 GGADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371588 1411366126 /nfs/dbraw/zinc/36/61/26/1411366126.db2.gz IDVIBODHVDBJEV-ZCNNSNEGSA-N 2 2 386.584 3.239 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000107613842 1411393308 /nfs/dbraw/zinc/39/33/08/1411393308.db2.gz PYTDDCJCTZUVSQ-HXUWFJFHSA-N 2 2 378.476 3.481 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000107613846 1411393530 /nfs/dbraw/zinc/39/35/30/1411393530.db2.gz PYTDDCJCTZUVSQ-FQEVSTJZSA-N 2 2 378.476 3.481 20 0 GGADLP CC(C)c1nc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cs1 ZINC000108420697 1411496597 /nfs/dbraw/zinc/49/65/97/1411496597.db2.gz NRTSGDZITCRWBY-GOSISDBHSA-N 2 2 386.565 3.254 20 0 GGADLP CC(C)c1nc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cs1 ZINC000108420697 1411496616 /nfs/dbraw/zinc/49/66/16/1411496616.db2.gz NRTSGDZITCRWBY-GOSISDBHSA-N 2 2 386.565 3.254 20 0 GGADLP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000108421947 1411497759 /nfs/dbraw/zinc/49/77/59/1411497759.db2.gz VDEJFDNQTSPQJX-QFIPXVFZSA-N 2 2 399.579 3.283 20 0 GGADLP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000108421947 1411497774 /nfs/dbraw/zinc/49/77/74/1411497774.db2.gz VDEJFDNQTSPQJX-QFIPXVFZSA-N 2 2 399.579 3.283 20 0 GGADLP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000108591322 1411546682 /nfs/dbraw/zinc/54/66/82/1411546682.db2.gz KEXJSIJWETWEBD-UHFFFAOYSA-N 2 2 392.478 3.465 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(OC4CCCC4)c3)CC2)CC1 ZINC000108790958 1411612530 /nfs/dbraw/zinc/61/25/30/1411612530.db2.gz BERGLODVRMASDI-UHFFFAOYSA-N 2 2 385.552 3.296 20 0 GGADLP COc1cccc(C2(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCCC2)c1 ZINC000108790956 1411612703 /nfs/dbraw/zinc/61/27/03/1411612703.db2.gz UYMKNQRXSQEOKU-UHFFFAOYSA-N 2 2 399.579 3.182 20 0 GGADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000109032692 1411666970 /nfs/dbraw/zinc/66/69/70/1411666970.db2.gz MFNAQIZFEUPAHV-MRXNPFEDSA-N 2 2 399.366 3.351 20 0 GGADLP C[N@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000109032692 1411666983 /nfs/dbraw/zinc/66/69/83/1411666983.db2.gz MFNAQIZFEUPAHV-MRXNPFEDSA-N 2 2 399.366 3.351 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(Br)cc2)nc[nH+]1 ZINC000109069805 1411674945 /nfs/dbraw/zinc/67/49/45/1411674945.db2.gz MGZJIWGTWWHGHM-HNNXBMFYSA-N 2 2 376.302 3.039 20 0 GGADLP CCCOc1ccc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)cc1OC ZINC000109070025 1411674958 /nfs/dbraw/zinc/67/49/58/1411674958.db2.gz ZUKHWQVHBDRENK-KRWDZBQOSA-N 2 2 385.512 3.074 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccccc2Br)nc[nH+]1 ZINC000109070032 1411675425 /nfs/dbraw/zinc/67/54/25/1411675425.db2.gz CYOCIDLOSLENSJ-AWEZNQCLSA-N 2 2 376.302 3.039 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)nc[nH+]1 ZINC000109070152 1411675833 /nfs/dbraw/zinc/67/58/33/1411675833.db2.gz SXDMURRLSKMUCK-OAHLLOKOSA-N 2 2 395.429 3.218 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)nc[nH+]1 ZINC000109070378 1411675941 /nfs/dbraw/zinc/67/59/41/1411675941.db2.gz TZJNVJCQUGUGHO-KRWDZBQOSA-N 2 2 385.512 3.073 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(Br)s2)nc[nH+]1 ZINC000109070211 1411675982 /nfs/dbraw/zinc/67/59/82/1411675982.db2.gz NXQNCCFRKTZBPR-LLVKDONJSA-N 2 2 382.331 3.101 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)nc[nH+]1 ZINC000109070330 1411676151 /nfs/dbraw/zinc/67/61/51/1411676151.db2.gz LNOQUVXIMUQECW-LJQANCHMSA-N 2 2 391.523 3.079 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000109792660 1411810551 /nfs/dbraw/zinc/81/05/51/1411810551.db2.gz FMHJPKKTJKHEIU-UHFFFAOYSA-N 2 2 384.814 3.414 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000109794571 1411810987 /nfs/dbraw/zinc/81/09/87/1411810987.db2.gz YXTVJHMIRVHJAL-UHFFFAOYSA-N 2 2 389.503 3.317 20 0 GGADLP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109796165 1411811154 /nfs/dbraw/zinc/81/11/54/1411811154.db2.gz ANIZFIXKXRSHBU-INIZCTEOSA-N 2 2 384.480 3.112 20 0 GGADLP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000109942616 1411819984 /nfs/dbraw/zinc/81/99/84/1411819984.db2.gz HLROWQVVGQCZBZ-UHFFFAOYSA-N 2 2 389.503 3.413 20 0 GGADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000110073499 1411829764 /nfs/dbraw/zinc/82/97/64/1411829764.db2.gz RUSCUVDGXNSCIS-UHFFFAOYSA-N 2 2 397.523 3.156 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000110114055 1411831767 /nfs/dbraw/zinc/83/17/67/1411831767.db2.gz HMWSLSDJWCZCBU-ICSRJNTNSA-N 2 2 383.540 3.180 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1 ZINC000110122613 1411832474 /nfs/dbraw/zinc/83/24/74/1411832474.db2.gz WMVRVRLKYLUXFQ-FQEVSTJZSA-N 2 2 383.540 3.139 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1 ZINC000110122613 1411832475 /nfs/dbraw/zinc/83/24/75/1411832475.db2.gz WMVRVRLKYLUXFQ-FQEVSTJZSA-N 2 2 383.540 3.139 20 0 GGADLP C[C@@H](CSc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000110674607 1411863289 /nfs/dbraw/zinc/86/32/89/1411863289.db2.gz JPMSTBDOPZWYNS-KRWDZBQOSA-N 2 2 375.582 3.090 20 0 GGADLP C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000111458810 1411965300 /nfs/dbraw/zinc/96/53/00/1411965300.db2.gz CFSYTUNIBOCRNB-IBGZPJMESA-N 2 2 395.551 3.392 20 0 GGADLP C[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000111458810 1411965325 /nfs/dbraw/zinc/96/53/25/1411965325.db2.gz CFSYTUNIBOCRNB-IBGZPJMESA-N 2 2 395.551 3.392 20 0 GGADLP C[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000111465743 1411968202 /nfs/dbraw/zinc/96/82/02/1411968202.db2.gz ARMQBGMPILLGAO-LJQANCHMSA-N 2 2 391.519 3.251 20 0 GGADLP C[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000111465743 1411968236 /nfs/dbraw/zinc/96/82/36/1411968236.db2.gz ARMQBGMPILLGAO-LJQANCHMSA-N 2 2 391.519 3.251 20 0 GGADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)[NH+](C)Cc1ccccc1 ZINC000111631143 1412003668 /nfs/dbraw/zinc/00/36/68/1412003668.db2.gz MHVHOLRNEUBBNQ-UGKGYDQZSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)[NH+](C)Cc1ccccc1 ZINC000111631143 1412003678 /nfs/dbraw/zinc/00/36/78/1412003678.db2.gz MHVHOLRNEUBBNQ-UGKGYDQZSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000111631143 1412003685 /nfs/dbraw/zinc/00/36/85/1412003685.db2.gz MHVHOLRNEUBBNQ-UGKGYDQZSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000111631143 1412003691 /nfs/dbraw/zinc/00/36/91/1412003691.db2.gz MHVHOLRNEUBBNQ-UGKGYDQZSA-N 2 2 380.536 3.073 20 0 GGADLP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000111742368 1412021914 /nfs/dbraw/zinc/02/19/14/1412021914.db2.gz WOYDDHSLJSIMNG-UHFFFAOYSA-N 2 2 385.537 3.301 20 0 GGADLP CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000111801766 1412031193 /nfs/dbraw/zinc/03/11/93/1412031193.db2.gz SIPCKNUCXKBUMG-SFHVURJKSA-N 2 2 396.938 3.227 20 0 GGADLP CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000111801766 1412031200 /nfs/dbraw/zinc/03/12/00/1412031200.db2.gz SIPCKNUCXKBUMG-SFHVURJKSA-N 2 2 396.938 3.227 20 0 GGADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000111857267 1412039908 /nfs/dbraw/zinc/03/99/08/1412039908.db2.gz GUJFIJWOHINLMJ-GOSISDBHSA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000111857267 1412039916 /nfs/dbraw/zinc/03/99/16/1412039916.db2.gz GUJFIJWOHINLMJ-GOSISDBHSA-N 2 2 396.938 3.085 20 0 GGADLP CC(C)c1ccc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000112505830 1412158915 /nfs/dbraw/zinc/15/89/15/1412158915.db2.gz MMOSLMBMENAZSI-OAQYLSRUSA-N 2 2 395.551 3.195 20 0 GGADLP CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000112547786 1412166574 /nfs/dbraw/zinc/16/65/74/1412166574.db2.gz GICFQKYUOSCSBX-WOJBJXKFSA-N 2 2 381.524 3.023 20 0 GGADLP CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000112547787 1412166885 /nfs/dbraw/zinc/16/68/85/1412166885.db2.gz GICFQKYUOSCSBX-PMACEKPBSA-N 2 2 381.524 3.023 20 0 GGADLP CCO[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000112675934 1412190234 /nfs/dbraw/zinc/19/02/34/1412190234.db2.gz DFQXZJWMUSSLDU-PXNSSMCTSA-N 2 2 393.959 3.094 20 0 GGADLP CCO[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000112675934 1412190245 /nfs/dbraw/zinc/19/02/45/1412190245.db2.gz DFQXZJWMUSSLDU-PXNSSMCTSA-N 2 2 393.959 3.094 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000112678426 1412190942 /nfs/dbraw/zinc/19/09/42/1412190942.db2.gz JELIHPLANIDBIZ-UHFFFAOYSA-N 2 2 386.512 3.491 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(SC(F)F)c1 ZINC000112678426 1412190948 /nfs/dbraw/zinc/19/09/48/1412190948.db2.gz JELIHPLANIDBIZ-UHFFFAOYSA-N 2 2 386.512 3.491 20 0 GGADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177206586 1428631240 /nfs/dbraw/zinc/63/12/40/1428631240.db2.gz KFGKMNFKJYWSER-SVMVAKDDSA-N 2 2 396.535 3.106 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177208017 1428631961 /nfs/dbraw/zinc/63/19/61/1428631961.db2.gz SREYAFKRHAPJDQ-KRWDZBQOSA-N 2 2 398.532 3.033 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000112921445 1412241136 /nfs/dbraw/zinc/24/11/36/1412241136.db2.gz QEOALQSPWVOOCB-UHFFFAOYSA-N 2 2 378.520 3.419 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000112921445 1412241145 /nfs/dbraw/zinc/24/11/45/1412241145.db2.gz QEOALQSPWVOOCB-UHFFFAOYSA-N 2 2 378.520 3.419 20 0 GGADLP COc1ccc(C[NH+](C)CC(C)C[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000177215048 1428635947 /nfs/dbraw/zinc/63/59/47/1428635947.db2.gz LCQDIFMHSOWPHM-UHFFFAOYSA-N 2 2 388.508 3.315 20 0 GGADLP COc1ccc(C[NH+](C)CC(C)C[N@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000177215048 1428635949 /nfs/dbraw/zinc/63/59/49/1428635949.db2.gz LCQDIFMHSOWPHM-UHFFFAOYSA-N 2 2 388.508 3.315 20 0 GGADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1 ZINC000113339400 1412294364 /nfs/dbraw/zinc/29/43/64/1412294364.db2.gz FRQBYQSHLMURSJ-OAHLLOKOSA-N 2 2 394.972 3.101 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@](C)(c4ccccc4)C3)CC2)CC1 ZINC000113388626 1412303063 /nfs/dbraw/zinc/30/30/63/1412303063.db2.gz RXESWBYURBPTCM-XMMPIXPASA-N 2 2 398.595 3.308 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000113934106 1412354128 /nfs/dbraw/zinc/35/41/28/1412354128.db2.gz ISZIBFYUWFXVTQ-IAGOWNOFSA-N 2 2 388.943 3.434 20 0 GGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000113934106 1412354133 /nfs/dbraw/zinc/35/41/33/1412354133.db2.gz ISZIBFYUWFXVTQ-IAGOWNOFSA-N 2 2 388.943 3.434 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000113934106 1412354136 /nfs/dbraw/zinc/35/41/36/1412354136.db2.gz ISZIBFYUWFXVTQ-IAGOWNOFSA-N 2 2 388.943 3.434 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000113934106 1412354137 /nfs/dbraw/zinc/35/41/37/1412354137.db2.gz ISZIBFYUWFXVTQ-IAGOWNOFSA-N 2 2 388.943 3.434 20 0 GGADLP COc1cccc([C@H](CNC(=O)c2cc(C)ccc2-n2cc[nH+]c2)[NH+](C)C)c1 ZINC000114162523 1412385010 /nfs/dbraw/zinc/38/50/10/1412385010.db2.gz BFSLJWRMLINYSL-NRFANRHFSA-N 2 2 378.476 3.222 20 0 GGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000114179588 1412388090 /nfs/dbraw/zinc/38/80/90/1412388090.db2.gz KHWYWHGBODODJK-RTBURBONSA-N 2 2 396.535 3.142 20 0 GGADLP Cc1cccc(C)c1OC[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255355 1428655491 /nfs/dbraw/zinc/65/54/91/1428655491.db2.gz RMLYXAJTGXXMEB-HSZRJFAPSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1cccc(C)c1OC[C@H](O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255355 1428655498 /nfs/dbraw/zinc/65/54/98/1428655498.db2.gz RMLYXAJTGXXMEB-HSZRJFAPSA-N 2 2 397.563 3.077 20 0 GGADLP C[N@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260605 1428658464 /nfs/dbraw/zinc/65/84/64/1428658464.db2.gz LYLPCIVXVBLNCP-NRFANRHFSA-N 2 2 375.463 3.032 20 0 GGADLP C[N@@H+](C[C@H](O)c1ccc(F)c(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177260605 1428658475 /nfs/dbraw/zinc/65/84/75/1428658475.db2.gz LYLPCIVXVBLNCP-NRFANRHFSA-N 2 2 375.463 3.032 20 0 GGADLP C[N@H+](CCC(=O)Nc1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261606 1428659295 /nfs/dbraw/zinc/65/92/95/1428659295.db2.gz VBRIHKULHJAYDB-UHFFFAOYSA-N 2 2 384.499 3.188 20 0 GGADLP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261606 1428659304 /nfs/dbraw/zinc/65/93/04/1428659304.db2.gz VBRIHKULHJAYDB-UHFFFAOYSA-N 2 2 384.499 3.188 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)[NH+](C)C)cc1 ZINC000114789239 1412524669 /nfs/dbraw/zinc/52/46/69/1412524669.db2.gz XLBGPWALAIKPKW-SIKLNZKXSA-N 2 2 395.551 3.081 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)[NH+](C)C)cc1 ZINC000114789244 1412524713 /nfs/dbraw/zinc/52/47/13/1412524713.db2.gz XLBGPWALAIKPKW-KNQAVFIVSA-N 2 2 395.551 3.081 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000114790616 1412525946 /nfs/dbraw/zinc/52/59/46/1412525946.db2.gz VTGFMYJPLIIIJC-FQEVSTJZSA-N 2 2 387.572 3.126 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)CC(C)C ZINC000114821424 1412533552 /nfs/dbraw/zinc/53/35/52/1412533552.db2.gz NESYAGZPKZDRKV-TZIWHRDSSA-N 2 2 389.588 3.226 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)c1ccco1 ZINC000114826589 1412534338 /nfs/dbraw/zinc/53/43/38/1412534338.db2.gz PDSGOUPDQBDFLY-AZUAARDMSA-N 2 2 399.539 3.146 20 0 GGADLP C[N@H+](CCc1nc(-c2ccccc2)no1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258860 1428657745 /nfs/dbraw/zinc/65/77/45/1428657745.db2.gz SXURWGNRJPCRBK-UHFFFAOYSA-N 2 2 391.519 3.313 20 0 GGADLP C[N@@H+](CCc1nc(-c2ccccc2)no1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258860 1428657757 /nfs/dbraw/zinc/65/77/57/1428657757.db2.gz SXURWGNRJPCRBK-UHFFFAOYSA-N 2 2 391.519 3.313 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000115548167 1412706004 /nfs/dbraw/zinc/70/60/04/1412706004.db2.gz NDSXWIFBGYUHGG-UHFFFAOYSA-N 2 2 378.520 3.280 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000115548167 1412706011 /nfs/dbraw/zinc/70/60/11/1412706011.db2.gz NDSXWIFBGYUHGG-UHFFFAOYSA-N 2 2 378.520 3.280 20 0 GGADLP CC1CCC([NH+]2CCN(C(=O)NCc3cccc(Cn4cc[nH+]c4)c3)CC2)CC1 ZINC000115660904 1412750696 /nfs/dbraw/zinc/75/06/96/1412750696.db2.gz QEZIIIIKHOQZFP-UHFFFAOYSA-N 2 2 395.551 3.337 20 0 GGADLP C[NH+](C)Cc1cc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)ccc1F ZINC000115695640 1412764726 /nfs/dbraw/zinc/76/47/26/1412764726.db2.gz KIZKUAXOTVKTKJ-UHFFFAOYSA-N 2 2 395.482 3.132 20 0 GGADLP C[NH+](C)CC[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(C)(C)C ZINC000116129469 1412834744 /nfs/dbraw/zinc/83/47/44/1412834744.db2.gz YLHOWLMQZUMLOF-IBGZPJMESA-N 2 2 399.539 3.008 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000116385495 1412853830 /nfs/dbraw/zinc/85/38/30/1412853830.db2.gz HNTNYJMNLZCZHU-RDPSFJRHSA-N 3 2 396.579 3.412 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000116385495 1412853831 /nfs/dbraw/zinc/85/38/31/1412853831.db2.gz HNTNYJMNLZCZHU-RDPSFJRHSA-N 3 2 396.579 3.412 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000117744503 1413073933 /nfs/dbraw/zinc/07/39/33/1413073933.db2.gz WRIYIEJIRLNPGP-OAQYLSRUSA-N 2 2 390.487 3.448 20 0 GGADLP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000117759861 1413076975 /nfs/dbraw/zinc/07/69/75/1413076975.db2.gz YZLDGSGCNUYZFJ-UHFFFAOYSA-N 2 2 378.451 3.406 20 0 GGADLP C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117788404 1413079380 /nfs/dbraw/zinc/07/93/80/1413079380.db2.gz VRTRSOPZHFJIIM-UHFFFAOYSA-N 2 2 378.476 3.133 20 0 GGADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117798324 1413080410 /nfs/dbraw/zinc/08/04/10/1413080410.db2.gz BGEAJSMOPRWGFC-JOCHJYFZSA-N 2 2 389.503 3.394 20 0 GGADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117798324 1413080421 /nfs/dbraw/zinc/08/04/21/1413080421.db2.gz BGEAJSMOPRWGFC-JOCHJYFZSA-N 2 2 389.503 3.394 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c(C[NH+](C)C)c1 ZINC000117805912 1413080511 /nfs/dbraw/zinc/08/05/11/1413080511.db2.gz VEYFFMRHGIBCLZ-SFHVURJKSA-N 2 2 398.526 3.345 20 0 GGADLP Cc1nn(-c2ccccc2)c(Cl)c1CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000177377795 1428710603 /nfs/dbraw/zinc/71/06/03/1428710603.db2.gz OCPFJWBXFNUITN-UHFFFAOYSA-N 2 2 389.975 3.292 20 0 GGADLP Cc1nn(-c2ccccc2)c(Cl)c1CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000177377795 1428710606 /nfs/dbraw/zinc/71/06/06/1428710606.db2.gz OCPFJWBXFNUITN-UHFFFAOYSA-N 2 2 389.975 3.292 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)CC1 ZINC000118834597 1413237659 /nfs/dbraw/zinc/23/76/59/1413237659.db2.gz QWUNATUZJZYFID-PKTZIBPZSA-N 2 2 392.547 3.078 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)CC1 ZINC000118834597 1413237667 /nfs/dbraw/zinc/23/76/67/1413237667.db2.gz QWUNATUZJZYFID-PKTZIBPZSA-N 2 2 392.547 3.078 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)CC1 ZINC000118834599 1413238197 /nfs/dbraw/zinc/23/81/97/1413238197.db2.gz QWUNATUZJZYFID-GOTSBHOMSA-N 2 2 392.547 3.078 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C(=O)Nc3ccccc3)c3ccccc3)C2)CC1 ZINC000118834599 1413238202 /nfs/dbraw/zinc/23/82/02/1413238202.db2.gz QWUNATUZJZYFID-GOTSBHOMSA-N 2 2 392.547 3.078 20 0 GGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000118886993 1413259668 /nfs/dbraw/zinc/25/96/68/1413259668.db2.gz JXZNHNOGJYNLRY-OAQYLSRUSA-N 2 2 388.515 3.475 20 0 GGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000118886993 1413259677 /nfs/dbraw/zinc/25/96/77/1413259677.db2.gz JXZNHNOGJYNLRY-OAQYLSRUSA-N 2 2 388.515 3.475 20 0 GGADLP CN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000119095710 1413335200 /nfs/dbraw/zinc/33/52/00/1413335200.db2.gz KHHFZKOONGXRRR-UHFFFAOYSA-N 2 2 383.511 3.081 20 0 GGADLP CC[NH+](CC)CCNC(=O)c1cccc(NCc2c[nH+]c3c(C)cccn23)c1 ZINC000119101544 1413336744 /nfs/dbraw/zinc/33/67/44/1413336744.db2.gz XTQOYMCKNXWUQE-UHFFFAOYSA-N 2 2 379.508 3.326 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)C[N@@H+]1CCc2ccccc2C1 ZINC000119301702 1413404354 /nfs/dbraw/zinc/40/43/54/1413404354.db2.gz WMSPIBFWGHDLAU-GOSISDBHSA-N 2 2 380.410 3.094 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(OC(F)(F)F)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000119301702 1413404355 /nfs/dbraw/zinc/40/43/55/1413404355.db2.gz WMSPIBFWGHDLAU-GOSISDBHSA-N 2 2 380.410 3.094 20 0 GGADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]Cc3ccncc3)CC2)c1 ZINC000119321545 1413411648 /nfs/dbraw/zinc/41/16/48/1413411648.db2.gz OXFMTVIEHBCSRY-UHFFFAOYSA-N 2 2 378.442 3.402 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000119359263 1413422786 /nfs/dbraw/zinc/42/27/86/1413422786.db2.gz WKPDXRLMOJZTHG-SFTDATJTSA-N 2 2 380.536 3.113 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000119359263 1413422796 /nfs/dbraw/zinc/42/27/96/1413422796.db2.gz WKPDXRLMOJZTHG-SFTDATJTSA-N 2 2 380.536 3.113 20 0 GGADLP CC[C@@H](C)Oc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1OC ZINC000119513564 1413472062 /nfs/dbraw/zinc/47/20/62/1413472062.db2.gz GRERPTVCOQVMOL-LJQANCHMSA-N 2 2 375.557 3.086 20 0 GGADLP CC[C@H](C)Oc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1OC ZINC000119513732 1413472139 /nfs/dbraw/zinc/47/21/39/1413472139.db2.gz GRERPTVCOQVMOL-IBGZPJMESA-N 2 2 375.557 3.086 20 0 GGADLP CSc1cc(C)ccc1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000119659278 1413519375 /nfs/dbraw/zinc/51/93/75/1413519375.db2.gz KQVMEZHWIHYTEV-UHFFFAOYSA-N 2 2 390.597 3.075 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177440377 1428737558 /nfs/dbraw/zinc/73/75/58/1428737558.db2.gz MNTJGLPLJVMIGB-UHFFFAOYSA-N 2 2 381.524 3.469 20 0 GGADLP Cc1ccc2c(C[NH+]3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)cc(=O)oc2c1 ZINC000120047780 1413667033 /nfs/dbraw/zinc/66/70/33/1413667033.db2.gz QOAOTKNUKKQJNS-KDURUIRLSA-N 2 2 383.536 3.092 20 0 GGADLP Cc1ccc2c(C[NH+]3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)cc(=O)oc2c1 ZINC000120047780 1413667038 /nfs/dbraw/zinc/66/70/38/1413667038.db2.gz QOAOTKNUKKQJNS-KDURUIRLSA-N 2 2 383.536 3.092 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)CC1 ZINC000120186695 1413723531 /nfs/dbraw/zinc/72/35/31/1413723531.db2.gz PWMUEKFYDLXADM-UHFFFAOYSA-N 2 2 398.473 3.472 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(CC(F)(F)F)c3)CC2)CC1 ZINC000120219672 1413736753 /nfs/dbraw/zinc/73/67/53/1413736753.db2.gz VWDQMYCLVAHZDV-UHFFFAOYSA-N 2 2 398.473 3.472 20 0 GGADLP Cc1cc(N(C)C)cc(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120311252 1413779472 /nfs/dbraw/zinc/77/94/72/1413779472.db2.gz FPDBZNJHLVIQGV-UHFFFAOYSA-N 2 2 387.572 3.050 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)CC1 ZINC000120457452 1413822244 /nfs/dbraw/zinc/82/22/44/1413822244.db2.gz QRSKCNAWISERKX-HXUWFJFHSA-N 2 2 389.588 3.142 20 0 GGADLP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120530952 1413837083 /nfs/dbraw/zinc/83/70/83/1413837083.db2.gz SXIOKFLTSGMKPM-NQIIRXRSSA-N 2 2 383.467 3.113 20 0 GGADLP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120530952 1413837086 /nfs/dbraw/zinc/83/70/86/1413837086.db2.gz SXIOKFLTSGMKPM-NQIIRXRSSA-N 2 2 383.467 3.113 20 0 GGADLP C[N@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000120565604 1413844312 /nfs/dbraw/zinc/84/43/12/1413844312.db2.gz UQKDRTRFEFOIBA-HXUWFJFHSA-N 2 2 387.549 3.404 20 0 GGADLP C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000120565604 1413844315 /nfs/dbraw/zinc/84/43/15/1413844315.db2.gz UQKDRTRFEFOIBA-HXUWFJFHSA-N 2 2 387.549 3.404 20 0 GGADLP C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000120565604 1413844322 /nfs/dbraw/zinc/84/43/22/1413844322.db2.gz UQKDRTRFEFOIBA-HXUWFJFHSA-N 2 2 387.549 3.404 20 0 GGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000120627500 1413859452 /nfs/dbraw/zinc/85/94/52/1413859452.db2.gz HMAUVMAWDUEODD-ZWKOTPCHSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000120627500 1413859454 /nfs/dbraw/zinc/85/94/54/1413859454.db2.gz HMAUVMAWDUEODD-ZWKOTPCHSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000120627500 1413859457 /nfs/dbraw/zinc/85/94/57/1413859457.db2.gz HMAUVMAWDUEODD-ZWKOTPCHSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000120627500 1413859459 /nfs/dbraw/zinc/85/94/59/1413859459.db2.gz HMAUVMAWDUEODD-ZWKOTPCHSA-N 2 2 378.586 3.066 20 0 GGADLP CC[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120674270 1413871787 /nfs/dbraw/zinc/87/17/87/1413871787.db2.gz NNUFHEFXVWDJHJ-SIKLNZKXSA-N 2 2 387.568 3.036 20 0 GGADLP CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120674270 1413871792 /nfs/dbraw/zinc/87/17/92/1413871792.db2.gz NNUFHEFXVWDJHJ-SIKLNZKXSA-N 2 2 387.568 3.036 20 0 GGADLP CC[C@@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120673824 1413871997 /nfs/dbraw/zinc/87/19/97/1413871997.db2.gz NNUFHEFXVWDJHJ-KNQAVFIVSA-N 2 2 387.568 3.036 20 0 GGADLP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120673824 1413871999 /nfs/dbraw/zinc/87/19/99/1413871999.db2.gz NNUFHEFXVWDJHJ-KNQAVFIVSA-N 2 2 387.568 3.036 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000177486226 1428762561 /nfs/dbraw/zinc/76/25/61/1428762561.db2.gz PAOSYEDREQXCBH-HNNXBMFYSA-N 2 2 399.482 3.094 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000177485520 1428762608 /nfs/dbraw/zinc/76/26/08/1428762608.db2.gz TXWRHCIBZOPWDV-IRXDYDNUSA-N 2 2 395.975 3.385 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000177486782 1428763647 /nfs/dbraw/zinc/76/36/47/1428763647.db2.gz RLJAASZSGHIFKM-LJQANCHMSA-N 2 2 393.959 3.314 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120771574 1413898195 /nfs/dbraw/zinc/89/81/95/1413898195.db2.gz ZNGFCAYGOCSSKM-OAHLLOKOSA-N 2 2 376.467 3.127 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000120771574 1413898198 /nfs/dbraw/zinc/89/81/98/1413898198.db2.gz ZNGFCAYGOCSSKM-OAHLLOKOSA-N 2 2 376.467 3.127 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000177487432 1428764358 /nfs/dbraw/zinc/76/43/58/1428764358.db2.gz YNBQTIQFUQBDTR-CQSZACIVSA-N 2 2 385.911 3.285 20 0 GGADLP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000177492190 1428766614 /nfs/dbraw/zinc/76/66/14/1428766614.db2.gz QIFJBIGMBZSUCH-RTBURBONSA-N 2 2 389.584 3.294 20 0 GGADLP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@@H](C)O1 ZINC000177497502 1428769982 /nfs/dbraw/zinc/76/99/82/1428769982.db2.gz YRMYNXJXIVKQEX-HZPDHXFCSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000177497490 1428770238 /nfs/dbraw/zinc/77/02/38/1428770238.db2.gz YRMYNXJXIVKQEX-HOTGVXAUSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)C[C@H](C)O1 ZINC000177510063 1428775874 /nfs/dbraw/zinc/77/58/74/1428775874.db2.gz LBWZTOLROPSOMV-IYBDPMFKSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)C[C@H](C)O1 ZINC000177510063 1428775881 /nfs/dbraw/zinc/77/58/81/1428775881.db2.gz LBWZTOLROPSOMV-IYBDPMFKSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000177505212 1428773547 /nfs/dbraw/zinc/77/35/47/1428773547.db2.gz SKSJBSAFLFHDGW-QZTJIDSGSA-N 2 2 384.524 3.448 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000177505178 1428773652 /nfs/dbraw/zinc/77/36/52/1428773652.db2.gz SKSJBSAFLFHDGW-HDICACEKSA-N 2 2 384.524 3.448 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000177505178 1428773658 /nfs/dbraw/zinc/77/36/58/1428773658.db2.gz SKSJBSAFLFHDGW-HDICACEKSA-N 2 2 384.524 3.448 20 0 GGADLP C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000177542796 1428787164 /nfs/dbraw/zinc/78/71/64/1428787164.db2.gz OFQRYEKSKQMZLW-WMZHIEFXSA-N 2 2 393.531 3.335 20 0 GGADLP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000177542796 1428787170 /nfs/dbraw/zinc/78/71/70/1428787170.db2.gz OFQRYEKSKQMZLW-WMZHIEFXSA-N 2 2 393.531 3.335 20 0 GGADLP O=C(Nc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1)[C@@H]1CCCO1 ZINC000121680141 1414220913 /nfs/dbraw/zinc/22/09/13/1414220913.db2.gz TWYLVENJJSQHNR-NRFANRHFSA-N 2 2 376.460 3.280 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)COc1cccc(C(F)(F)F)c1 ZINC000121744393 1414243263 /nfs/dbraw/zinc/24/32/63/1414243263.db2.gz FBYCBYQPOWWKGB-GOSISDBHSA-N 2 2 391.393 3.421 20 0 GGADLP CSCc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000121954260 1414321969 /nfs/dbraw/zinc/32/19/69/1414321969.db2.gz OWAAUSMEUYOSIA-UHFFFAOYSA-N 2 2 376.570 3.230 20 0 GGADLP COC(=O)c1sccc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122040522 1414346487 /nfs/dbraw/zinc/34/64/87/1414346487.db2.gz IELFCWWHXJUSOU-UHFFFAOYSA-N 2 2 393.553 3.061 20 0 GGADLP CC(C)n1cc2cc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2n1 ZINC000122110752 1414365169 /nfs/dbraw/zinc/36/51/69/1414365169.db2.gz KJDMXCPMZAADSE-UHFFFAOYSA-N 2 2 398.555 3.297 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000122198452 1414386471 /nfs/dbraw/zinc/38/64/71/1414386471.db2.gz QFCPTRYQJIKOAM-HLAWJBBLSA-N 2 2 393.535 3.013 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1Cc1ccccc1 ZINC000122198452 1414386474 /nfs/dbraw/zinc/38/64/74/1414386474.db2.gz QFCPTRYQJIKOAM-HLAWJBBLSA-N 2 2 393.535 3.013 20 0 GGADLP Cc1nc(CC(C)C)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000122205581 1414387968 /nfs/dbraw/zinc/38/79/68/1414387968.db2.gz IDHZRSHWFLZZJI-UHFFFAOYSA-N 2 2 393.601 3.330 20 0 GGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(-n2cnnn2)c1 ZINC000122323290 1414423945 /nfs/dbraw/zinc/42/39/45/1414423945.db2.gz QWPHEJVDZMNENT-QGZVFWFLSA-N 2 2 391.523 3.048 20 0 GGADLP Cc1cc2cccnc2c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000122327073 1414425072 /nfs/dbraw/zinc/42/50/72/1414425072.db2.gz SAMTVYVMWBNSIN-UHFFFAOYSA-N 2 2 381.524 3.223 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3c(F)cc(Cl)cc3F)CC2)CC1 ZINC000122355337 1414432995 /nfs/dbraw/zinc/43/29/95/1414432995.db2.gz HLSAJJCLDWCPMW-UHFFFAOYSA-N 2 2 386.874 3.298 20 0 GGADLP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000122358728 1414433721 /nfs/dbraw/zinc/43/37/21/1414433721.db2.gz XSFRLOPERMWAQB-UHFFFAOYSA-N 2 2 397.523 3.081 20 0 GGADLP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000122359927 1414434488 /nfs/dbraw/zinc/43/44/88/1414434488.db2.gz JNBSPSNCDUZSFM-UHFFFAOYSA-N 3 2 396.579 3.452 20 0 GGADLP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000122367611 1414436846 /nfs/dbraw/zinc/43/68/46/1414436846.db2.gz MXXSHUHGECBWNG-QFIPXVFZSA-N 2 2 389.584 3.003 20 0 GGADLP Cc1csc(-c2cccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)n1 ZINC000122452051 1414464867 /nfs/dbraw/zinc/46/48/67/1414464867.db2.gz RAGBFWPZDSJQFK-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1csc(-c2cccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)n1 ZINC000122452051 1414464869 /nfs/dbraw/zinc/46/48/69/1414464869.db2.gz RAGBFWPZDSJQFK-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP CSCc1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122575935 1414505782 /nfs/dbraw/zinc/50/57/82/1414505782.db2.gz DFEQCONPIPPPMG-UHFFFAOYSA-N 2 2 376.570 3.230 20 0 GGADLP C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000122582375 1414508229 /nfs/dbraw/zinc/50/82/29/1414508229.db2.gz AMHHOIXTDODJRS-MRXNPFEDSA-N 2 2 380.517 3.170 20 0 GGADLP C[C@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1CCc2sccc2C1 ZINC000122582375 1414508233 /nfs/dbraw/zinc/50/82/33/1414508233.db2.gz AMHHOIXTDODJRS-MRXNPFEDSA-N 2 2 380.517 3.170 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122786752 1414565045 /nfs/dbraw/zinc/56/50/45/1414565045.db2.gz AFFQKKKRGYRUQR-INIZCTEOSA-N 2 2 390.524 3.328 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122786752 1414565049 /nfs/dbraw/zinc/56/50/49/1414565049.db2.gz AFFQKKKRGYRUQR-INIZCTEOSA-N 2 2 390.524 3.328 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177649848 1428822670 /nfs/dbraw/zinc/82/26/70/1428822670.db2.gz UGYAYHXVQYFIJY-QZTJIDSGSA-N 2 2 391.519 3.290 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000123647239 1414803399 /nfs/dbraw/zinc/80/33/99/1414803399.db2.gz QJLJHFBTQNQPGG-CQSZACIVSA-N 2 2 380.414 3.332 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000123647239 1414803401 /nfs/dbraw/zinc/80/34/01/1414803401.db2.gz QJLJHFBTQNQPGG-CQSZACIVSA-N 2 2 380.414 3.332 20 0 GGADLP Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123691304 1414810827 /nfs/dbraw/zinc/81/08/27/1414810827.db2.gz ZWBDOOIEMDJHBU-IBGZPJMESA-N 2 2 379.508 3.187 20 0 GGADLP Cn1ccnc1COc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123691304 1414810829 /nfs/dbraw/zinc/81/08/29/1414810829.db2.gz ZWBDOOIEMDJHBU-IBGZPJMESA-N 2 2 379.508 3.187 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(OC)c1 ZINC000123701861 1414812446 /nfs/dbraw/zinc/81/24/46/1414812446.db2.gz VEFMFOCXRZJXFD-INIZCTEOSA-N 2 2 394.475 3.396 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000123822358 1414829780 /nfs/dbraw/zinc/82/97/80/1414829780.db2.gz NZPGOZCTRXNTTI-ZDUSSCGKSA-N 2 2 387.484 3.062 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000123822358 1414829782 /nfs/dbraw/zinc/82/97/82/1414829782.db2.gz NZPGOZCTRXNTTI-ZDUSSCGKSA-N 2 2 387.484 3.062 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123833947 1414831662 /nfs/dbraw/zinc/83/16/62/1414831662.db2.gz UYEOHJVQFXBKOB-HUUCEWRRSA-N 2 2 392.450 3.303 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123833947 1414831663 /nfs/dbraw/zinc/83/16/63/1414831663.db2.gz UYEOHJVQFXBKOB-HUUCEWRRSA-N 2 2 392.450 3.303 20 0 GGADLP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123841081 1414832945 /nfs/dbraw/zinc/83/29/45/1414832945.db2.gz LQVLBVAWOMOXSP-OAHLLOKOSA-N 2 2 390.915 3.284 20 0 GGADLP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123841081 1414832947 /nfs/dbraw/zinc/83/29/47/1414832947.db2.gz LQVLBVAWOMOXSP-OAHLLOKOSA-N 2 2 390.915 3.284 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C(C)C)cc1 ZINC000123855856 1414836115 /nfs/dbraw/zinc/83/61/15/1414836115.db2.gz AKMTYULQRPZQGN-WZONZLPQSA-N 2 2 398.551 3.197 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C(C)C)cc1 ZINC000123855856 1414836117 /nfs/dbraw/zinc/83/61/17/1414836117.db2.gz AKMTYULQRPZQGN-WZONZLPQSA-N 2 2 398.551 3.197 20 0 GGADLP CC[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123855951 1414836130 /nfs/dbraw/zinc/83/61/30/1414836130.db2.gz LROXEHLNQKWCLI-RTWAWAEBSA-N 2 2 398.551 3.192 20 0 GGADLP CC[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123855951 1414836135 /nfs/dbraw/zinc/83/61/35/1414836135.db2.gz LROXEHLNQKWCLI-RTWAWAEBSA-N 2 2 398.551 3.192 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)COc1ccc(C(F)(F)F)cc1 ZINC000124073735 1414880978 /nfs/dbraw/zinc/88/09/78/1414880978.db2.gz YIQQYQUOPGWMRX-GOSISDBHSA-N 2 2 391.393 3.421 20 0 GGADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000177738221 1428846422 /nfs/dbraw/zinc/84/64/22/1428846422.db2.gz KTYMCRNJOACIEK-NQIIRXRSSA-N 2 2 381.524 3.272 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000124239662 1414917600 /nfs/dbraw/zinc/91/76/00/1414917600.db2.gz NQVXYIDOZFIEGN-UHFFFAOYSA-N 2 2 378.476 3.423 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000124239662 1414917609 /nfs/dbraw/zinc/91/76/09/1414917609.db2.gz NQVXYIDOZFIEGN-UHFFFAOYSA-N 2 2 378.476 3.423 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124245475 1414919053 /nfs/dbraw/zinc/91/90/53/1414919053.db2.gz QSZOEEDMFRLKIF-GOSISDBHSA-N 2 2 390.487 3.463 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124245475 1414919059 /nfs/dbraw/zinc/91/90/59/1414919059.db2.gz QSZOEEDMFRLKIF-GOSISDBHSA-N 2 2 390.487 3.463 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2C(C)(C)C)CC1 ZINC000124328166 1414940586 /nfs/dbraw/zinc/94/05/86/1414940586.db2.gz FOOAXHHEQXHRGA-UHFFFAOYSA-N 2 2 384.568 3.429 20 0 GGADLP CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124525347 1414987203 /nfs/dbraw/zinc/98/72/03/1414987203.db2.gz PYOSGBNMIZUXOO-YADHBBJMSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124525347 1414987208 /nfs/dbraw/zinc/98/72/08/1414987208.db2.gz PYOSGBNMIZUXOO-YADHBBJMSA-N 2 2 387.568 3.495 20 0 GGADLP CN(C(=O)Cc1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124561971 1414994042 /nfs/dbraw/zinc/99/40/42/1414994042.db2.gz QGTPKYCBMGTPOH-SFTDATJTSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124561971 1414994045 /nfs/dbraw/zinc/99/40/45/1414994045.db2.gz QGTPKYCBMGTPOH-SFTDATJTSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)c1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124565229 1414995506 /nfs/dbraw/zinc/99/55/06/1414995506.db2.gz OTISGIVCDLJLLX-PMACEKPBSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124565229 1414995509 /nfs/dbraw/zinc/99/55/09/1414995509.db2.gz OTISGIVCDLJLLX-PMACEKPBSA-N 2 2 379.495 3.374 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177769414 1428854172 /nfs/dbraw/zinc/85/41/72/1428854172.db2.gz RIGHSDBBRIGTDI-UHFFFAOYSA-N 2 2 391.519 3.388 20 0 GGADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177769414 1428854176 /nfs/dbraw/zinc/85/41/76/1428854176.db2.gz RIGHSDBBRIGTDI-UHFFFAOYSA-N 2 2 391.519 3.388 20 0 GGADLP Cc1ncc(/C=C/C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124586855 1414999687 /nfs/dbraw/zinc/99/96/87/1414999687.db2.gz LHDDNUQAVWBNQR-FBWYZNFGSA-N 2 2 390.597 3.260 20 0 GGADLP Cc1ncc(/C=C/C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124586855 1414999690 /nfs/dbraw/zinc/99/96/90/1414999690.db2.gz LHDDNUQAVWBNQR-FBWYZNFGSA-N 2 2 390.597 3.260 20 0 GGADLP CC(=O)c1csc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124588359 1415000430 /nfs/dbraw/zinc/00/04/30/1415000430.db2.gz SMJWAFDTCMFVGX-OALUTQOASA-N 2 2 391.581 3.360 20 0 GGADLP CC(=O)c1csc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124588359 1415000437 /nfs/dbraw/zinc/00/04/37/1415000437.db2.gz SMJWAFDTCMFVGX-OALUTQOASA-N 2 2 391.581 3.360 20 0 GGADLP Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124596588 1415002161 /nfs/dbraw/zinc/00/21/61/1415002161.db2.gz DWNYXYXCRGIBSX-NHCUHLMSSA-N 2 2 390.572 3.020 20 0 GGADLP Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124596588 1415002168 /nfs/dbraw/zinc/00/21/68/1415002168.db2.gz DWNYXYXCRGIBSX-NHCUHLMSSA-N 2 2 390.572 3.020 20 0 GGADLP CCc1nc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124644008 1415011969 /nfs/dbraw/zinc/01/19/69/1415011969.db2.gz DQFSCMCPEFUGLL-MOPGFXCFSA-N 2 2 392.613 3.044 20 0 GGADLP CCc1nc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124644008 1415011974 /nfs/dbraw/zinc/01/19/74/1415011974.db2.gz DQFSCMCPEFUGLL-MOPGFXCFSA-N 2 2 392.613 3.044 20 0 GGADLP CCc1nc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124643532 1415012191 /nfs/dbraw/zinc/01/21/91/1415012191.db2.gz DQFSCMCPEFUGLL-OALUTQOASA-N 2 2 392.613 3.044 20 0 GGADLP CCc1nc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124643532 1415012197 /nfs/dbraw/zinc/01/21/97/1415012197.db2.gz DQFSCMCPEFUGLL-OALUTQOASA-N 2 2 392.613 3.044 20 0 GGADLP CN(C(=O)COc1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124661903 1415016013 /nfs/dbraw/zinc/01/60/13/1415016013.db2.gz IGEGZSOAERQLHI-UXHICEINSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)COc1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124661903 1415016019 /nfs/dbraw/zinc/01/60/19/1415016019.db2.gz IGEGZSOAERQLHI-UXHICEINSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124663240 1415016699 /nfs/dbraw/zinc/01/66/99/1415016699.db2.gz ALBCVUBDURWLMY-UXHICEINSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cc(F)ccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124663240 1415016706 /nfs/dbraw/zinc/01/67/06/1415016706.db2.gz ALBCVUBDURWLMY-UXHICEINSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124665352 1415017330 /nfs/dbraw/zinc/01/73/30/1415017330.db2.gz QWPKLQYTBVJCSQ-SFTDATJTSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124665352 1415017336 /nfs/dbraw/zinc/01/73/36/1415017336.db2.gz QWPKLQYTBVJCSQ-SFTDATJTSA-N 2 2 375.532 3.164 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000124681258 1415020321 /nfs/dbraw/zinc/02/03/21/1415020321.db2.gz UFCGTLUGADTOED-NRFANRHFSA-N 2 2 397.567 3.141 20 0 GGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000124681258 1415020328 /nfs/dbraw/zinc/02/03/28/1415020328.db2.gz UFCGTLUGADTOED-NRFANRHFSA-N 2 2 397.567 3.141 20 0 GGADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177777093 1428856079 /nfs/dbraw/zinc/85/60/79/1428856079.db2.gz ZBBLNRKGPALNDU-OAQYLSRUSA-N 2 2 391.519 3.388 20 0 GGADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177777093 1428856080 /nfs/dbraw/zinc/85/60/80/1428856080.db2.gz ZBBLNRKGPALNDU-OAQYLSRUSA-N 2 2 391.519 3.388 20 0 GGADLP CN(C(=O)NCc1ccn2cc[nH+]c2c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000177776145 1428856123 /nfs/dbraw/zinc/85/61/23/1428856123.db2.gz RHOLSDTVMRRDFI-UHFFFAOYSA-N 2 2 377.492 3.140 20 0 GGADLP CN(C(=O)c1cccc(Cl)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124698137 1415024196 /nfs/dbraw/zinc/02/41/96/1415024196.db2.gz WKRGOZSMYFQPEZ-ROUUACIJSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1cccc(Cl)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124698137 1415024199 /nfs/dbraw/zinc/02/41/99/1415024199.db2.gz WKRGOZSMYFQPEZ-ROUUACIJSA-N 2 2 378.948 3.144 20 0 GGADLP CCc1ncsc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124705556 1415025752 /nfs/dbraw/zinc/02/57/52/1415025752.db2.gz CGJMMHREAZYENH-ZWKOTPCHSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncsc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124705556 1415025757 /nfs/dbraw/zinc/02/57/57/1415025757.db2.gz CGJMMHREAZYENH-ZWKOTPCHSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncsc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124706090 1415026255 /nfs/dbraw/zinc/02/62/55/1415026255.db2.gz CGJMMHREAZYENH-QZTJIDSGSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncsc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124706090 1415026260 /nfs/dbraw/zinc/02/62/60/1415026260.db2.gz CGJMMHREAZYENH-QZTJIDSGSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124706347 1415026317 /nfs/dbraw/zinc/02/63/17/1415026317.db2.gz CGJMMHREAZYENH-MSOLQXFVSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124706347 1415026323 /nfs/dbraw/zinc/02/63/23/1415026323.db2.gz CGJMMHREAZYENH-MSOLQXFVSA-N 2 2 378.586 3.115 20 0 GGADLP COCc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124734873 1415032336 /nfs/dbraw/zinc/03/23/36/1415032336.db2.gz OFMPVTNHUFBOPX-YADHBBJMSA-N 2 2 387.568 3.242 20 0 GGADLP COCc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124734873 1415032341 /nfs/dbraw/zinc/03/23/41/1415032341.db2.gz OFMPVTNHUFBOPX-YADHBBJMSA-N 2 2 387.568 3.242 20 0 GGADLP CCOc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124781350 1415042765 /nfs/dbraw/zinc/04/27/65/1415042765.db2.gz HNTFXXWVONPEKF-YADHBBJMSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124781350 1415042768 /nfs/dbraw/zinc/04/27/68/1415042768.db2.gz HNTFXXWVONPEKF-YADHBBJMSA-N 2 2 387.568 3.495 20 0 GGADLP CN(C(=O)c1cccnc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124795584 1415046039 /nfs/dbraw/zinc/04/60/39/1415046039.db2.gz QYVUDTAVEZTXNK-MSOLQXFVSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1cccnc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124795584 1415046045 /nfs/dbraw/zinc/04/60/45/1415046045.db2.gz QYVUDTAVEZTXNK-MSOLQXFVSA-N 2 2 378.948 3.144 20 0 GGADLP C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000177799228 1428860938 /nfs/dbraw/zinc/86/09/38/1428860938.db2.gz IHCFJLXJLGYTKS-UGKGYDQZSA-N 2 2 395.551 3.388 20 0 GGADLP C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000177799256 1428860999 /nfs/dbraw/zinc/86/09/99/1428860999.db2.gz IHCFJLXJLGYTKS-SIKLNZKXSA-N 2 2 395.551 3.388 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124806835 1415048811 /nfs/dbraw/zinc/04/88/11/1415048811.db2.gz CQWQIQBJSRLYLX-SFTDATJTSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124806835 1415048817 /nfs/dbraw/zinc/04/88/17/1415048817.db2.gz CQWQIQBJSRLYLX-SFTDATJTSA-N 2 2 375.532 3.164 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000177805188 1428861948 /nfs/dbraw/zinc/86/19/48/1428861948.db2.gz UOQNJKBFMSVVJC-INIZCTEOSA-N 2 2 394.475 3.396 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000124864321 1415061587 /nfs/dbraw/zinc/06/15/87/1415061587.db2.gz UPTKHIVOMIRXHG-VXKWHMMOSA-N 2 2 387.568 3.413 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000124864321 1415061593 /nfs/dbraw/zinc/06/15/93/1415061593.db2.gz UPTKHIVOMIRXHG-VXKWHMMOSA-N 2 2 387.568 3.413 20 0 GGADLP CN(C(=O)c1ccnc(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124863593 1415061887 /nfs/dbraw/zinc/06/18/87/1415061887.db2.gz XPSSOQWFDGURCP-MSOLQXFVSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccnc(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124863593 1415061899 /nfs/dbraw/zinc/06/18/99/1415061899.db2.gz XPSSOQWFDGURCP-MSOLQXFVSA-N 2 2 378.948 3.144 20 0 GGADLP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)CC1 ZINC000124868288 1415062753 /nfs/dbraw/zinc/06/27/53/1415062753.db2.gz RCJWEOVCQDKXEZ-MRXNPFEDSA-N 2 2 378.442 3.470 20 0 GGADLP CCN1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4cc(C(F)(F)F)ccc43)C2)CC1 ZINC000124868288 1415062757 /nfs/dbraw/zinc/06/27/57/1415062757.db2.gz RCJWEOVCQDKXEZ-MRXNPFEDSA-N 2 2 378.442 3.470 20 0 GGADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000124877390 1415064981 /nfs/dbraw/zinc/06/49/81/1415064981.db2.gz BPAOAQGUOKJSIT-OALUTQOASA-N 2 2 390.597 3.213 20 0 GGADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000124877390 1415064987 /nfs/dbraw/zinc/06/49/87/1415064987.db2.gz BPAOAQGUOKJSIT-OALUTQOASA-N 2 2 390.597 3.213 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177783163 1428857570 /nfs/dbraw/zinc/85/75/70/1428857570.db2.gz CKICFNVJZRQZIB-GOSISDBHSA-N 2 2 377.492 3.140 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177783163 1428857572 /nfs/dbraw/zinc/85/75/72/1428857572.db2.gz CKICFNVJZRQZIB-GOSISDBHSA-N 2 2 377.492 3.140 20 0 GGADLP COc1ccc(OC)c([C@@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000125005225 1415090378 /nfs/dbraw/zinc/09/03/78/1415090378.db2.gz KAJZCGPHXTYZRJ-QFIPXVFZSA-N 2 2 399.535 3.062 20 0 GGADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000125290175 1415153721 /nfs/dbraw/zinc/15/37/21/1415153721.db2.gz JYOCYBODEPJJRB-QYZOEREBSA-N 2 2 388.556 3.149 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125339287 1415168611 /nfs/dbraw/zinc/16/86/11/1415168611.db2.gz QANOGZWZQBKFKB-RXVVDRJESA-N 2 2 379.508 3.031 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000125339287 1415168627 /nfs/dbraw/zinc/16/86/27/1415168627.db2.gz QANOGZWZQBKFKB-RXVVDRJESA-N 2 2 379.508 3.031 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000125349862 1415172627 /nfs/dbraw/zinc/17/26/27/1415172627.db2.gz WAGJCRKNULTPOV-LJQANCHMSA-N 2 2 395.551 3.068 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000125349862 1415172632 /nfs/dbraw/zinc/17/26/32/1415172632.db2.gz WAGJCRKNULTPOV-LJQANCHMSA-N 2 2 395.551 3.068 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125402273 1415188576 /nfs/dbraw/zinc/18/85/76/1415188576.db2.gz ZYXRQFQVRFOBBB-FXAWDEMLSA-N 2 2 397.498 3.170 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000125402273 1415188582 /nfs/dbraw/zinc/18/85/82/1415188582.db2.gz ZYXRQFQVRFOBBB-FXAWDEMLSA-N 2 2 397.498 3.170 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000125403040 1415188618 /nfs/dbraw/zinc/18/86/18/1415188618.db2.gz PRAOXFROKMJXBE-SFHVURJKSA-N 2 2 387.503 3.179 20 0 GGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000125403040 1415188623 /nfs/dbraw/zinc/18/86/23/1415188623.db2.gz PRAOXFROKMJXBE-SFHVURJKSA-N 2 2 387.503 3.179 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000177851144 1428873011 /nfs/dbraw/zinc/87/30/11/1428873011.db2.gz CTPKGPGXVADQFE-QAPCUYQASA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000177851144 1428873016 /nfs/dbraw/zinc/87/30/16/1428873016.db2.gz CTPKGPGXVADQFE-QAPCUYQASA-N 2 2 381.948 3.314 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000125560689 1415226842 /nfs/dbraw/zinc/22/68/42/1415226842.db2.gz TXVRWEVPHICKCN-IBGZPJMESA-N 2 2 398.551 3.389 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000125560689 1415226845 /nfs/dbraw/zinc/22/68/45/1415226845.db2.gz TXVRWEVPHICKCN-IBGZPJMESA-N 2 2 398.551 3.389 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC(C)C ZINC000125581189 1415230783 /nfs/dbraw/zinc/23/07/83/1415230783.db2.gz BKQGUFXXADQFHZ-YSIASYRMSA-N 2 2 376.545 3.042 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC(C)C ZINC000125581189 1415230789 /nfs/dbraw/zinc/23/07/89/1415230789.db2.gz BKQGUFXXADQFHZ-YSIASYRMSA-N 2 2 376.545 3.042 20 0 GGADLP Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000125670801 1415250881 /nfs/dbraw/zinc/25/08/81/1415250881.db2.gz FXKLMANBXCGQDD-WOJBJXKFSA-N 2 2 398.595 3.441 20 0 GGADLP c1c[nH]c([C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)n1 ZINC000125832670 1415292983 /nfs/dbraw/zinc/29/29/83/1415292983.db2.gz QSFUPEDIBKVYLA-HSZRJFAPSA-N 2 2 389.547 3.297 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177929312 1428893856 /nfs/dbraw/zinc/89/38/56/1428893856.db2.gz AERIWTOZGSKGFY-UHFFFAOYSA-N 2 2 377.492 3.107 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000126305146 1415412920 /nfs/dbraw/zinc/41/29/20/1415412920.db2.gz LHPSPELWFKMUPM-KRWDZBQOSA-N 3 2 379.508 3.367 20 0 GGADLP Cc1noc(-c2ccccc2)c1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000126310128 1415414945 /nfs/dbraw/zinc/41/49/45/1415414945.db2.gz OINSGKVZIDMBCR-UHFFFAOYSA-N 2 2 385.512 3.140 20 0 GGADLP Cc1noc(-c2ccccc2)c1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000126310128 1415414950 /nfs/dbraw/zinc/41/49/50/1415414950.db2.gz OINSGKVZIDMBCR-UHFFFAOYSA-N 2 2 385.512 3.140 20 0 GGADLP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc(OC)c1OC ZINC000126369252 1415428753 /nfs/dbraw/zinc/42/87/53/1415428753.db2.gz FZYLXEODRSFVSC-AWEZNQCLSA-N 2 2 382.464 3.452 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1C ZINC000126389483 1415434254 /nfs/dbraw/zinc/43/42/54/1415434254.db2.gz CNFWYUHRIPJCOK-FQEVSTJZSA-N 2 2 382.508 3.343 20 0 GGADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]CC3=CCCOC3)CC2)c1 ZINC000126436150 1415453085 /nfs/dbraw/zinc/45/30/85/1415453085.db2.gz JDDIMVKFTVCIQG-UHFFFAOYSA-N 2 2 383.458 3.154 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000126624187 1415509898 /nfs/dbraw/zinc/50/98/98/1415509898.db2.gz JXRRRPPDEPTVMA-VQTJNVASSA-N 2 2 390.959 3.054 20 0 GGADLP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000126656130 1415519034 /nfs/dbraw/zinc/51/90/34/1415519034.db2.gz VIAFVUXTEXKBTH-GOSISDBHSA-N 2 2 383.536 3.302 20 0 GGADLP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000126656130 1415519039 /nfs/dbraw/zinc/51/90/39/1415519039.db2.gz VIAFVUXTEXKBTH-GOSISDBHSA-N 2 2 383.536 3.302 20 0 GGADLP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)CCCO2 ZINC000126692754 1415528267 /nfs/dbraw/zinc/52/82/67/1415528267.db2.gz LMYSXKKUEJJISW-QFIPXVFZSA-N 2 2 389.584 3.003 20 0 GGADLP c1csc(-c2n[nH]cc2C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000126750463 1415547364 /nfs/dbraw/zinc/54/73/64/1415547364.db2.gz NBTSAPQLQBSRPS-UHFFFAOYSA-N 2 2 398.532 3.139 20 0 GGADLP O=C(Cc1cccc(F)c1)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000178039716 1428951593 /nfs/dbraw/zinc/95/15/93/1428951593.db2.gz COFLZUDEGARCOF-UHFFFAOYSA-N 2 2 392.478 3.288 20 0 GGADLP O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000178039716 1428951596 /nfs/dbraw/zinc/95/15/96/1428951596.db2.gz COFLZUDEGARCOF-UHFFFAOYSA-N 2 2 392.478 3.288 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000127196483 1415683628 /nfs/dbraw/zinc/68/36/28/1415683628.db2.gz IMPVLMSQKKVXCI-IBGZPJMESA-N 2 2 381.524 3.190 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000127196483 1415683631 /nfs/dbraw/zinc/68/36/31/1415683631.db2.gz IMPVLMSQKKVXCI-IBGZPJMESA-N 2 2 381.524 3.190 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000127284638 1415719479 /nfs/dbraw/zinc/71/94/79/1415719479.db2.gz KPULDUPNMXLABQ-UHFFFAOYSA-N 2 2 382.430 3.298 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2C)cc1F ZINC000127554129 1415809029 /nfs/dbraw/zinc/80/90/29/1415809029.db2.gz LLDQOSRKHRZXCD-UHFFFAOYSA-N 2 2 390.422 3.139 20 0 GGADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000127810716 1415854870 /nfs/dbraw/zinc/85/48/70/1415854870.db2.gz NTWZONXJLWXMOZ-NQIIRXRSSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000127811161 1415855273 /nfs/dbraw/zinc/85/52/73/1415855273.db2.gz NTWZONXJLWXMOZ-WIYYLYMNSA-N 2 2 381.524 3.140 20 0 GGADLP COc1cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000127938184 1415878730 /nfs/dbraw/zinc/87/87/30/1415878730.db2.gz HBKKYCDYRUWSLM-OALUTQOASA-N 2 2 399.535 3.258 20 0 GGADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000178199983 1429016049 /nfs/dbraw/zinc/01/60/49/1429016049.db2.gz IWEYCVDVKACSAD-HOTGVXAUSA-N 2 2 384.505 3.192 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[NH+]2CCCC2)cc1 ZINC000128150683 1415926078 /nfs/dbraw/zinc/92/60/78/1415926078.db2.gz WAXJQIMQKMDGMD-RTWAWAEBSA-N 2 2 393.535 3.105 20 0 GGADLP CC1(C)C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000178248976 1429032101 /nfs/dbraw/zinc/03/21/01/1429032101.db2.gz NZCUYCSWEPTOKT-HXUWFJFHSA-N 2 2 378.520 3.133 20 0 GGADLP O=C(NCCC[NH+]1CCCCC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178274260 1429039882 /nfs/dbraw/zinc/03/98/82/1429039882.db2.gz ODRSCRYEQDPBBE-LEWJYISDSA-N 2 2 381.524 3.287 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1Cl ZINC000128689057 1416043524 /nfs/dbraw/zinc/04/35/24/1416043524.db2.gz SVCWVVAGQQVAKQ-OAHLLOKOSA-N 2 2 390.890 3.264 20 0 GGADLP O=C(CC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000128706548 1416047673 /nfs/dbraw/zinc/04/76/73/1416047673.db2.gz YSWNVSWSVQZBAW-NHCUHLMSSA-N 2 2 378.520 3.046 20 0 GGADLP C[N@H+](CCNC(=O)C1CC[NH+](C/C(Cl)=C/Cl)CC1)Cc1ccccc1 ZINC000128759829 1416060913 /nfs/dbraw/zinc/06/09/13/1416060913.db2.gz FUGMYCJDFFFOSN-AQTBWJFISA-N 2 2 384.351 3.266 20 0 GGADLP O=C(CC[NH2+][C@H]1CCCCc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000128784726 1416068647 /nfs/dbraw/zinc/06/86/47/1416068647.db2.gz LAGDURBADVUXHF-NRFANRHFSA-N 2 2 378.520 3.178 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129376429 1416199270 /nfs/dbraw/zinc/19/92/70/1416199270.db2.gz VUUYFKUCDFKQMH-RXVVDRJESA-N 2 2 384.524 3.007 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129376429 1416199276 /nfs/dbraw/zinc/19/92/76/1416199276.db2.gz VUUYFKUCDFKQMH-RXVVDRJESA-N 2 2 384.524 3.007 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129556731 1416227794 /nfs/dbraw/zinc/22/77/94/1416227794.db2.gz SHFIDKCTAHGNOE-GHTZIAJQSA-N 2 2 384.524 3.009 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129556731 1416227798 /nfs/dbraw/zinc/22/77/98/1416227798.db2.gz SHFIDKCTAHGNOE-GHTZIAJQSA-N 2 2 384.524 3.009 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000129614127 1416237327 /nfs/dbraw/zinc/23/73/27/1416237327.db2.gz UGKULQIACFYVAQ-WMZOPIPTSA-N 2 2 396.491 3.446 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000129614127 1416237331 /nfs/dbraw/zinc/23/73/31/1416237331.db2.gz UGKULQIACFYVAQ-WMZOPIPTSA-N 2 2 396.491 3.446 20 0 GGADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129628450 1416239735 /nfs/dbraw/zinc/23/97/35/1416239735.db2.gz MSJJPWQQCWZOBD-NQIIRXRSSA-N 2 2 384.524 3.085 20 0 GGADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129628450 1416239739 /nfs/dbraw/zinc/23/97/39/1416239739.db2.gz MSJJPWQQCWZOBD-NQIIRXRSSA-N 2 2 384.524 3.085 20 0 GGADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000130128851 1416323728 /nfs/dbraw/zinc/32/37/28/1416323728.db2.gz LLBXHAQXCCJHMQ-NRFANRHFSA-N 2 2 398.507 3.487 20 0 GGADLP CN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000130375941 1416367354 /nfs/dbraw/zinc/36/73/54/1416367354.db2.gz ORNRFFNUGOHAJG-UHFFFAOYSA-N 2 2 376.504 3.453 20 0 GGADLP CN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1)C(c1ccccc1)c1ccccc1 ZINC000130375941 1416367358 /nfs/dbraw/zinc/36/73/58/1416367358.db2.gz ORNRFFNUGOHAJG-UHFFFAOYSA-N 2 2 376.504 3.453 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130499769 1416389032 /nfs/dbraw/zinc/38/90/32/1416389032.db2.gz WVEURYIEUDFGLU-SFHVURJKSA-N 3 2 390.535 3.178 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(Cl)c2cccnc12)C[N@@H+]1CCc2ccccc2C1 ZINC000130511362 1416391006 /nfs/dbraw/zinc/39/10/06/1416391006.db2.gz HKDUEABVQMJDLL-LJQANCHMSA-N 2 2 381.907 3.397 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(Cl)c2cccnc12)C[N@H+]1CCc2ccccc2C1 ZINC000130511362 1416391011 /nfs/dbraw/zinc/39/10/11/1416391011.db2.gz HKDUEABVQMJDLL-LJQANCHMSA-N 2 2 381.907 3.397 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1OC(F)F ZINC000130532211 1416394486 /nfs/dbraw/zinc/39/44/86/1416394486.db2.gz ZNCOLLVLJZOCFB-CQSZACIVSA-N 2 2 394.441 3.425 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000130567496 1416400466 /nfs/dbraw/zinc/40/04/66/1416400466.db2.gz LJCYBLMVUFAOED-SFHVURJKSA-N 2 2 395.463 3.077 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 ZINC000130567496 1416400469 /nfs/dbraw/zinc/40/04/69/1416400469.db2.gz LJCYBLMVUFAOED-SFHVURJKSA-N 2 2 395.463 3.077 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC000130662781 1416420283 /nfs/dbraw/zinc/42/02/83/1416420283.db2.gz AECHPGJJMABOET-UHFFFAOYSA-N 2 2 383.521 3.351 20 0 GGADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2csc(C(C)(C)C)n2)CC1 ZINC000130665291 1416420614 /nfs/dbraw/zinc/42/06/14/1416420614.db2.gz NVGAKAMVAHYPAK-UHFFFAOYSA-N 2 2 394.629 3.357 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000130854651 1416468746 /nfs/dbraw/zinc/46/87/46/1416468746.db2.gz KMLXUKHUYWBNQD-LBPRGKRZSA-N 2 2 375.473 3.289 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000130854651 1416468752 /nfs/dbraw/zinc/46/87/52/1416468752.db2.gz KMLXUKHUYWBNQD-LBPRGKRZSA-N 2 2 375.473 3.289 20 0 GGADLP COCC[N@H+](C)CCCC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000131121088 1416512043 /nfs/dbraw/zinc/51/20/43/1416512043.db2.gz SCKBKZLYOQVGRL-UHFFFAOYSA-N 2 2 384.524 3.083 20 0 GGADLP COCC[N@@H+](C)CCCC1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000131121088 1416512045 /nfs/dbraw/zinc/51/20/45/1416512045.db2.gz SCKBKZLYOQVGRL-UHFFFAOYSA-N 2 2 384.524 3.083 20 0 GGADLP COc1ccc(-c2noc([C@@H](C)[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000131242638 1416528854 /nfs/dbraw/zinc/52/88/54/1416528854.db2.gz WCMPYUVFRGTTGA-HZPDHXFCSA-N 2 2 381.480 3.494 20 0 GGADLP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000131242638 1416528855 /nfs/dbraw/zinc/52/88/55/1416528855.db2.gz WCMPYUVFRGTTGA-HZPDHXFCSA-N 2 2 381.480 3.494 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000131265242 1416531830 /nfs/dbraw/zinc/53/18/30/1416531830.db2.gz YQOXOXULUNMCMY-LJQANCHMSA-N 2 2 393.539 3.199 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000131265242 1416531832 /nfs/dbraw/zinc/53/18/32/1416531832.db2.gz YQOXOXULUNMCMY-LJQANCHMSA-N 2 2 393.539 3.199 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000131265932 1416532240 /nfs/dbraw/zinc/53/22/40/1416532240.db2.gz KGNKOXWAGAOLTI-RDJZCZTQSA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000131265932 1416532242 /nfs/dbraw/zinc/53/22/42/1416532242.db2.gz KGNKOXWAGAOLTI-RDJZCZTQSA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000131296451 1416536523 /nfs/dbraw/zinc/53/65/23/1416536523.db2.gz WXDQDWQIKNPWJO-ZBFHGGJFSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000131296451 1416536526 /nfs/dbraw/zinc/53/65/26/1416536526.db2.gz WXDQDWQIKNPWJO-ZBFHGGJFSA-N 2 2 398.334 3.421 20 0 GGADLP Cc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)sc2c1 ZINC000131333276 1416541589 /nfs/dbraw/zinc/54/15/89/1416541589.db2.gz YBBMHOZNEMVEPC-HNNXBMFYSA-N 2 2 383.521 3.231 20 0 GGADLP Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)sc2c1 ZINC000131333276 1416541593 /nfs/dbraw/zinc/54/15/93/1416541593.db2.gz YBBMHOZNEMVEPC-HNNXBMFYSA-N 2 2 383.521 3.231 20 0 GGADLP Cc1ccc(F)c(N2CCC[C@H]([N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)C2=O)c1 ZINC000131339506 1416542300 /nfs/dbraw/zinc/54/23/00/1416542300.db2.gz VEUJQCTUERONMJ-MJGOQNOKSA-N 2 2 384.499 3.318 20 0 GGADLP Cc1ccc(F)c(N2CCC[C@H]([N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)C2=O)c1 ZINC000131339506 1416542305 /nfs/dbraw/zinc/54/23/05/1416542305.db2.gz VEUJQCTUERONMJ-MJGOQNOKSA-N 2 2 384.499 3.318 20 0 GGADLP Cc1ccc(F)c(N2CCC[C@@H]([N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)C2=O)c1 ZINC000131339665 1416542398 /nfs/dbraw/zinc/54/23/98/1416542398.db2.gz VEUJQCTUERONMJ-IEBWSBKVSA-N 2 2 384.499 3.318 20 0 GGADLP Cc1ccc(F)c(N2CCC[C@@H]([N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)C2=O)c1 ZINC000131339665 1416542401 /nfs/dbraw/zinc/54/24/01/1416542401.db2.gz VEUJQCTUERONMJ-IEBWSBKVSA-N 2 2 384.499 3.318 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000131360356 1416545104 /nfs/dbraw/zinc/54/51/04/1416545104.db2.gz ZNIMYNAQALHKHH-ZBFHGGJFSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000131360356 1416545106 /nfs/dbraw/zinc/54/51/06/1416545106.db2.gz ZNIMYNAQALHKHH-ZBFHGGJFSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000131382460 1416548494 /nfs/dbraw/zinc/54/84/94/1416548494.db2.gz JRFFORXZSFZWTM-QUCCMNQESA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000131382460 1416548498 /nfs/dbraw/zinc/54/84/98/1416548498.db2.gz JRFFORXZSFZWTM-QUCCMNQESA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131386134 1416548898 /nfs/dbraw/zinc/54/88/98/1416548898.db2.gz ATPNOQMBWBWZBL-QZTJIDSGSA-N 2 2 376.545 3.322 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131386134 1416548903 /nfs/dbraw/zinc/54/89/03/1416548903.db2.gz ATPNOQMBWBWZBL-QZTJIDSGSA-N 2 2 376.545 3.322 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131386327 1416549391 /nfs/dbraw/zinc/54/93/91/1416549391.db2.gz ATPNOQMBWBWZBL-MSOLQXFVSA-N 2 2 376.545 3.322 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000131386327 1416549393 /nfs/dbraw/zinc/54/93/93/1416549393.db2.gz ATPNOQMBWBWZBL-MSOLQXFVSA-N 2 2 376.545 3.322 20 0 GGADLP CC(C)(C)c1cccc(OCCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131457145 1416560769 /nfs/dbraw/zinc/56/07/69/1416560769.db2.gz UGWKJEITYSAGGT-OAQYLSRUSA-N 2 2 387.568 3.167 20 0 GGADLP CC(C)(C)c1cccc(OCCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC000131457145 1416560770 /nfs/dbraw/zinc/56/07/70/1416560770.db2.gz UGWKJEITYSAGGT-OAQYLSRUSA-N 2 2 387.568 3.167 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000131635512 1416587605 /nfs/dbraw/zinc/58/76/05/1416587605.db2.gz CXFIXAHZBIWHTO-QFBILLFUSA-N 2 2 382.508 3.169 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000131635512 1416587608 /nfs/dbraw/zinc/58/76/08/1416587608.db2.gz CXFIXAHZBIWHTO-QFBILLFUSA-N 2 2 382.508 3.169 20 0 GGADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000131964482 1416661181 /nfs/dbraw/zinc/66/11/81/1416661181.db2.gz IUKJNQYRGLZMKP-OAQYLSRUSA-N 2 2 383.540 3.241 20 0 GGADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000131964482 1416661182 /nfs/dbraw/zinc/66/11/82/1416661182.db2.gz IUKJNQYRGLZMKP-OAQYLSRUSA-N 2 2 383.540 3.241 20 0 GGADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000132004844 1416671458 /nfs/dbraw/zinc/67/14/58/1416671458.db2.gz SOVDZVCQSZVVMS-OAQYLSRUSA-N 2 2 383.540 3.241 20 0 GGADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000132004844 1416671466 /nfs/dbraw/zinc/67/14/66/1416671466.db2.gz SOVDZVCQSZVVMS-OAQYLSRUSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132277765 1416727572 /nfs/dbraw/zinc/72/75/72/1416727572.db2.gz PFQUHPLQAQUUCM-OFNKIYASSA-N 2 2 389.547 3.369 20 0 GGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000132486369 1416771459 /nfs/dbraw/zinc/77/14/59/1416771459.db2.gz PRWUUDHQIOZTAU-MJGOQNOKSA-N 2 2 381.524 3.089 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000132705999 1416806095 /nfs/dbraw/zinc/80/60/95/1416806095.db2.gz QRQLSLULKRSMSE-IBGZPJMESA-N 2 2 389.931 3.405 20 0 GGADLP CC1CC[NH+](CCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000132784084 1416814801 /nfs/dbraw/zinc/81/48/01/1416814801.db2.gz GCFRKJLBVKTSAE-RTWAWAEBSA-N 2 2 381.524 3.143 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000133014732 1416842246 /nfs/dbraw/zinc/84/22/46/1416842246.db2.gz HOAGKTSCHACFSR-RTBURBONSA-N 2 2 387.568 3.222 20 0 GGADLP COC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133018900 1416842591 /nfs/dbraw/zinc/84/25/91/1416842591.db2.gz UYAAJQMSSXYNMB-HNAYVOBHSA-N 2 2 386.458 3.483 20 0 GGADLP Fc1c(Cl)cccc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000133329459 1416879246 /nfs/dbraw/zinc/87/92/46/1416879246.db2.gz UOFXGXSQQJRFOB-UHFFFAOYSA-N 2 2 378.875 3.480 20 0 GGADLP O=C1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1c1c(F)cccc1F ZINC000133340201 1416880508 /nfs/dbraw/zinc/88/05/08/1416880508.db2.gz ZAFXCBSGXCLMEU-IBGZPJMESA-N 2 2 399.485 3.367 20 0 GGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]1c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000133453367 1416891313 /nfs/dbraw/zinc/89/13/13/1416891313.db2.gz USMJDTUPWIUVIH-TYPHKJRUSA-N 2 2 378.520 3.045 20 0 GGADLP COc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000133468130 1416892964 /nfs/dbraw/zinc/89/29/64/1416892964.db2.gz DWBLYMICUHWUOY-JOCHJYFZSA-N 2 2 394.563 3.167 20 0 GGADLP COc1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000133468130 1416892965 /nfs/dbraw/zinc/89/29/65/1416892965.db2.gz DWBLYMICUHWUOY-JOCHJYFZSA-N 2 2 394.563 3.167 20 0 GGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 ZINC000133730768 1416952829 /nfs/dbraw/zinc/95/28/29/1416952829.db2.gz YQDBHXCYIRXFGV-UHFFFAOYSA-N 2 2 386.492 3.324 20 0 GGADLP CCOc1cc(Cl)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000133773377 1416960591 /nfs/dbraw/zinc/96/05/91/1416960591.db2.gz JVCYFAWQGYMSET-UHFFFAOYSA-N 2 2 382.936 3.228 20 0 GGADLP CCOc1cc(Cl)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000133773377 1416960593 /nfs/dbraw/zinc/96/05/93/1416960593.db2.gz JVCYFAWQGYMSET-UHFFFAOYSA-N 2 2 382.936 3.228 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000133902578 1416991593 /nfs/dbraw/zinc/99/15/93/1416991593.db2.gz ISAHOVKNLSXHTJ-OAQYLSRUSA-N 2 2 384.499 3.086 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1F ZINC000133902578 1416991599 /nfs/dbraw/zinc/99/15/99/1416991599.db2.gz ISAHOVKNLSXHTJ-OAQYLSRUSA-N 2 2 384.499 3.086 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cc3)cn2)CC1 ZINC000134242279 1417043004 /nfs/dbraw/zinc/04/30/04/1417043004.db2.gz XJBOOVNPIRDIBO-QFIPXVFZSA-N 2 2 391.494 3.247 20 0 GGADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1nc(-c2ccccc2)cs1 ZINC000134299544 1417052186 /nfs/dbraw/zinc/05/21/86/1417052186.db2.gz YGYTVMUPJFRXSL-INIZCTEOSA-N 2 2 394.548 3.203 20 0 GGADLP Cc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c(OC(C)(C)C)c1 ZINC000134400228 1417065056 /nfs/dbraw/zinc/06/50/56/1417065056.db2.gz OLHBPKYWFGLJOA-UHFFFAOYSA-N 2 2 383.540 3.004 20 0 GGADLP CN1CCO[C@@H]([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccc(Cl)cc2)C1 ZINC000134691982 1417113025 /nfs/dbraw/zinc/11/30/25/1417113025.db2.gz RLLOKKJYZIZMFZ-TZIWHRDSSA-N 2 2 388.943 3.077 20 0 GGADLP C[N@@H+]1CCO[C@H]([C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)c2ccc(Cl)cc2)C1 ZINC000134738474 1417118623 /nfs/dbraw/zinc/11/86/23/1417118623.db2.gz WJUBGJZBAPFOEL-HLAWJBBLSA-N 2 2 377.960 3.318 20 0 GGADLP C[N@H+]1CCO[C@H]([C@H](N[C@@H]2CC[NH+](C3CCCC3)C2)c2ccc(Cl)cc2)C1 ZINC000134738474 1417118631 /nfs/dbraw/zinc/11/86/31/1417118631.db2.gz WJUBGJZBAPFOEL-HLAWJBBLSA-N 2 2 377.960 3.318 20 0 GGADLP C[NH+]1CCO[C@H]([C@H](N[C@@H]2CC[N@@H+](C3CCCC3)C2)c2ccc(Cl)cc2)C1 ZINC000134738474 1417118637 /nfs/dbraw/zinc/11/86/37/1417118637.db2.gz WJUBGJZBAPFOEL-HLAWJBBLSA-N 2 2 377.960 3.318 20 0 GGADLP C[NH+]1CCO[C@H]([C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)c2ccc(Cl)cc2)C1 ZINC000134738474 1417118642 /nfs/dbraw/zinc/11/86/42/1417118642.db2.gz WJUBGJZBAPFOEL-HLAWJBBLSA-N 2 2 377.960 3.318 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134867324 1417136246 /nfs/dbraw/zinc/13/62/46/1417136246.db2.gz BKNKEWBIGMYYQJ-QLVMHMETSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134867324 1417136252 /nfs/dbraw/zinc/13/62/52/1417136252.db2.gz BKNKEWBIGMYYQJ-QLVMHMETSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134867324 1417136256 /nfs/dbraw/zinc/13/62/56/1417136256.db2.gz BKNKEWBIGMYYQJ-QLVMHMETSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134867324 1417136260 /nfs/dbraw/zinc/13/62/60/1417136260.db2.gz BKNKEWBIGMYYQJ-QLVMHMETSA-N 2 2 391.506 3.433 20 0 GGADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134867190 1417136596 /nfs/dbraw/zinc/13/65/96/1417136596.db2.gz OENQMJRZBRNTRW-DENIHFKCSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134867190 1417136599 /nfs/dbraw/zinc/13/65/99/1417136599.db2.gz OENQMJRZBRNTRW-DENIHFKCSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134867190 1417136601 /nfs/dbraw/zinc/13/66/01/1417136601.db2.gz OENQMJRZBRNTRW-DENIHFKCSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134867190 1417136604 /nfs/dbraw/zinc/13/66/04/1417136604.db2.gz OENQMJRZBRNTRW-DENIHFKCSA-N 2 2 385.552 3.040 20 0 GGADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134904048 1417142383 /nfs/dbraw/zinc/14/23/83/1417142383.db2.gz SDANBPULHZFYJX-WAOWUJCRSA-N 2 2 385.552 3.163 20 0 GGADLP COc1ccccc1[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134904048 1417142385 /nfs/dbraw/zinc/14/23/85/1417142385.db2.gz SDANBPULHZFYJX-WAOWUJCRSA-N 2 2 385.552 3.163 20 0 GGADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134904048 1417142389 /nfs/dbraw/zinc/14/23/89/1417142389.db2.gz SDANBPULHZFYJX-WAOWUJCRSA-N 2 2 385.552 3.163 20 0 GGADLP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134904048 1417142394 /nfs/dbraw/zinc/14/23/94/1417142394.db2.gz SDANBPULHZFYJX-WAOWUJCRSA-N 2 2 385.552 3.163 20 0 GGADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134903900 1417142496 /nfs/dbraw/zinc/14/24/96/1417142496.db2.gz UWLAQCSMAHWHLI-OFNKIYASSA-N 2 2 399.579 3.081 20 0 GGADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134903900 1417142502 /nfs/dbraw/zinc/14/25/02/1417142502.db2.gz UWLAQCSMAHWHLI-OFNKIYASSA-N 2 2 399.579 3.081 20 0 GGADLP CC(C)Oc1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134903900 1417142510 /nfs/dbraw/zinc/14/25/10/1417142510.db2.gz UWLAQCSMAHWHLI-OFNKIYASSA-N 2 2 399.579 3.081 20 0 GGADLP CC(C)Oc1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134903900 1417142515 /nfs/dbraw/zinc/14/25/15/1417142515.db2.gz UWLAQCSMAHWHLI-OFNKIYASSA-N 2 2 399.579 3.081 20 0 GGADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCCc2ccccc21 ZINC000134909923 1417143119 /nfs/dbraw/zinc/14/31/19/1417143119.db2.gz UOGMSXIWDVJPLY-UEVCKROQSA-N 2 2 381.564 3.471 20 0 GGADLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCCc2ccccc21 ZINC000134909923 1417143122 /nfs/dbraw/zinc/14/31/22/1417143122.db2.gz UOGMSXIWDVJPLY-UEVCKROQSA-N 2 2 381.564 3.471 20 0 GGADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@@H]1CCCc2ccccc21 ZINC000134909923 1417143128 /nfs/dbraw/zinc/14/31/28/1417143128.db2.gz UOGMSXIWDVJPLY-UEVCKROQSA-N 2 2 381.564 3.471 20 0 GGADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]1CCCc2ccccc21 ZINC000134909923 1417143131 /nfs/dbraw/zinc/14/31/31/1417143131.db2.gz UOGMSXIWDVJPLY-UEVCKROQSA-N 2 2 381.564 3.471 20 0 GGADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134925391 1417146652 /nfs/dbraw/zinc/14/66/52/1417146652.db2.gz SZAAKLFOPIFQAB-DENIHFKCSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134925391 1417146659 /nfs/dbraw/zinc/14/66/59/1417146659.db2.gz SZAAKLFOPIFQAB-DENIHFKCSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134925391 1417146662 /nfs/dbraw/zinc/14/66/62/1417146662.db2.gz SZAAKLFOPIFQAB-DENIHFKCSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134925391 1417146667 /nfs/dbraw/zinc/14/66/67/1417146667.db2.gz SZAAKLFOPIFQAB-DENIHFKCSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945454 1417149601 /nfs/dbraw/zinc/14/96/01/1417149601.db2.gz WSXHHAKUPLUQJM-OFNKIYASSA-N 2 2 399.579 3.178 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945454 1417149603 /nfs/dbraw/zinc/14/96/03/1417149603.db2.gz WSXHHAKUPLUQJM-OFNKIYASSA-N 2 2 399.579 3.178 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134945454 1417149607 /nfs/dbraw/zinc/14/96/07/1417149607.db2.gz WSXHHAKUPLUQJM-OFNKIYASSA-N 2 2 399.579 3.178 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134945454 1417149615 /nfs/dbraw/zinc/14/96/15/1417149615.db2.gz WSXHHAKUPLUQJM-OFNKIYASSA-N 2 2 399.579 3.178 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cncc(-c4ccccc4)c3)CC2)CC1 ZINC000135196945 1417186086 /nfs/dbraw/zinc/18/60/86/1417186086.db2.gz UUNPBUWNBMEYKE-UHFFFAOYSA-N 2 2 378.520 3.037 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1F ZINC000135216884 1417190274 /nfs/dbraw/zinc/19/02/74/1417190274.db2.gz JLNDWXDZSZTMFL-UHFFFAOYSA-N 2 2 399.445 3.212 20 0 GGADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCn3c[nH+]cc3C2)cc1 ZINC000135942594 1417280152 /nfs/dbraw/zinc/28/01/52/1417280152.db2.gz HGWMASZJYCJQFI-FQEVSTJZSA-N 2 2 388.515 3.491 20 0 GGADLP Cc1ccc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)o1 ZINC000135949203 1417280898 /nfs/dbraw/zinc/28/08/98/1417280898.db2.gz ZTQYTRRNBNTMIW-JOCHJYFZSA-N 2 2 383.536 3.216 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@@H](c4ccccc4)C(C)(C)C3)CC2)CC1 ZINC000136183914 1417299515 /nfs/dbraw/zinc/29/95/15/1417299515.db2.gz KLDWWFOADYFXSN-QFIPXVFZSA-N 2 2 398.595 3.380 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000136185137 1417299684 /nfs/dbraw/zinc/29/96/84/1417299684.db2.gz YYTYYSOTYZWCBB-PZJWPPBQSA-N 2 2 395.551 3.221 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000136314201 1417308792 /nfs/dbraw/zinc/30/87/92/1417308792.db2.gz BGBLDCPEFPBOFZ-UHFFFAOYSA-N 2 2 377.554 3.285 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CCS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000136314201 1417308797 /nfs/dbraw/zinc/30/87/97/1417308797.db2.gz BGBLDCPEFPBOFZ-UHFFFAOYSA-N 2 2 377.554 3.285 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000136375928 1417312584 /nfs/dbraw/zinc/31/25/84/1417312584.db2.gz WKQGYDJPOVFYCV-TZIWHRDSSA-N 2 2 397.567 3.467 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000136574877 1417327851 /nfs/dbraw/zinc/32/78/51/1417327851.db2.gz OTHFKGLAVBJFHD-OAQYLSRUSA-N 2 2 397.567 3.426 20 0 GGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000136574065 1417327960 /nfs/dbraw/zinc/32/79/60/1417327960.db2.gz PVGNNNJVHRIDLT-FCHUYYIVSA-N 2 2 375.532 3.283 20 0 GGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000136574018 1417327977 /nfs/dbraw/zinc/32/79/77/1417327977.db2.gz PVGNNNJVHRIDLT-FGZHOGPDSA-N 2 2 375.532 3.283 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000136577482 1417328770 /nfs/dbraw/zinc/32/87/70/1417328770.db2.gz RWSRXGULORVUHY-MSOLQXFVSA-N 2 2 397.357 3.315 20 0 GGADLP CCC(CC)[C@@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[NH+]1CCCC1 ZINC000136688400 1417338352 /nfs/dbraw/zinc/33/83/52/1417338352.db2.gz JOCMJPFVMGQCHR-AZUAARDMSA-N 2 2 389.588 3.285 20 0 GGADLP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[NH+]1CCCC1 ZINC000136688441 1417339164 /nfs/dbraw/zinc/33/91/64/1417339164.db2.gz JOCMJPFVMGQCHR-ICSRJNTNSA-N 2 2 389.588 3.285 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)CC(C)C ZINC000136698382 1417339608 /nfs/dbraw/zinc/33/96/08/1417339608.db2.gz XLRTUMNHOJOXHY-OALUTQOASA-N 2 2 377.577 3.141 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136749417 1417343206 /nfs/dbraw/zinc/34/32/06/1417343206.db2.gz CORKCBAUWAWWIS-IBGZPJMESA-N 2 2 397.567 3.425 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136749417 1417343211 /nfs/dbraw/zinc/34/32/11/1417343211.db2.gz CORKCBAUWAWWIS-IBGZPJMESA-N 2 2 397.567 3.425 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000136782975 1417345787 /nfs/dbraw/zinc/34/57/87/1417345787.db2.gz XJIZHMJCVLUFPL-UHFFFAOYSA-N 2 2 381.524 3.091 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000136863272 1417351542 /nfs/dbraw/zinc/35/15/42/1417351542.db2.gz JNUNNDBRAYFHCB-VAMGGRTRSA-N 2 2 389.588 3.142 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000136986777 1417360053 /nfs/dbraw/zinc/36/00/53/1417360053.db2.gz LHQNMFBIKNZBNB-RTWAWAEBSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000136986777 1417360060 /nfs/dbraw/zinc/36/00/60/1417360060.db2.gz LHQNMFBIKNZBNB-RTWAWAEBSA-N 2 2 395.551 3.049 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000137114933 1417368743 /nfs/dbraw/zinc/36/87/43/1417368743.db2.gz GQSPJBFVHFAYES-LJQANCHMSA-N 2 2 383.540 3.489 20 0 GGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000137114933 1417368748 /nfs/dbraw/zinc/36/87/48/1417368748.db2.gz GQSPJBFVHFAYES-LJQANCHMSA-N 2 2 383.540 3.489 20 0 GGADLP CC(C)n1nccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178813821 1429179708 /nfs/dbraw/zinc/17/97/08/1429179708.db2.gz QGOWXFKYJYVZDO-RBUKOAKNSA-N 2 2 390.576 3.265 20 0 GGADLP CC(C)n1nccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178813821 1429179715 /nfs/dbraw/zinc/17/97/15/1429179715.db2.gz QGOWXFKYJYVZDO-RBUKOAKNSA-N 2 2 390.576 3.265 20 0 GGADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000138218310 1417407705 /nfs/dbraw/zinc/40/77/05/1417407705.db2.gz OFJJOJXOXTYWMD-MRXNPFEDSA-N 2 2 396.466 3.448 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[NH+]2CCCC2)o1 ZINC000138367339 1417411990 /nfs/dbraw/zinc/41/19/90/1417411990.db2.gz DMUJCOCMFZEJBU-OALUTQOASA-N 2 2 399.539 3.123 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[NH+]2CCCC2)o1 ZINC000138367132 1417412352 /nfs/dbraw/zinc/41/23/52/1417412352.db2.gz DMUJCOCMFZEJBU-MOPGFXCFSA-N 2 2 399.539 3.123 20 0 GGADLP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C1 ZINC000138685031 1417434727 /nfs/dbraw/zinc/43/47/27/1417434727.db2.gz PXGHWKGZQDIIMI-HOTGVXAUSA-N 2 2 379.574 3.228 20 0 GGADLP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C1 ZINC000138685031 1417434740 /nfs/dbraw/zinc/43/47/40/1417434740.db2.gz PXGHWKGZQDIIMI-HOTGVXAUSA-N 2 2 379.574 3.228 20 0 GGADLP CCC[NH+]1CC[C@@H](CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000138685031 1417434760 /nfs/dbraw/zinc/43/47/60/1417434760.db2.gz PXGHWKGZQDIIMI-HOTGVXAUSA-N 2 2 379.574 3.228 20 0 GGADLP CCC[NH+]1CC[C@@H](CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000138685031 1417434774 /nfs/dbraw/zinc/43/47/74/1417434774.db2.gz PXGHWKGZQDIIMI-HOTGVXAUSA-N 2 2 379.574 3.228 20 0 GGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000139933987 1417481741 /nfs/dbraw/zinc/48/17/41/1417481741.db2.gz ZKVSLUDPNOFFEX-RBUKOAKNSA-N 2 2 389.588 3.285 20 0 GGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000139933987 1417481744 /nfs/dbraw/zinc/48/17/44/1417481744.db2.gz ZKVSLUDPNOFFEX-RBUKOAKNSA-N 2 2 389.588 3.285 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000141539602 1417542855 /nfs/dbraw/zinc/54/28/55/1417542855.db2.gz RTALLDIXSWAOFB-UHFFFAOYSA-N 2 2 383.492 3.350 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCCCNc2cccc[nH+]2)[NH+]2CCCC2)cc1 ZINC000141736546 1417554822 /nfs/dbraw/zinc/55/48/22/1417554822.db2.gz DIAAYMZXQJDAKT-HXUWFJFHSA-N 2 2 381.524 3.328 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000143382975 1417629168 /nfs/dbraw/zinc/62/91/68/1417629168.db2.gz ZNEZJIPRUHCBPE-NRFANRHFSA-N 2 2 378.451 3.292 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000143382975 1417629205 /nfs/dbraw/zinc/62/92/05/1417629205.db2.gz ZNEZJIPRUHCBPE-NRFANRHFSA-N 2 2 378.451 3.292 20 0 GGADLP COc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000144069108 1417655654 /nfs/dbraw/zinc/65/56/54/1417655654.db2.gz HTSHDNDQGNMXEX-FCHUYYIVSA-N 2 2 381.520 3.251 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCC1 ZINC000144133703 1417656600 /nfs/dbraw/zinc/65/66/00/1417656600.db2.gz JRQDUZJLUYYTCO-IRLDBZIGSA-N 2 2 381.520 3.251 20 0 GGADLP CN(C(=O)CCc1cccs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178876729 1429207900 /nfs/dbraw/zinc/20/79/00/1429207900.db2.gz UPTBENWFXGTXPR-PMACEKPBSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)CCc1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178876729 1429207905 /nfs/dbraw/zinc/20/79/05/1429207905.db2.gz UPTBENWFXGTXPR-PMACEKPBSA-N 2 2 377.598 3.476 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150756097 1417800274 /nfs/dbraw/zinc/80/02/74/1417800274.db2.gz OBNZMIXDHIVPCL-INIZCTEOSA-N 2 2 399.491 3.279 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150756097 1417800278 /nfs/dbraw/zinc/80/02/78/1417800278.db2.gz OBNZMIXDHIVPCL-INIZCTEOSA-N 2 2 399.491 3.279 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150789190 1417806858 /nfs/dbraw/zinc/80/68/58/1417806858.db2.gz QOCSNESKLRELNL-HZPDHXFCSA-N 2 2 381.923 3.244 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150789190 1417806859 /nfs/dbraw/zinc/80/68/59/1417806859.db2.gz QOCSNESKLRELNL-HZPDHXFCSA-N 2 2 381.923 3.244 20 0 GGADLP Cn1c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000150796662 1417808353 /nfs/dbraw/zinc/80/83/53/1417808353.db2.gz OTNQFXKUBCCYFY-AWEZNQCLSA-N 2 2 396.457 3.183 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000151130103 1417878258 /nfs/dbraw/zinc/87/82/58/1417878258.db2.gz UVOBJPWBILOWTL-YJBOKZPZSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000151130103 1417878260 /nfs/dbraw/zinc/87/82/60/1417878260.db2.gz UVOBJPWBILOWTL-YJBOKZPZSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000151333838 1417928799 /nfs/dbraw/zinc/92/87/99/1417928799.db2.gz ZLQOJKAURCTUOA-HNNXBMFYSA-N 2 2 387.480 3.325 20 0 GGADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151334688 1417929143 /nfs/dbraw/zinc/92/91/43/1417929143.db2.gz SDCUUEIMDZDHOR-UHFFFAOYSA-N 2 2 384.499 3.170 20 0 GGADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151384733 1417944090 /nfs/dbraw/zinc/94/40/90/1417944090.db2.gz KGDLVXJLDRDCCP-NDXORKPFSA-N 2 2 392.507 3.252 20 0 GGADLP C[C@H](Cc1ccccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000151599159 1418036658 /nfs/dbraw/zinc/03/66/58/1418036658.db2.gz RHCHFNOWGLLFNV-MRXNPFEDSA-N 2 2 377.960 3.193 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151649503 1418050274 /nfs/dbraw/zinc/05/02/74/1418050274.db2.gz QBQRZHWACQYOAJ-OALUTQOASA-N 2 2 384.480 3.065 20 0 GGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000151771452 1418083627 /nfs/dbraw/zinc/08/36/27/1418083627.db2.gz IADQFIAUWGKAHQ-YLJYHZDGSA-N 2 2 384.520 3.082 20 0 GGADLP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1OC ZINC000151771452 1418083629 /nfs/dbraw/zinc/08/36/29/1418083629.db2.gz IADQFIAUWGKAHQ-YLJYHZDGSA-N 2 2 384.520 3.082 20 0 GGADLP C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151776168 1418084763 /nfs/dbraw/zinc/08/47/63/1418084763.db2.gz MZXICTSOQQVTPX-ZDUSSCGKSA-N 2 2 376.386 3.444 20 0 GGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1C ZINC000151783199 1418086081 /nfs/dbraw/zinc/08/60/81/1418086081.db2.gz BESSHPNEQJAUMM-XMSQKQJNSA-N 2 2 395.547 3.029 20 0 GGADLP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1C ZINC000151783199 1418086084 /nfs/dbraw/zinc/08/60/84/1418086084.db2.gz BESSHPNEQJAUMM-XMSQKQJNSA-N 2 2 395.547 3.029 20 0 GGADLP O[C@H](C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)C[N@@H+]1CCc2ccccc2C1 ZINC000151794294 1418088067 /nfs/dbraw/zinc/08/80/67/1418088067.db2.gz KGXNEQXNYPVGRE-IFMALSPDSA-N 2 2 378.516 3.442 20 0 GGADLP O[C@H](C[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)C[N@H+]1CCc2ccccc2C1 ZINC000151794294 1418088070 /nfs/dbraw/zinc/08/80/70/1418088070.db2.gz KGXNEQXNYPVGRE-IFMALSPDSA-N 2 2 378.516 3.442 20 0 GGADLP CCCC[N@H+](C)CC1CC[NH+](Cn2nc3nc(C)cc(C)n3c2=S)CC1 ZINC000151803605 1418090469 /nfs/dbraw/zinc/09/04/69/1418090469.db2.gz SZWLRRKVKBSGCW-UHFFFAOYSA-N 2 2 376.574 3.279 20 0 GGADLP CCCC[N@@H+](C)CC1CC[NH+](Cn2nc3nc(C)cc(C)n3c2=S)CC1 ZINC000151803605 1418090476 /nfs/dbraw/zinc/09/04/76/1418090476.db2.gz SZWLRRKVKBSGCW-UHFFFAOYSA-N 2 2 376.574 3.279 20 0 GGADLP CN(C)c1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000151844157 1418099576 /nfs/dbraw/zinc/09/95/76/1418099576.db2.gz ZQBZUNXCQJHTMM-YADHBBJMSA-N 2 2 386.584 3.162 20 0 GGADLP CN(C)c1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000151844157 1418099580 /nfs/dbraw/zinc/09/95/80/1418099580.db2.gz ZQBZUNXCQJHTMM-YADHBBJMSA-N 2 2 386.584 3.162 20 0 GGADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC([N@H+](C)CCCO)CC1 ZINC000151962468 1418106777 /nfs/dbraw/zinc/10/67/77/1418106777.db2.gz ARQAAJKYMHJYFN-UHFFFAOYSA-N 2 2 399.535 3.311 20 0 GGADLP CCOC(=O)c1c[nH+]c2c(C)cc(C)cc2c1N1CCC([N@@H+](C)CCCO)CC1 ZINC000151962468 1418106780 /nfs/dbraw/zinc/10/67/80/1418106780.db2.gz ARQAAJKYMHJYFN-UHFFFAOYSA-N 2 2 399.535 3.311 20 0 GGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000178998924 1429239145 /nfs/dbraw/zinc/23/91/45/1429239145.db2.gz QHFBTCRXTVVRKJ-HXUWFJFHSA-N 2 2 378.948 3.361 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000152259145 1418187011 /nfs/dbraw/zinc/18/70/11/1418187011.db2.gz SHGVDXDMOGKRNI-ZGXWSNOMSA-N 2 2 375.561 3.234 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000152259145 1418187016 /nfs/dbraw/zinc/18/70/16/1418187016.db2.gz SHGVDXDMOGKRNI-ZGXWSNOMSA-N 2 2 375.561 3.234 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000152258935 1418187178 /nfs/dbraw/zinc/18/71/78/1418187178.db2.gz SHGVDXDMOGKRNI-WCIQWLHISA-N 2 2 375.561 3.234 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000152258935 1418187183 /nfs/dbraw/zinc/18/71/83/1418187183.db2.gz SHGVDXDMOGKRNI-WCIQWLHISA-N 2 2 375.561 3.234 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)nc1 ZINC000179113577 1429266717 /nfs/dbraw/zinc/26/67/17/1429266717.db2.gz PSGOYJQHMCLWCI-INIZCTEOSA-N 2 2 375.900 3.297 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)nc1 ZINC000179114954 1429267601 /nfs/dbraw/zinc/26/76/01/1429267601.db2.gz WXPMXXGWPKJDFG-MRXNPFEDSA-N 2 2 375.900 3.297 20 0 GGADLP C[N@@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000179124180 1429269084 /nfs/dbraw/zinc/26/90/84/1429269084.db2.gz SHCXSYZQOSHZEW-VXKWHMMOSA-N 2 2 389.503 3.176 20 0 GGADLP C[N@H+]1CC[C@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000179124180 1429269098 /nfs/dbraw/zinc/26/90/98/1429269098.db2.gz SHCXSYZQOSHZEW-VXKWHMMOSA-N 2 2 389.503 3.176 20 0 GGADLP CCc1[nH+]ccn1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000179182593 1429288553 /nfs/dbraw/zinc/28/85/53/1429288553.db2.gz ORXJNYOMRMWKIB-UHFFFAOYSA-N 2 2 388.515 3.379 20 0 GGADLP C[N@@H+]1CC[C@H](CNC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247488 1429304485 /nfs/dbraw/zinc/30/44/85/1429304485.db2.gz NYWBNCZWHYDOBI-QAPCUYQASA-N 2 2 393.894 3.058 20 0 GGADLP C[N@H+]1CC[C@H](CNC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247488 1429304491 /nfs/dbraw/zinc/30/44/91/1429304491.db2.gz NYWBNCZWHYDOBI-QAPCUYQASA-N 2 2 393.894 3.058 20 0 GGADLP Cc1ccc2c(c1)[C@@H](NC(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)CCC2 ZINC000179329961 1429331147 /nfs/dbraw/zinc/33/11/47/1429331147.db2.gz URAJIMNBXRUOKI-QFIPXVFZSA-N 2 2 384.568 3.230 20 0 GGADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(C)ccc1OC ZINC000179417568 1429366324 /nfs/dbraw/zinc/36/63/24/1429366324.db2.gz TWYTXNXJMYSHHK-FQEVSTJZSA-N 2 2 396.535 3.178 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000179432419 1429373884 /nfs/dbraw/zinc/37/38/84/1429373884.db2.gz GXPJPWRVIVFVEG-ZDUSSCGKSA-N 2 2 392.297 3.366 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000179432419 1429373892 /nfs/dbraw/zinc/37/38/92/1429373892.db2.gz GXPJPWRVIVFVEG-ZDUSSCGKSA-N 2 2 392.297 3.366 20 0 GGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000179530834 1429411786 /nfs/dbraw/zinc/41/17/86/1429411786.db2.gz IFRARTHOEHHKQI-MOPGFXCFSA-N 2 2 396.535 3.257 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000179530971 1429412750 /nfs/dbraw/zinc/41/27/50/1429412750.db2.gz CNPYFFZJRFUDSW-UXPWSPDFSA-N 2 2 388.556 3.185 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000179530971 1429412755 /nfs/dbraw/zinc/41/27/55/1429412755.db2.gz CNPYFFZJRFUDSW-UXPWSPDFSA-N 2 2 388.556 3.185 20 0 GGADLP CCCn1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000179654094 1429491295 /nfs/dbraw/zinc/49/12/95/1429491295.db2.gz RIEKEVHQUQJXHJ-VQTJNVASSA-N 2 2 390.576 3.094 20 0 GGADLP CCCn1cc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000179654094 1429491303 /nfs/dbraw/zinc/49/13/03/1429491303.db2.gz RIEKEVHQUQJXHJ-VQTJNVASSA-N 2 2 390.576 3.094 20 0 GGADLP O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000179671429 1429500729 /nfs/dbraw/zinc/50/07/29/1429500729.db2.gz QHYGZLCWNIZTDR-UHFFFAOYSA-N 2 2 399.922 3.390 20 0 GGADLP CCOCc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1OC ZINC000179713267 1429518524 /nfs/dbraw/zinc/51/85/24/1429518524.db2.gz OJIZDAXZPNNUQB-WOJBJXKFSA-N 2 2 389.584 3.222 20 0 GGADLP FC(F)(F)c1cccnc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000152353246 1422081030 /nfs/dbraw/zinc/08/10/30/1422081030.db2.gz PELVTERNQTVSDM-UHFFFAOYSA-N 2 2 395.425 3.101 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000152404769 1422094357 /nfs/dbraw/zinc/09/43/57/1422094357.db2.gz RTMWISKIYADJOE-HMXCVIKNSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000152404611 1422094425 /nfs/dbraw/zinc/09/44/25/1422094425.db2.gz RTMWISKIYADJOE-NRSPTQNISA-N 2 2 381.524 3.140 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000152427862 1422101218 /nfs/dbraw/zinc/10/12/18/1422101218.db2.gz RVIQTTLCIRGIGC-NRFANRHFSA-N 2 2 397.567 3.388 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000152427862 1422101222 /nfs/dbraw/zinc/10/12/22/1422101222.db2.gz RVIQTTLCIRGIGC-NRFANRHFSA-N 2 2 397.567 3.388 20 0 GGADLP CCOc1ccccc1[C@@H](CC)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179738704 1429531386 /nfs/dbraw/zinc/53/13/86/1429531386.db2.gz WDTSHLKRDIAGAZ-HXUWFJFHSA-N 2 2 396.535 3.260 20 0 GGADLP CCOc1ccccc1[C@H](CC)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179738689 1429531412 /nfs/dbraw/zinc/53/14/12/1429531412.db2.gz WDTSHLKRDIAGAZ-FQEVSTJZSA-N 2 2 396.535 3.260 20 0 GGADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000152552544 1422140448 /nfs/dbraw/zinc/14/04/48/1422140448.db2.gz RUNHMXXMPZFJTO-DYESRHJHSA-N 2 2 399.514 3.279 20 0 GGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179748403 1429535822 /nfs/dbraw/zinc/53/58/22/1429535822.db2.gz HJMQGHLKRDWODN-QUCCMNQESA-N 2 2 396.535 3.258 20 0 GGADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)o2)cc1 ZINC000152654785 1422192198 /nfs/dbraw/zinc/19/21/98/1422192198.db2.gz KPFZMZCPPPNFGT-KRWDZBQOSA-N 2 2 398.503 3.324 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000152705938 1422217015 /nfs/dbraw/zinc/21/70/15/1422217015.db2.gz LISMQJZFGRZVCY-RDGPPVDQSA-N 2 2 375.561 3.232 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000152705938 1422217024 /nfs/dbraw/zinc/21/70/24/1422217024.db2.gz LISMQJZFGRZVCY-RDGPPVDQSA-N 2 2 375.561 3.232 20 0 GGADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152741748 1422232560 /nfs/dbraw/zinc/23/25/60/1422232560.db2.gz MYIYJRWMPZPHOE-BVYCBKJFSA-N 2 2 393.535 3.428 20 0 GGADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152741748 1422232568 /nfs/dbraw/zinc/23/25/68/1422232568.db2.gz MYIYJRWMPZPHOE-BVYCBKJFSA-N 2 2 393.535 3.428 20 0 GGADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152799252 1422252277 /nfs/dbraw/zinc/25/22/77/1422252277.db2.gz WAEUOLWGGDTAEG-MRXNPFEDSA-N 2 2 388.943 3.442 20 0 GGADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152799149 1422252785 /nfs/dbraw/zinc/25/27/85/1422252785.db2.gz WAEUOLWGGDTAEG-INIZCTEOSA-N 2 2 388.943 3.442 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000152878879 1422280291 /nfs/dbraw/zinc/28/02/91/1422280291.db2.gz JLCJZEKDBOCKAI-GHTZIAJQSA-N 2 2 391.519 3.147 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000152878879 1422280307 /nfs/dbraw/zinc/28/03/07/1422280307.db2.gz JLCJZEKDBOCKAI-GHTZIAJQSA-N 2 2 391.519 3.147 20 0 GGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000152910427 1422292464 /nfs/dbraw/zinc/29/24/64/1422292464.db2.gz HNPIKLLOBZFYMX-KRWDZBQOSA-N 2 2 380.414 3.164 20 0 GGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000152910427 1422292469 /nfs/dbraw/zinc/29/24/69/1422292469.db2.gz HNPIKLLOBZFYMX-KRWDZBQOSA-N 2 2 380.414 3.164 20 0 GGADLP CCc1oc2ccccc2c1C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179764712 1429547848 /nfs/dbraw/zinc/54/78/48/1429547848.db2.gz PTKVCNYRCBIXPP-UHFFFAOYSA-N 2 2 379.508 3.169 20 0 GGADLP CCc1oc2ccccc2c1C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179764712 1429547854 /nfs/dbraw/zinc/54/78/54/1429547854.db2.gz PTKVCNYRCBIXPP-UHFFFAOYSA-N 2 2 379.508 3.169 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)o1 ZINC000153054881 1422341243 /nfs/dbraw/zinc/34/12/43/1422341243.db2.gz PJKUTOPQXATJND-NZSAHSFTSA-N 2 2 385.512 3.214 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000153056168 1422342337 /nfs/dbraw/zinc/34/23/37/1422342337.db2.gz JDLQAWZEYLIEGU-RTWAWAEBSA-N 2 2 392.507 3.396 20 0 GGADLP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000153417776 1422524351 /nfs/dbraw/zinc/52/43/51/1422524351.db2.gz GXZLBGZAMCBCLA-AZUAARDMSA-N 2 2 378.520 3.267 20 0 GGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153545710 1422602010 /nfs/dbraw/zinc/60/20/10/1422602010.db2.gz CZQJEQHEHXSHDP-FXAWDEMLSA-N 2 2 382.508 3.374 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000153560576 1422616422 /nfs/dbraw/zinc/61/64/22/1422616422.db2.gz YFTKJCJGTFYDML-CQSZACIVSA-N 2 2 384.927 3.208 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000153560576 1422616442 /nfs/dbraw/zinc/61/64/42/1422616442.db2.gz YFTKJCJGTFYDML-CQSZACIVSA-N 2 2 384.927 3.208 20 0 GGADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)CC2)cc1 ZINC000153610586 1422646774 /nfs/dbraw/zinc/64/67/74/1422646774.db2.gz GUBDHJAYEPYVCB-QHCPKHFHSA-N 2 2 399.579 3.098 20 0 GGADLP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)CC2)cc1 ZINC000153610586 1422646781 /nfs/dbraw/zinc/64/67/81/1422646781.db2.gz GUBDHJAYEPYVCB-QHCPKHFHSA-N 2 2 399.579 3.098 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000153620505 1422654948 /nfs/dbraw/zinc/65/49/48/1422654948.db2.gz NDHAWLZLTJRIDK-UHFFFAOYSA-N 2 2 395.469 3.395 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000153620505 1422654965 /nfs/dbraw/zinc/65/49/65/1422654965.db2.gz NDHAWLZLTJRIDK-UHFFFAOYSA-N 2 2 395.469 3.395 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153647681 1422675101 /nfs/dbraw/zinc/67/51/01/1422675101.db2.gz TVHOQKXHLQLHRE-NHCUHLMSSA-N 2 2 382.508 3.327 20 0 GGADLP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000153659403 1422684846 /nfs/dbraw/zinc/68/48/46/1422684846.db2.gz LFUHQGROYCACCH-APWZRJJASA-N 2 2 394.441 3.090 20 0 GGADLP C[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000153659403 1422684856 /nfs/dbraw/zinc/68/48/56/1422684856.db2.gz LFUHQGROYCACCH-APWZRJJASA-N 2 2 394.441 3.090 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000153671317 1422696126 /nfs/dbraw/zinc/69/61/26/1422696126.db2.gz UBMRBNPROAVONL-CVEARBPZSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000153671317 1422696143 /nfs/dbraw/zinc/69/61/43/1422696143.db2.gz UBMRBNPROAVONL-CVEARBPZSA-N 2 2 375.513 3.027 20 0 GGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000153814600 1422776049 /nfs/dbraw/zinc/77/60/49/1422776049.db2.gz NFVPHXOTGBBOOW-MRXNPFEDSA-N 2 2 397.610 3.070 20 0 GGADLP Cc1coc(-c2cc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)ccc2C)n1 ZINC000154102746 1422840461 /nfs/dbraw/zinc/84/04/61/1422840461.db2.gz WCTGVOWTAMJUAB-UHFFFAOYSA-N 2 2 399.539 3.448 20 0 GGADLP Cc1coc(-c2cc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)ccc2C)n1 ZINC000154102746 1422840463 /nfs/dbraw/zinc/84/04/63/1422840463.db2.gz WCTGVOWTAMJUAB-UHFFFAOYSA-N 2 2 399.539 3.448 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000154527476 1422903774 /nfs/dbraw/zinc/90/37/74/1422903774.db2.gz NEXBPEMZANEBGT-KOUHRCEDSA-N 2 2 381.524 3.139 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000154527476 1422903776 /nfs/dbraw/zinc/90/37/76/1422903776.db2.gz NEXBPEMZANEBGT-KOUHRCEDSA-N 2 2 381.524 3.139 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154728211 1423013308 /nfs/dbraw/zinc/01/33/08/1423013308.db2.gz XUEJZMVUGSWQGP-SFTDATJTSA-N 2 2 383.580 3.404 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154728211 1423013320 /nfs/dbraw/zinc/01/33/20/1423013320.db2.gz XUEJZMVUGSWQGP-SFTDATJTSA-N 2 2 383.580 3.404 20 0 GGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1Cc2ccc(F)cc2C1=O ZINC000179862004 1429614831 /nfs/dbraw/zinc/61/48/31/1429614831.db2.gz XRONJHVMPBNALL-UHFFFAOYSA-N 2 2 382.483 3.373 20 0 GGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1Cc2ccc(F)cc2C1=O ZINC000179862004 1429614834 /nfs/dbraw/zinc/61/48/34/1429614834.db2.gz XRONJHVMPBNALL-UHFFFAOYSA-N 2 2 382.483 3.373 20 0 GGADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1 ZINC000155153541 1423200036 /nfs/dbraw/zinc/20/00/36/1423200036.db2.gz LPMLXQWSDSCDEL-KRWDZBQOSA-N 2 2 388.483 3.396 20 0 GGADLP COc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1F ZINC000155159017 1423203110 /nfs/dbraw/zinc/20/31/10/1423203110.db2.gz UMZSPFQQQOHQRF-KRWDZBQOSA-N 2 2 388.483 3.396 20 0 GGADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)C[C@@H](C)O1 ZINC000155161158 1423203773 /nfs/dbraw/zinc/20/37/73/1423203773.db2.gz HEEGKWKEHDIWIM-IAGOWNOFSA-N 2 2 376.545 3.439 20 0 GGADLP c1ccc(N2CCC([NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)CC2)cc1 ZINC000155172217 1423210334 /nfs/dbraw/zinc/21/03/34/1423210334.db2.gz FEXNSMFNWISZSP-UHFFFAOYSA-N 2 2 395.547 3.156 20 0 GGADLP c1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155173361 1423211476 /nfs/dbraw/zinc/21/14/76/1423211476.db2.gz DHGSJMXDFPQRPF-JOCHJYFZSA-N 2 2 382.504 3.401 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccnc(Cl)c1 ZINC000155173003 1423212109 /nfs/dbraw/zinc/21/21/09/1423212109.db2.gz WUVAKFQFPRLUSI-MRXNPFEDSA-N 2 2 375.900 3.297 20 0 GGADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000155176540 1423214988 /nfs/dbraw/zinc/21/49/88/1423214988.db2.gz HJDJZXKRGNKJGA-IBGZPJMESA-N 2 2 387.549 3.330 20 0 GGADLP CC[N@H+](Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1)C1CC1 ZINC000155237396 1423266097 /nfs/dbraw/zinc/26/60/97/1423266097.db2.gz LVUCKXRSZPBCRT-UHFFFAOYSA-N 2 2 394.519 3.463 20 0 GGADLP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1)C1CC1 ZINC000155237396 1423266114 /nfs/dbraw/zinc/26/61/14/1423266114.db2.gz LVUCKXRSZPBCRT-UHFFFAOYSA-N 2 2 394.519 3.463 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000155242331 1423268705 /nfs/dbraw/zinc/26/87/05/1423268705.db2.gz CYKNFJCVOMHSBZ-YJBOKZPZSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000155242331 1423268717 /nfs/dbraw/zinc/26/87/17/1423268717.db2.gz CYKNFJCVOMHSBZ-YJBOKZPZSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000155325331 1423318476 /nfs/dbraw/zinc/31/84/76/1423318476.db2.gz ZQFYSWNYDWGDQA-KRWDZBQOSA-N 2 2 375.476 3.223 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(-c2ccncc2)c1 ZINC000155372164 1423337965 /nfs/dbraw/zinc/33/79/65/1423337965.db2.gz YMSSOPJLQVFDKV-PGRDOPGGSA-N 2 2 380.536 3.342 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(-c2ccncc2)c1 ZINC000155372164 1423337978 /nfs/dbraw/zinc/33/79/78/1423337978.db2.gz YMSSOPJLQVFDKV-PGRDOPGGSA-N 2 2 380.536 3.342 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000155538834 1423406599 /nfs/dbraw/zinc/40/65/99/1423406599.db2.gz DSMLKEMEDVFRTE-QGZVFWFLSA-N 2 2 375.476 3.223 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000155538734 1423407249 /nfs/dbraw/zinc/40/72/49/1423407249.db2.gz DSMLKEMEDVFRTE-KRWDZBQOSA-N 2 2 375.476 3.223 20 0 GGADLP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000155705562 1423496626 /nfs/dbraw/zinc/49/66/26/1423496626.db2.gz UJVBJGVSYOFHLT-HXUWFJFHSA-N 2 2 387.959 3.253 20 0 GGADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000156213963 1423729301 /nfs/dbraw/zinc/72/93/01/1423729301.db2.gz PUQXMAMMSBKLCY-MSOLQXFVSA-N 2 2 389.565 3.156 20 0 GGADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000156213963 1423729312 /nfs/dbraw/zinc/72/93/12/1423729312.db2.gz PUQXMAMMSBKLCY-MSOLQXFVSA-N 2 2 389.565 3.156 20 0 GGADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000156214082 1423729628 /nfs/dbraw/zinc/72/96/28/1423729628.db2.gz PUQXMAMMSBKLCY-ZWKOTPCHSA-N 2 2 389.565 3.156 20 0 GGADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000156214082 1423729643 /nfs/dbraw/zinc/72/96/43/1423729643.db2.gz PUQXMAMMSBKLCY-ZWKOTPCHSA-N 2 2 389.565 3.156 20 0 GGADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000156214224 1423729946 /nfs/dbraw/zinc/72/99/46/1423729946.db2.gz PUQXMAMMSBKLCY-QZTJIDSGSA-N 2 2 389.565 3.156 20 0 GGADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000156214224 1423729966 /nfs/dbraw/zinc/72/99/66/1423729966.db2.gz PUQXMAMMSBKLCY-QZTJIDSGSA-N 2 2 389.565 3.156 20 0 GGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@@H+]1C ZINC000179972997 1429669431 /nfs/dbraw/zinc/66/94/31/1429669431.db2.gz CAZRHVTXVSSGGS-BMGDILEWSA-N 2 2 383.458 3.269 20 0 GGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@H+]1C ZINC000179972997 1429669438 /nfs/dbraw/zinc/66/94/38/1429669438.db2.gz CAZRHVTXVSSGGS-BMGDILEWSA-N 2 2 383.458 3.269 20 0 GGADLP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000156314362 1423773573 /nfs/dbraw/zinc/77/35/73/1423773573.db2.gz LRWSSUYPFCTMDJ-HXUWFJFHSA-N 2 2 389.540 3.008 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156445725 1423811350 /nfs/dbraw/zinc/81/13/50/1423811350.db2.gz KBQTVXRZGMYTGS-ZQIUZPCESA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156445725 1423811351 /nfs/dbraw/zinc/81/13/51/1423811351.db2.gz KBQTVXRZGMYTGS-ZQIUZPCESA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472565 1423814761 /nfs/dbraw/zinc/81/47/61/1423814761.db2.gz WIUZJIXFUBBLRH-DZKIICNBSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472565 1423814762 /nfs/dbraw/zinc/81/47/62/1423814762.db2.gz WIUZJIXFUBBLRH-DZKIICNBSA-N 2 2 378.423 3.395 20 0 GGADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000156482471 1423816357 /nfs/dbraw/zinc/81/63/57/1423816357.db2.gz NTPJLLWJCQOWAB-NRFANRHFSA-N 2 2 392.547 3.493 20 0 GGADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000156482471 1423816362 /nfs/dbraw/zinc/81/63/62/1423816362.db2.gz NTPJLLWJCQOWAB-NRFANRHFSA-N 2 2 392.547 3.493 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156489755 1423817867 /nfs/dbraw/zinc/81/78/67/1423817867.db2.gz PXVXBDRWASZHSG-ZQIUZPCESA-N 2 2 376.888 3.455 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156489755 1423817868 /nfs/dbraw/zinc/81/78/68/1423817868.db2.gz PXVXBDRWASZHSG-ZQIUZPCESA-N 2 2 376.888 3.455 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156533862 1423824203 /nfs/dbraw/zinc/82/42/03/1423824203.db2.gz NQPAQGLQACITGS-BBRMVZONSA-N 2 2 382.386 3.303 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156533862 1423824204 /nfs/dbraw/zinc/82/42/04/1423824204.db2.gz NQPAQGLQACITGS-BBRMVZONSA-N 2 2 382.386 3.303 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156533750 1423824342 /nfs/dbraw/zinc/82/43/42/1423824342.db2.gz NQPAQGLQACITGS-CJNGLKHVSA-N 2 2 382.386 3.303 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156533750 1423824344 /nfs/dbraw/zinc/82/43/44/1423824344.db2.gz NQPAQGLQACITGS-CJNGLKHVSA-N 2 2 382.386 3.303 20 0 GGADLP COc1ccc([C@H](CNC2CC[NH+](Cc3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000156679383 1423846564 /nfs/dbraw/zinc/84/65/64/1423846564.db2.gz FYOMDEYZBYNBAQ-DEOSSOPVSA-N 2 2 394.563 3.481 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH+](C)[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)nc12 ZINC000156981808 1423896752 /nfs/dbraw/zinc/89/67/52/1423896752.db2.gz QVBSPQJZPAAROK-DENIHFKCSA-N 2 2 390.531 3.488 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH+](C)[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)nc12 ZINC000156981808 1423896755 /nfs/dbraw/zinc/89/67/55/1423896755.db2.gz QVBSPQJZPAAROK-DENIHFKCSA-N 2 2 390.531 3.488 20 0 GGADLP Cc1cccn2c(=O)cc(C[N@@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)nc12 ZINC000156981808 1423896760 /nfs/dbraw/zinc/89/67/60/1423896760.db2.gz QVBSPQJZPAAROK-DENIHFKCSA-N 2 2 390.531 3.488 20 0 GGADLP Cc1cccn2c(=O)cc(C[N@H+](C)[C@@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)nc12 ZINC000156981808 1423896761 /nfs/dbraw/zinc/89/67/61/1423896761.db2.gz QVBSPQJZPAAROK-DENIHFKCSA-N 2 2 390.531 3.488 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH+](C)[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)nc12 ZINC000156981951 1423897203 /nfs/dbraw/zinc/89/72/03/1423897203.db2.gz QVBSPQJZPAAROK-KNQAVFIVSA-N 2 2 390.531 3.488 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH+](C)[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)nc12 ZINC000156981951 1423897205 /nfs/dbraw/zinc/89/72/05/1423897205.db2.gz QVBSPQJZPAAROK-KNQAVFIVSA-N 2 2 390.531 3.488 20 0 GGADLP Cc1cccn2c(=O)cc(C[N@@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)nc12 ZINC000156981951 1423897208 /nfs/dbraw/zinc/89/72/08/1423897208.db2.gz QVBSPQJZPAAROK-KNQAVFIVSA-N 2 2 390.531 3.488 20 0 GGADLP Cc1cccn2c(=O)cc(C[N@H+](C)[C@H]3CC[NH+](Cc4ccccc4)[C@H](C)C3)nc12 ZINC000156981951 1423897209 /nfs/dbraw/zinc/89/72/09/1423897209.db2.gz QVBSPQJZPAAROK-KNQAVFIVSA-N 2 2 390.531 3.488 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000157001551 1423899965 /nfs/dbraw/zinc/89/99/65/1423899965.db2.gz SJUAIPNRIVVTGS-WIYYLYMNSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000157001551 1423899966 /nfs/dbraw/zinc/89/99/66/1423899966.db2.gz SJUAIPNRIVVTGS-WIYYLYMNSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000157001551 1423899968 /nfs/dbraw/zinc/89/99/68/1423899968.db2.gz SJUAIPNRIVVTGS-WIYYLYMNSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000157001551 1423899972 /nfs/dbraw/zinc/89/99/72/1423899972.db2.gz SJUAIPNRIVVTGS-WIYYLYMNSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000157001858 1423900406 /nfs/dbraw/zinc/90/04/06/1423900406.db2.gz SJUAIPNRIVVTGS-NQIIRXRSSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000157001858 1423900416 /nfs/dbraw/zinc/90/04/16/1423900416.db2.gz SJUAIPNRIVVTGS-NQIIRXRSSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000157001858 1423900422 /nfs/dbraw/zinc/90/04/22/1423900422.db2.gz SJUAIPNRIVVTGS-NQIIRXRSSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000157001858 1423900428 /nfs/dbraw/zinc/90/04/28/1423900428.db2.gz SJUAIPNRIVVTGS-NQIIRXRSSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000157030420 1423907134 /nfs/dbraw/zinc/90/71/34/1423907134.db2.gz QXSKJZCJYOKIIS-LPHOPBHVSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@H+]1Cc1ccccc1 ZINC000157030420 1423907137 /nfs/dbraw/zinc/90/71/37/1423907137.db2.gz QXSKJZCJYOKIIS-LPHOPBHVSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1Cc1ccccc1 ZINC000157030420 1423907138 /nfs/dbraw/zinc/90/71/38/1423907138.db2.gz QXSKJZCJYOKIIS-LPHOPBHVSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1Cc1ccccc1 ZINC000157030420 1423907140 /nfs/dbraw/zinc/90/71/40/1423907140.db2.gz QXSKJZCJYOKIIS-LPHOPBHVSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000157030138 1423907341 /nfs/dbraw/zinc/90/73/41/1423907341.db2.gz QXSKJZCJYOKIIS-QFBILLFUSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@H+]1Cc1ccccc1 ZINC000157030138 1423907346 /nfs/dbraw/zinc/90/73/46/1423907346.db2.gz QXSKJZCJYOKIIS-QFBILLFUSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1Cc1ccccc1 ZINC000157030138 1423907354 /nfs/dbraw/zinc/90/73/54/1423907354.db2.gz QXSKJZCJYOKIIS-QFBILLFUSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1Cc1ccccc1 ZINC000157030138 1423907364 /nfs/dbraw/zinc/90/73/64/1423907364.db2.gz QXSKJZCJYOKIIS-QFBILLFUSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000157077441 1423918947 /nfs/dbraw/zinc/91/89/47/1423918947.db2.gz AOFQEQZPFRSMBD-ICSRJNTNSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000157077441 1423918952 /nfs/dbraw/zinc/91/89/52/1423918952.db2.gz AOFQEQZPFRSMBD-ICSRJNTNSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000157077441 1423918959 /nfs/dbraw/zinc/91/89/59/1423918959.db2.gz AOFQEQZPFRSMBD-ICSRJNTNSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000157077441 1423918964 /nfs/dbraw/zinc/91/89/64/1423918964.db2.gz AOFQEQZPFRSMBD-ICSRJNTNSA-N 2 2 394.519 3.177 20 0 GGADLP Cc1cc(OCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(C)c1Cl ZINC000157133130 1423933331 /nfs/dbraw/zinc/93/33/31/1423933331.db2.gz FVOYWHGSIGTXMQ-UHFFFAOYSA-N 2 2 393.959 3.010 20 0 GGADLP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1 ZINC000157145303 1423936486 /nfs/dbraw/zinc/93/64/86/1423936486.db2.gz HSGVALYDVDNMED-UTKZUKDTSA-N 2 2 399.535 3.150 20 0 GGADLP COc1cc(OC)c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1 ZINC000157145303 1423936492 /nfs/dbraw/zinc/93/64/92/1423936492.db2.gz HSGVALYDVDNMED-UTKZUKDTSA-N 2 2 399.535 3.150 20 0 GGADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157283140 1423973400 /nfs/dbraw/zinc/97/34/00/1423973400.db2.gz MTGLNFSLIJGMID-MJGOQNOKSA-N 2 2 391.531 3.132 20 0 GGADLP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157283140 1423973403 /nfs/dbraw/zinc/97/34/03/1423973403.db2.gz MTGLNFSLIJGMID-MJGOQNOKSA-N 2 2 391.531 3.132 20 0 GGADLP COc1ccc(CN(C(=O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000157417376 1424006884 /nfs/dbraw/zinc/00/68/84/1424006884.db2.gz PVUXHGGLXBFVFM-HXUWFJFHSA-N 2 2 385.552 3.137 20 0 GGADLP COc1ccc(CN(C(=O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000157417376 1424006893 /nfs/dbraw/zinc/00/68/93/1424006893.db2.gz PVUXHGGLXBFVFM-HXUWFJFHSA-N 2 2 385.552 3.137 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@H+](C)C3CC[NH+](CC)CC3)cc(=O)oc2c1 ZINC000157436800 1424010981 /nfs/dbraw/zinc/01/09/81/1424010981.db2.gz FDESBWBSERYSEB-UHFFFAOYSA-N 2 2 387.480 3.278 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@@H+](C)C3CC[NH+](CC)CC3)cc(=O)oc2c1 ZINC000157436800 1424010984 /nfs/dbraw/zinc/01/09/84/1424010984.db2.gz FDESBWBSERYSEB-UHFFFAOYSA-N 2 2 387.480 3.278 20 0 GGADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157500509 1424024337 /nfs/dbraw/zinc/02/43/37/1424024337.db2.gz NNSSGWHSMNRVKE-HXUWFJFHSA-N 2 2 391.531 3.003 20 0 GGADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157500509 1424024345 /nfs/dbraw/zinc/02/43/45/1424024345.db2.gz NNSSGWHSMNRVKE-HXUWFJFHSA-N 2 2 391.531 3.003 20 0 GGADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157500353 1424024395 /nfs/dbraw/zinc/02/43/95/1424024395.db2.gz NNSSGWHSMNRVKE-FQEVSTJZSA-N 2 2 391.531 3.003 20 0 GGADLP CN(CCCOc1ccc(F)cc1)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157500353 1424024402 /nfs/dbraw/zinc/02/44/02/1424024402.db2.gz NNSSGWHSMNRVKE-FQEVSTJZSA-N 2 2 391.531 3.003 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000157699283 1424068139 /nfs/dbraw/zinc/06/81/39/1424068139.db2.gz GZFYUTIEQCNTNP-UHFFFAOYSA-N 2 2 387.572 3.167 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000157699283 1424068149 /nfs/dbraw/zinc/06/81/49/1424068149.db2.gz GZFYUTIEQCNTNP-UHFFFAOYSA-N 2 2 387.572 3.167 20 0 GGADLP CC[NH+](CC)CCNC(=O)c1cccc(NCc2c[nH+]c3ccc(C)cn23)c1 ZINC000157747897 1424079719 /nfs/dbraw/zinc/07/97/19/1424079719.db2.gz OJXLSGWKVQSXEY-UHFFFAOYSA-N 2 2 379.508 3.326 20 0 GGADLP C[C@@H](CCn1cccn1)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000157760120 1424081886 /nfs/dbraw/zinc/08/18/86/1424081886.db2.gz YCSVRLGKNHAOCM-SFHVURJKSA-N 2 2 375.948 3.117 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157791258 1424089034 /nfs/dbraw/zinc/08/90/34/1424089034.db2.gz NKVZRPULKBEHJJ-CZUORRHYSA-N 2 2 385.430 3.376 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157791258 1424089042 /nfs/dbraw/zinc/08/90/42/1424089042.db2.gz NKVZRPULKBEHJJ-CZUORRHYSA-N 2 2 385.430 3.376 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000157812066 1424093153 /nfs/dbraw/zinc/09/31/53/1424093153.db2.gz AVYQIWYXGYKOCC-HDICACEKSA-N 2 2 399.539 3.355 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000157812066 1424093158 /nfs/dbraw/zinc/09/31/58/1424093158.db2.gz AVYQIWYXGYKOCC-HDICACEKSA-N 2 2 399.539 3.355 20 0 GGADLP CCC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000157963443 1424130307 /nfs/dbraw/zinc/13/03/07/1424130307.db2.gz LWVJVFXROCZVRO-QZTJIDSGSA-N 2 2 388.556 3.292 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000158042075 1424145940 /nfs/dbraw/zinc/14/59/40/1424145940.db2.gz HQYHFXIEFFOPBY-GOSISDBHSA-N 2 2 395.522 3.353 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2cccc(F)c2C1 ZINC000158042075 1424145951 /nfs/dbraw/zinc/14/59/51/1424145951.db2.gz HQYHFXIEFFOPBY-GOSISDBHSA-N 2 2 395.522 3.353 20 0 GGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000158322167 1424226251 /nfs/dbraw/zinc/22/62/51/1424226251.db2.gz FTULGFCJGMGUNX-HSZRJFAPSA-N 2 2 393.531 3.498 20 0 GGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000158322167 1424226259 /nfs/dbraw/zinc/22/62/59/1424226259.db2.gz FTULGFCJGMGUNX-HSZRJFAPSA-N 2 2 393.531 3.498 20 0 GGADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2C1 ZINC000158322167 1424226264 /nfs/dbraw/zinc/22/62/64/1424226264.db2.gz FTULGFCJGMGUNX-HSZRJFAPSA-N 2 2 393.531 3.498 20 0 GGADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C1 ZINC000158322167 1424226271 /nfs/dbraw/zinc/22/62/71/1424226271.db2.gz FTULGFCJGMGUNX-HSZRJFAPSA-N 2 2 393.531 3.498 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000158403281 1424246022 /nfs/dbraw/zinc/24/60/22/1424246022.db2.gz YSAPBBBQGPMWLU-MRXNPFEDSA-N 2 2 394.475 3.396 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC[C@@H]21 ZINC000158470556 1424265772 /nfs/dbraw/zinc/26/57/72/1424265772.db2.gz ZQVOIDCRLRQYON-RXVVDRJESA-N 2 2 387.543 3.170 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC[C@@H]21 ZINC000158470556 1424265779 /nfs/dbraw/zinc/26/57/79/1424265779.db2.gz ZQVOIDCRLRQYON-RXVVDRJESA-N 2 2 387.543 3.170 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC[C@@H]21 ZINC000158470556 1424265791 /nfs/dbraw/zinc/26/57/91/1424265791.db2.gz ZQVOIDCRLRQYON-RXVVDRJESA-N 2 2 387.543 3.170 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCC3(c4ccc(F)cc4)CCCC3)CC[C@@H]21 ZINC000158470556 1424265804 /nfs/dbraw/zinc/26/58/04/1424265804.db2.gz ZQVOIDCRLRQYON-RXVVDRJESA-N 2 2 387.543 3.170 20 0 GGADLP C[C@@H](CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@H+](C)Cc1ccccc1 ZINC000158478214 1424268296 /nfs/dbraw/zinc/26/82/96/1424268296.db2.gz MFZUZNGEXGRXNW-GHTZIAJQSA-N 2 2 382.508 3.155 20 0 GGADLP C[C@@H](CCNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000158478214 1424268301 /nfs/dbraw/zinc/26/83/01/1424268301.db2.gz MFZUZNGEXGRXNW-GHTZIAJQSA-N 2 2 382.508 3.155 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@@H]21 ZINC000158492033 1424271451 /nfs/dbraw/zinc/27/14/51/1424271451.db2.gz YKJOEFAXLWGDLD-FHLIZLRMSA-N 2 2 381.442 3.227 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@@H]21 ZINC000158492033 1424271464 /nfs/dbraw/zinc/27/14/64/1424271464.db2.gz YKJOEFAXLWGDLD-FHLIZLRMSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@@H]21 ZINC000158492033 1424271469 /nfs/dbraw/zinc/27/14/69/1424271469.db2.gz YKJOEFAXLWGDLD-FHLIZLRMSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@@H]21 ZINC000158492033 1424271481 /nfs/dbraw/zinc/27/14/81/1424271481.db2.gz YKJOEFAXLWGDLD-FHLIZLRMSA-N 2 2 381.442 3.227 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000158540624 1424283905 /nfs/dbraw/zinc/28/39/05/1424283905.db2.gz RTSBXELYMLBQIA-UHFFFAOYSA-N 2 2 387.553 3.294 20 0 GGADLP CN(C(=O)NCc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158569766 1424292373 /nfs/dbraw/zinc/29/23/73/1424292373.db2.gz NCDFRSAGUNMETP-RTWAWAEBSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158569766 1424292378 /nfs/dbraw/zinc/29/23/78/1424292378.db2.gz NCDFRSAGUNMETP-RTWAWAEBSA-N 2 2 390.547 3.304 20 0 GGADLP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1Br ZINC000158584435 1424295860 /nfs/dbraw/zinc/29/58/60/1424295860.db2.gz QAOKWHOUSGLKAE-NIKGAXFTSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1Br ZINC000158584435 1424295872 /nfs/dbraw/zinc/29/58/72/1424295872.db2.gz QAOKWHOUSGLKAE-NIKGAXFTSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000158584435 1424295876 /nfs/dbraw/zinc/29/58/76/1424295876.db2.gz QAOKWHOUSGLKAE-NIKGAXFTSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Br ZINC000158584435 1424295883 /nfs/dbraw/zinc/29/58/83/1424295883.db2.gz QAOKWHOUSGLKAE-NIKGAXFTSA-N 2 2 379.342 3.431 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1nc2ccccc2n1C ZINC000180053730 1429715700 /nfs/dbraw/zinc/71/57/00/1429715700.db2.gz CECWHJVIESCHNL-SFHVURJKSA-N 2 2 394.519 3.135 20 0 GGADLP Cc1cccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158619302 1424303385 /nfs/dbraw/zinc/30/33/85/1424303385.db2.gz RBZVHNRSEZGUBP-VXKWHMMOSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1cccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158619302 1424303396 /nfs/dbraw/zinc/30/33/96/1424303396.db2.gz RBZVHNRSEZGUBP-VXKWHMMOSA-N 2 2 386.584 3.474 20 0 GGADLP COc1ccc([C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)C)cc1 ZINC000180075222 1429725624 /nfs/dbraw/zinc/72/56/24/1429725624.db2.gz RMRBZIMMWOTYKP-HSZRJFAPSA-N 2 2 396.535 3.116 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000158938215 1424377257 /nfs/dbraw/zinc/37/72/57/1424377257.db2.gz DHQPMBLADWGUHQ-IBGZPJMESA-N 2 2 378.582 3.437 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000158938215 1424377261 /nfs/dbraw/zinc/37/72/61/1424377261.db2.gz DHQPMBLADWGUHQ-IBGZPJMESA-N 2 2 378.582 3.437 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000159192705 1424439453 /nfs/dbraw/zinc/43/94/53/1424439453.db2.gz LYFQUPFNYXBGCN-UHFFFAOYSA-N 2 2 393.491 3.345 20 0 GGADLP C[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000159189987 1424439678 /nfs/dbraw/zinc/43/96/78/1424439678.db2.gz RDSPTTYKZDBWNW-GOSISDBHSA-N 2 2 385.512 3.206 20 0 GGADLP C[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+]1CCC(C)CC1 ZINC000159221241 1424448219 /nfs/dbraw/zinc/44/82/19/1424448219.db2.gz IXHBUJRASKVIQS-GOSISDBHSA-N 2 2 385.512 3.204 20 0 GGADLP CC(C)(C)[NH+]1CCC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000159236346 1424454493 /nfs/dbraw/zinc/45/44/93/1424454493.db2.gz UEYDSGNQGNOYOH-UHFFFAOYSA-N 2 2 385.512 3.347 20 0 GGADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159245928 1424457012 /nfs/dbraw/zinc/45/70/12/1424457012.db2.gz QUTNQFCTGJSLQF-OAQYLSRUSA-N 2 2 395.551 3.068 20 0 GGADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159245928 1424457032 /nfs/dbraw/zinc/45/70/32/1424457032.db2.gz QUTNQFCTGJSLQF-OAQYLSRUSA-N 2 2 395.551 3.068 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+](Cn2c(=O)sc3c2CC[C@H](C)C3)CC1 ZINC000159870650 1424546057 /nfs/dbraw/zinc/54/60/57/1424546057.db2.gz FQMYQDQJVGZOHB-KRWDZBQOSA-N 2 2 395.613 3.063 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+](Cn2c(=O)sc3c2CC[C@H](C)C3)CC1 ZINC000159870650 1424546066 /nfs/dbraw/zinc/54/60/66/1424546066.db2.gz FQMYQDQJVGZOHB-KRWDZBQOSA-N 2 2 395.613 3.063 20 0 GGADLP CN(C(=O)NCCSC(C)(C)C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000160609588 1424618712 /nfs/dbraw/zinc/61/87/12/1424618712.db2.gz ZZNGRJBUCASNLX-RTBURBONSA-N 2 2 398.661 3.497 20 0 GGADLP CN(C(=O)NCCSC(C)(C)C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000160609588 1424618720 /nfs/dbraw/zinc/61/87/20/1424618720.db2.gz ZZNGRJBUCASNLX-RTBURBONSA-N 2 2 398.661 3.497 20 0 GGADLP CN(C(=O)NOCc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000160743979 1424631852 /nfs/dbraw/zinc/63/18/52/1424631852.db2.gz IEUIOKDVNJVTPC-SFTDATJTSA-N 2 2 388.556 3.097 20 0 GGADLP CN(C(=O)NOCc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000160743979 1424631859 /nfs/dbraw/zinc/63/18/59/1424631859.db2.gz IEUIOKDVNJVTPC-SFTDATJTSA-N 2 2 388.556 3.097 20 0 GGADLP CC(C)[NH+](CCSCC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000160973768 1424648832 /nfs/dbraw/zinc/64/88/32/1424648832.db2.gz YHQASRHNLUSWBA-UHFFFAOYSA-N 2 2 393.597 3.309 20 0 GGADLP C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161328918 1424677944 /nfs/dbraw/zinc/67/79/44/1424677944.db2.gz ZMEAFASQRBQYPU-LJQANCHMSA-N 2 2 393.535 3.221 20 0 GGADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCn2cc[nH+]c2C1 ZINC000161539378 1424703735 /nfs/dbraw/zinc/70/37/35/1424703735.db2.gz CTCAIIVEUICBDA-JOCHJYFZSA-N 2 2 394.563 3.297 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccnc(Cl)c1 ZINC000162032705 1424810459 /nfs/dbraw/zinc/81/04/59/1424810459.db2.gz UYDZCLBZTHIBSM-MRXNPFEDSA-N 2 2 375.900 3.297 20 0 GGADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCC2 ZINC000162036346 1424810879 /nfs/dbraw/zinc/81/08/79/1424810879.db2.gz AMRCROHYPUFCHS-SFHVURJKSA-N 2 2 387.549 3.330 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000162219665 1424827751 /nfs/dbraw/zinc/82/77/51/1424827751.db2.gz BFJUYRPVAOGWKF-LJQANCHMSA-N 2 2 397.922 3.063 20 0 GGADLP O=C([C@@H]1CCn2c[nH+]cc2C1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000162432757 1424851036 /nfs/dbraw/zinc/85/10/36/1424851036.db2.gz MOOSIHVPSVXDIC-GOSISDBHSA-N 2 2 398.510 3.360 20 0 GGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CN(C)C(=O)OC(C)(C)C ZINC000162508935 1424860196 /nfs/dbraw/zinc/86/01/96/1424860196.db2.gz ATHLBNATEDXHHC-HBFSDRIKSA-N 2 2 390.572 3.385 20 0 GGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CN(C)C(=O)OC(C)(C)C ZINC000162508935 1424860200 /nfs/dbraw/zinc/86/02/00/1424860200.db2.gz ATHLBNATEDXHHC-HBFSDRIKSA-N 2 2 390.572 3.385 20 0 GGADLP COCC[N@H+](C)CCCC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000162579004 1424868219 /nfs/dbraw/zinc/86/82/19/1424868219.db2.gz BHRQVXPXIMQWON-UHFFFAOYSA-N 2 2 375.561 3.042 20 0 GGADLP COCC[N@@H+](C)CCCC1CCN(c2cc(N3CCCCC3)[nH+]cn2)CC1 ZINC000162579004 1424868224 /nfs/dbraw/zinc/86/82/24/1424868224.db2.gz BHRQVXPXIMQWON-UHFFFAOYSA-N 2 2 375.561 3.042 20 0 GGADLP COCC[N@H+](C)CCCC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000162579004 1424868226 /nfs/dbraw/zinc/86/82/26/1424868226.db2.gz BHRQVXPXIMQWON-UHFFFAOYSA-N 2 2 375.561 3.042 20 0 GGADLP COCC[N@@H+](C)CCCC1CCN(c2cc(N3CCCCC3)nc[nH+]2)CC1 ZINC000162579004 1424868230 /nfs/dbraw/zinc/86/82/30/1424868230.db2.gz BHRQVXPXIMQWON-UHFFFAOYSA-N 2 2 375.561 3.042 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162591847 1424869775 /nfs/dbraw/zinc/86/97/75/1424869775.db2.gz UNWZMWDXGBZRLZ-XXBNENTESA-N 3 2 382.552 3.022 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162591847 1424869783 /nfs/dbraw/zinc/86/97/83/1424869783.db2.gz UNWZMWDXGBZRLZ-XXBNENTESA-N 3 2 382.552 3.022 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000162747016 1424887372 /nfs/dbraw/zinc/88/73/72/1424887372.db2.gz KMVPYJGJOCIWNH-INIZCTEOSA-N 2 2 378.513 3.402 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000162747016 1424887374 /nfs/dbraw/zinc/88/73/74/1424887374.db2.gz KMVPYJGJOCIWNH-INIZCTEOSA-N 2 2 378.513 3.402 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000163160700 1424951796 /nfs/dbraw/zinc/95/17/96/1424951796.db2.gz PORQKLVJMNNHPW-MRXNPFEDSA-N 2 2 384.490 3.195 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000163787915 1425044499 /nfs/dbraw/zinc/04/44/99/1425044499.db2.gz WBLWBKDPSRFDSR-QGZVFWFLSA-N 2 2 386.565 3.398 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163814446 1425046719 /nfs/dbraw/zinc/04/67/19/1425046719.db2.gz YUSIGQDSVWTEIQ-KRWDZBQOSA-N 2 2 378.476 3.190 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163814566 1425047388 /nfs/dbraw/zinc/04/73/88/1425047388.db2.gz YUSIGQDSVWTEIQ-QGZVFWFLSA-N 2 2 378.476 3.190 20 0 GGADLP COc1cc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)ccc1S(=O)(=O)C(F)F ZINC000163832604 1425048672 /nfs/dbraw/zinc/04/86/72/1425048672.db2.gz LELUBZIXKRSHIA-ZDUSSCGKSA-N 2 2 399.463 3.239 20 0 GGADLP COc1cc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)ccc1S(=O)(=O)C(F)F ZINC000163832707 1425048954 /nfs/dbraw/zinc/04/89/54/1425048954.db2.gz LELUBZIXKRSHIA-CYBMUJFWSA-N 2 2 399.463 3.239 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000163872194 1425053131 /nfs/dbraw/zinc/05/31/31/1425053131.db2.gz LMRFRMSVUXZAAS-NQIIRXRSSA-N 2 2 393.535 3.002 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000163872194 1425053137 /nfs/dbraw/zinc/05/31/37/1425053137.db2.gz LMRFRMSVUXZAAS-NQIIRXRSSA-N 2 2 393.535 3.002 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000163956415 1425061531 /nfs/dbraw/zinc/06/15/31/1425061531.db2.gz IASXTMHNXNURHP-QGZVFWFLSA-N 2 2 386.565 3.398 20 0 GGADLP CC(C)(C)OC(=O)N1CC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000164018828 1425068753 /nfs/dbraw/zinc/06/87/53/1425068753.db2.gz ICWNMYIIBGRFDX-UHFFFAOYSA-N 2 2 377.504 3.042 20 0 GGADLP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000164866785 1425148380 /nfs/dbraw/zinc/14/83/80/1425148380.db2.gz ITEIAUDJXPTLAK-HXUWFJFHSA-N 2 2 393.597 3.002 20 0 GGADLP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000164866785 1425148389 /nfs/dbraw/zinc/14/83/89/1425148389.db2.gz ITEIAUDJXPTLAK-HXUWFJFHSA-N 2 2 393.597 3.002 20 0 GGADLP COc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000165538781 1425184317 /nfs/dbraw/zinc/18/43/17/1425184317.db2.gz XHONCICJQOVJGC-SFTDATJTSA-N 2 2 388.556 3.496 20 0 GGADLP COc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000165538781 1425184323 /nfs/dbraw/zinc/18/43/23/1425184323.db2.gz XHONCICJQOVJGC-SFTDATJTSA-N 2 2 388.556 3.496 20 0 GGADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165538519 1425184649 /nfs/dbraw/zinc/18/46/49/1425184649.db2.gz DFILWDDVRPNRNP-YADHBBJMSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165538519 1425184658 /nfs/dbraw/zinc/18/46/58/1425184658.db2.gz DFILWDDVRPNRNP-YADHBBJMSA-N 2 2 386.584 3.474 20 0 GGADLP COc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000165538651 1425185170 /nfs/dbraw/zinc/18/51/70/1425185170.db2.gz XHONCICJQOVJGC-RTWAWAEBSA-N 2 2 388.556 3.496 20 0 GGADLP COc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000165538651 1425185183 /nfs/dbraw/zinc/18/51/83/1425185183.db2.gz XHONCICJQOVJGC-RTWAWAEBSA-N 2 2 388.556 3.496 20 0 GGADLP Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000167069220 1425221272 /nfs/dbraw/zinc/22/12/72/1425221272.db2.gz GIROJLWAXXYFCM-ROUUACIJSA-N 2 2 399.626 3.014 20 0 GGADLP Cc1ccc(S(=O)(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000167069220 1425221289 /nfs/dbraw/zinc/22/12/89/1425221289.db2.gz GIROJLWAXXYFCM-ROUUACIJSA-N 2 2 399.626 3.014 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCCC2)c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000167827544 1425232434 /nfs/dbraw/zinc/23/24/34/1425232434.db2.gz BTZSJYDDOWDQSH-UHFFFAOYSA-N 2 2 392.547 3.400 20 0 GGADLP Oc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000167907259 1425233910 /nfs/dbraw/zinc/23/39/10/1425233910.db2.gz CQAJMUXEZYPCEZ-FQEVSTJZSA-N 2 2 377.960 3.474 20 0 GGADLP Oc1ccc(Cl)cc1C[N@H+]1CCC[C@H](NC2CC[NH+](CC3CC3)CC2)C1 ZINC000167907259 1425233918 /nfs/dbraw/zinc/23/39/18/1425233918.db2.gz CQAJMUXEZYPCEZ-FQEVSTJZSA-N 2 2 377.960 3.474 20 0 GGADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000168949700 1425240536 /nfs/dbraw/zinc/24/05/36/1425240536.db2.gz GAVXOSDHSVOHKH-MSOLQXFVSA-N 2 2 377.410 3.096 20 0 GGADLP [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000168949700 1425240552 /nfs/dbraw/zinc/24/05/52/1425240552.db2.gz GAVXOSDHSVOHKH-MSOLQXFVSA-N 2 2 377.410 3.096 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000169246367 1425244506 /nfs/dbraw/zinc/24/45/06/1425244506.db2.gz ZYXBLYGHKVLMDV-AVRDEDQJSA-N 2 2 380.536 3.483 20 0 GGADLP Cc1ccc([C@H](CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[NH+]2CCCC2)o1 ZINC000170633670 1425267595 /nfs/dbraw/zinc/26/75/95/1425267595.db2.gz KWGWCOPFDBDNOQ-FQEVSTJZSA-N 2 2 396.535 3.461 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[NH+]2CCCC2)o1 ZINC000170633672 1425267998 /nfs/dbraw/zinc/26/79/98/1425267998.db2.gz KWGWCOPFDBDNOQ-HXUWFJFHSA-N 2 2 396.535 3.461 20 0 GGADLP O=C(CCCC[NH+]1CCOCC1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000170685011 1425297821 /nfs/dbraw/zinc/29/78/21/1425297821.db2.gz KEWNNMQAIBUVNV-HXUWFJFHSA-N 2 2 393.959 3.096 20 0 GGADLP Cc1nc(C[NH+]2CCC(C(=O)NC[C@@H](c3cccs3)[NH+](C)C)CC2)cs1 ZINC000170693242 1425303150 /nfs/dbraw/zinc/30/31/50/1425303150.db2.gz QGMWVZLLDKNLLE-KRWDZBQOSA-N 2 2 392.594 3.144 20 0 GGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000170780185 1425340274 /nfs/dbraw/zinc/34/02/74/1425340274.db2.gz WYHVSCGKCHXZED-IRXDYDNUSA-N 2 2 393.959 3.408 20 0 GGADLP C[C@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000170919575 1425392457 /nfs/dbraw/zinc/39/24/57/1425392457.db2.gz KKIYLVFMICHREC-AVRDEDQJSA-N 2 2 378.520 3.250 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[NH+]2CCCC2)o1 ZINC000171239604 1425560448 /nfs/dbraw/zinc/56/04/48/1425560448.db2.gz SIYRVJIBJAYCLQ-FQEVSTJZSA-N 2 2 393.491 3.410 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(F)c1 ZINC000171305666 1425605614 /nfs/dbraw/zinc/60/56/14/1425605614.db2.gz GMXFMMSFNHWRNP-KURKYZTESA-N 2 2 391.531 3.282 20 0 GGADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)c1 ZINC000171586925 1425747353 /nfs/dbraw/zinc/74/73/53/1425747353.db2.gz HPAVAFOTIQXPJX-GOSISDBHSA-N 2 2 381.520 3.276 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc2ccccc2c1 ZINC000171636991 1425768263 /nfs/dbraw/zinc/76/82/63/1425768263.db2.gz BRCGENISQSWKII-UHFFFAOYSA-N 2 2 382.552 3.050 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc2ccccc2c1 ZINC000171636991 1425768267 /nfs/dbraw/zinc/76/82/67/1425768267.db2.gz BRCGENISQSWKII-UHFFFAOYSA-N 2 2 382.552 3.050 20 0 GGADLP C[NH+](C)[C@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000171810664 1425826209 /nfs/dbraw/zinc/82/62/09/1425826209.db2.gz GIYHCFLVDKEHHU-MAUKXSAKSA-N 2 2 389.931 3.054 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000172555834 1426084714 /nfs/dbraw/zinc/08/47/14/1426084714.db2.gz MYYPJJBRWVHMPV-FQEVSTJZSA-N 2 2 392.547 3.339 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000172555834 1426084723 /nfs/dbraw/zinc/08/47/23/1426084723.db2.gz MYYPJJBRWVHMPV-FQEVSTJZSA-N 2 2 392.547 3.339 20 0 GGADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000172749723 1426172806 /nfs/dbraw/zinc/17/28/06/1426172806.db2.gz WSSIVUILFHSBER-RTBURBONSA-N 2 2 391.506 3.135 20 0 GGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000172768446 1426179078 /nfs/dbraw/zinc/17/90/78/1426179078.db2.gz XOJZZWHWLMLEQG-IBGZPJMESA-N 2 2 385.581 3.189 20 0 GGADLP Cc1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000172768446 1426179082 /nfs/dbraw/zinc/17/90/82/1426179082.db2.gz XOJZZWHWLMLEQG-IBGZPJMESA-N 2 2 385.581 3.189 20 0 GGADLP CC[C@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172928808 1426268585 /nfs/dbraw/zinc/26/85/85/1426268585.db2.gz HCSQSDWASCUCRL-HSZRJFAPSA-N 2 2 395.547 3.410 20 0 GGADLP CC[C@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172928808 1426268594 /nfs/dbraw/zinc/26/85/94/1426268594.db2.gz HCSQSDWASCUCRL-HSZRJFAPSA-N 2 2 395.547 3.410 20 0 GGADLP CC[C@@H](Cc1ccccc1)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172928802 1426268634 /nfs/dbraw/zinc/26/86/34/1426268634.db2.gz HCSQSDWASCUCRL-QHCPKHFHSA-N 2 2 395.547 3.410 20 0 GGADLP CC[C@@H](Cc1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172928802 1426268642 /nfs/dbraw/zinc/26/86/42/1426268642.db2.gz HCSQSDWASCUCRL-QHCPKHFHSA-N 2 2 395.547 3.410 20 0 GGADLP C[C@H](CCc1ccccc1F)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172929694 1426269342 /nfs/dbraw/zinc/26/93/42/1426269342.db2.gz PEPHPVRJAQICHR-QGZVFWFLSA-N 2 2 375.532 3.069 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000173207334 1426394411 /nfs/dbraw/zinc/39/44/11/1426394411.db2.gz HLLAQYFYYICSNM-WOJBJXKFSA-N 2 2 395.595 3.480 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000173207320 1426394455 /nfs/dbraw/zinc/39/44/55/1426394455.db2.gz HLLAQYFYYICSNM-PMACEKPBSA-N 2 2 395.595 3.480 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000173207307 1426394787 /nfs/dbraw/zinc/39/47/87/1426394787.db2.gz HLLAQYFYYICSNM-BGYRXZFFSA-N 2 2 395.595 3.480 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000173207307 1426394793 /nfs/dbraw/zinc/39/47/93/1426394793.db2.gz HLLAQYFYYICSNM-BGYRXZFFSA-N 2 2 395.595 3.480 20 0 GGADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173370267 1426543556 /nfs/dbraw/zinc/54/35/56/1426543556.db2.gz FNYUTIOXSXFIBB-SFHVURJKSA-N 2 2 390.434 3.317 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3nccs3)CC2)cc1 ZINC000173419490 1426602695 /nfs/dbraw/zinc/60/26/95/1426602695.db2.gz OIWAKTHHRJBBJW-UHFFFAOYSA-N 2 2 386.565 3.011 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+]C(C)(C)c3nccs3)CC2)cc1 ZINC000173419490 1426602700 /nfs/dbraw/zinc/60/27/00/1426602700.db2.gz OIWAKTHHRJBBJW-UHFFFAOYSA-N 2 2 386.565 3.011 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000173429618 1426611307 /nfs/dbraw/zinc/61/13/07/1426611307.db2.gz ZCZRMUVUPLHJMB-SFHVURJKSA-N 2 2 377.920 3.227 20 0 GGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cc(Br)cn1 ZINC000173513088 1426683029 /nfs/dbraw/zinc/68/30/29/1426683029.db2.gz HWKKGGOYIZXSPJ-UHFFFAOYSA-N 2 2 378.318 3.237 20 0 GGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1cc(Br)cn1 ZINC000173513088 1426683035 /nfs/dbraw/zinc/68/30/35/1426683035.db2.gz HWKKGGOYIZXSPJ-UHFFFAOYSA-N 2 2 378.318 3.237 20 0 GGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1c2cc(C)ccc2oc1=O ZINC000173512952 1426683247 /nfs/dbraw/zinc/68/32/47/1426683247.db2.gz ACAMFBGTERWFPU-UHFFFAOYSA-N 2 2 380.492 3.494 20 0 GGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)Cn1c2cc(C)ccc2oc1=O ZINC000173512952 1426683257 /nfs/dbraw/zinc/68/32/57/1426683257.db2.gz ACAMFBGTERWFPU-UHFFFAOYSA-N 2 2 380.492 3.494 20 0 GGADLP C(=C/C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)\C[NH+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173602973 1426774300 /nfs/dbraw/zinc/77/43/00/1426774300.db2.gz IDIBDCILPUSWHZ-XMUPPXAMSA-N 4 2 388.644 3.158 20 0 GGADLP C(=C/C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)\C[NH+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173602973 1426774325 /nfs/dbraw/zinc/77/43/25/1426774325.db2.gz IDIBDCILPUSWHZ-XMUPPXAMSA-N 4 2 388.644 3.158 20 0 GGADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173769093 1426845132 /nfs/dbraw/zinc/84/51/32/1426845132.db2.gz TXWYJYDVAYNZCF-YJBOKZPZSA-N 2 2 383.458 3.040 20 0 GGADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173769093 1426845133 /nfs/dbraw/zinc/84/51/33/1426845133.db2.gz TXWYJYDVAYNZCF-YJBOKZPZSA-N 2 2 383.458 3.040 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000173911069 1426889095 /nfs/dbraw/zinc/88/90/95/1426889095.db2.gz BHPFOSRPDGAKIT-HUUCEWRRSA-N 2 2 387.597 3.214 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000173911069 1426889099 /nfs/dbraw/zinc/88/90/99/1426889099.db2.gz BHPFOSRPDGAKIT-HUUCEWRRSA-N 2 2 387.597 3.214 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000173911069 1426889104 /nfs/dbraw/zinc/88/91/04/1426889104.db2.gz BHPFOSRPDGAKIT-HUUCEWRRSA-N 2 2 387.597 3.214 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000173911069 1426889107 /nfs/dbraw/zinc/88/91/07/1426889107.db2.gz BHPFOSRPDGAKIT-HUUCEWRRSA-N 2 2 387.597 3.214 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccc(C[NH+]3CC[C@H](C[N@@H+](C)CC)C3)cc2)C1 ZINC000173921861 1426892620 /nfs/dbraw/zinc/89/26/20/1426892620.db2.gz HJADEWMYNFNGKX-PSWAGMNNSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccc(C[NH+]3CC[C@H](C[N@H+](C)CC)C3)cc2)C1 ZINC000173921861 1426892622 /nfs/dbraw/zinc/89/26/22/1426892622.db2.gz HJADEWMYNFNGKX-PSWAGMNNSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@@H](C[NH+](C)CC)C3)cc2)C1 ZINC000173921861 1426892628 /nfs/dbraw/zinc/89/26/28/1426892628.db2.gz HJADEWMYNFNGKX-PSWAGMNNSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@@H](C[NH+](C)CC)C3)cc2)C1 ZINC000173921861 1426892630 /nfs/dbraw/zinc/89/26/30/1426892630.db2.gz HJADEWMYNFNGKX-PSWAGMNNSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2ccc(C[NH+]3CC[C@H](C[N@@H+](C)CC)C3)cc2)C1 ZINC000173921875 1426892744 /nfs/dbraw/zinc/89/27/44/1426892744.db2.gz HJADEWMYNFNGKX-DNQXCXABSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2ccc(C[NH+]3CC[C@H](C[N@H+](C)CC)C3)cc2)C1 ZINC000173921875 1426892749 /nfs/dbraw/zinc/89/27/49/1426892749.db2.gz HJADEWMYNFNGKX-DNQXCXABSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](C[NH+](C)CC)C3)cc2)C1 ZINC000173921875 1426892750 /nfs/dbraw/zinc/89/27/50/1426892750.db2.gz HJADEWMYNFNGKX-DNQXCXABSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](C[NH+](C)CC)C3)cc2)C1 ZINC000173921875 1426892754 /nfs/dbraw/zinc/89/27/54/1426892754.db2.gz HJADEWMYNFNGKX-DNQXCXABSA-N 4 2 386.628 3.234 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962228 1426911803 /nfs/dbraw/zinc/91/18/03/1426911803.db2.gz WBKJGASUDGHIFL-OAHLLOKOSA-N 2 2 397.922 3.383 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173962211 1426911991 /nfs/dbraw/zinc/91/19/91/1426911991.db2.gz WBKJGASUDGHIFL-HNNXBMFYSA-N 2 2 397.922 3.383 20 0 GGADLP CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971314 1426916235 /nfs/dbraw/zinc/91/62/35/1426916235.db2.gz LYQHWOMWXYYGQP-UHFFFAOYSA-N 2 2 382.508 3.267 20 0 GGADLP CC[N@H+](CC(=O)Nc1ccc(OC)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971314 1426916245 /nfs/dbraw/zinc/91/62/45/1426916245.db2.gz LYQHWOMWXYYGQP-UHFFFAOYSA-N 2 2 382.508 3.267 20 0 GGADLP CC[N@H+](CCc1nc2ccccc2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972276 1426917512 /nfs/dbraw/zinc/91/75/12/1426917512.db2.gz WYAQWPLMCYDGFK-UHFFFAOYSA-N 2 2 391.519 3.099 20 0 GGADLP CC[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972276 1426917516 /nfs/dbraw/zinc/91/75/16/1426917516.db2.gz WYAQWPLMCYDGFK-UHFFFAOYSA-N 2 2 391.519 3.099 20 0 GGADLP C[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973867 1426919100 /nfs/dbraw/zinc/91/91/00/1426919100.db2.gz WNDRAKWEXIKYGS-SFHVURJKSA-N 2 2 378.472 3.453 20 0 GGADLP C[N@H+](Cc1cc(=O)oc2cc(O)ccc12)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973867 1426919111 /nfs/dbraw/zinc/91/91/11/1426919111.db2.gz WNDRAKWEXIKYGS-SFHVURJKSA-N 2 2 378.472 3.453 20 0 GGADLP C[NH+](Cc1cc(=O)oc2cc(O)ccc12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173973867 1426919128 /nfs/dbraw/zinc/91/91/28/1426919128.db2.gz WNDRAKWEXIKYGS-SFHVURJKSA-N 2 2 378.472 3.453 20 0 GGADLP C[NH+](Cc1cc(=O)oc2cc(O)ccc12)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173973867 1426919133 /nfs/dbraw/zinc/91/91/33/1426919133.db2.gz WNDRAKWEXIKYGS-SFHVURJKSA-N 2 2 378.472 3.453 20 0 GGADLP Cc1csc2nc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)n12 ZINC000173974693 1426920369 /nfs/dbraw/zinc/92/03/69/1426920369.db2.gz LPZVYPHTFHGGHN-SFHVURJKSA-N 2 2 382.533 3.018 20 0 GGADLP Cc1csc2nc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)n12 ZINC000173974693 1426920372 /nfs/dbraw/zinc/92/03/72/1426920372.db2.gz LPZVYPHTFHGGHN-SFHVURJKSA-N 2 2 382.533 3.018 20 0 GGADLP Cc1csc2nc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc(=O)n12 ZINC000173974693 1426920374 /nfs/dbraw/zinc/92/03/74/1426920374.db2.gz LPZVYPHTFHGGHN-SFHVURJKSA-N 2 2 382.533 3.018 20 0 GGADLP Cc1csc2nc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc(=O)n12 ZINC000173974693 1426920376 /nfs/dbraw/zinc/92/03/76/1426920376.db2.gz LPZVYPHTFHGGHN-SFHVURJKSA-N 2 2 382.533 3.018 20 0 GGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174044261 1426967151 /nfs/dbraw/zinc/96/71/51/1426967151.db2.gz KFGMNUCLQYGNJU-RXVVDRJESA-N 2 2 396.510 3.343 20 0 GGADLP C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174044261 1426967154 /nfs/dbraw/zinc/96/71/54/1426967154.db2.gz KFGMNUCLQYGNJU-RXVVDRJESA-N 2 2 396.510 3.343 20 0 GGADLP O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174103076 1427003451 /nfs/dbraw/zinc/00/34/51/1427003451.db2.gz DYVDMZIIQGQEIE-UHFFFAOYSA-N 2 2 379.504 3.334 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000174239338 1427064723 /nfs/dbraw/zinc/06/47/23/1427064723.db2.gz TXZBQSVIGSSTFP-UHFFFAOYSA-N 2 2 379.932 3.164 20 0 GGADLP CCCn1c(C)cc(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000174240664 1427064791 /nfs/dbraw/zinc/06/47/91/1427064791.db2.gz OUZOELRBSIXVJO-UHFFFAOYSA-N 2 2 375.557 3.274 20 0 GGADLP CC(C)[C@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)[NH+]1CCCCC1 ZINC000174282765 1427084299 /nfs/dbraw/zinc/08/42/99/1427084299.db2.gz CBRSINQYGZQMPV-JOCHJYFZSA-N 2 2 386.584 3.348 20 0 GGADLP CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000174294584 1427088997 /nfs/dbraw/zinc/08/89/97/1427088997.db2.gz ULOHUWZDROXLRX-CQSZACIVSA-N 2 2 395.569 3.277 20 0 GGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000174295745 1427089634 /nfs/dbraw/zinc/08/96/34/1427089634.db2.gz NZSJUQMNLVFZRF-GOSISDBHSA-N 2 2 381.467 3.246 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000174302095 1427092270 /nfs/dbraw/zinc/09/22/70/1427092270.db2.gz SMTCFSBWVGALOA-QZTJIDSGSA-N 2 2 383.536 3.106 20 0 GGADLP CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000174341112 1427110855 /nfs/dbraw/zinc/11/08/55/1427110855.db2.gz AXNKCHVLYJSTGG-PMACEKPBSA-N 2 2 391.581 3.063 20 0 GGADLP CCS[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000174341112 1427110859 /nfs/dbraw/zinc/11/08/59/1427110859.db2.gz AXNKCHVLYJSTGG-PMACEKPBSA-N 2 2 391.581 3.063 20 0 GGADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(F)c1 ZINC000174404088 1427141789 /nfs/dbraw/zinc/14/17/89/1427141789.db2.gz AMJQFTZTGHUOIC-KRWDZBQOSA-N 2 2 375.532 3.069 20 0 GGADLP C[N@@H+](CC(=O)N1CCc2ccccc2C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405234 1427143104 /nfs/dbraw/zinc/14/31/04/1427143104.db2.gz QNHFLLCEEBDAFZ-OAQYLSRUSA-N 2 2 377.532 3.025 20 0 GGADLP C[N@H+](CC(=O)N1CCc2ccccc2C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174405234 1427143114 /nfs/dbraw/zinc/14/31/14/1427143114.db2.gz QNHFLLCEEBDAFZ-OAQYLSRUSA-N 2 2 377.532 3.025 20 0 GGADLP C[NH+](CC(=O)N1CCc2ccccc2C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174405234 1427143121 /nfs/dbraw/zinc/14/31/21/1427143121.db2.gz QNHFLLCEEBDAFZ-OAQYLSRUSA-N 2 2 377.532 3.025 20 0 GGADLP C[NH+](CC(=O)N1CCc2ccccc2C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174405234 1427143124 /nfs/dbraw/zinc/14/31/24/1427143124.db2.gz QNHFLLCEEBDAFZ-OAQYLSRUSA-N 2 2 377.532 3.025 20 0 GGADLP COc1cccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174404450 1427143405 /nfs/dbraw/zinc/14/34/05/1427143405.db2.gz XOFRUYWULGWZMT-JOCHJYFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1cccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174404450 1427143414 /nfs/dbraw/zinc/14/34/14/1427143414.db2.gz XOFRUYWULGWZMT-JOCHJYFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1cccc(CN(C)C(=O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174404450 1427143416 /nfs/dbraw/zinc/14/34/16/1427143416.db2.gz XOFRUYWULGWZMT-JOCHJYFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1cccc(CN(C)C(=O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174404450 1427143424 /nfs/dbraw/zinc/14/34/24/1427143424.db2.gz XOFRUYWULGWZMT-JOCHJYFZSA-N 2 2 395.547 3.108 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174409647 1427145453 /nfs/dbraw/zinc/14/54/53/1427145453.db2.gz XSCMTLNPLLKQAX-IBGZPJMESA-N 2 2 382.932 3.098 20 0 GGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000174415542 1427148177 /nfs/dbraw/zinc/14/81/77/1427148177.db2.gz UTGHPJKPQJGDER-FQEVSTJZSA-N 2 2 396.959 3.488 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174677464 1427304288 /nfs/dbraw/zinc/30/42/88/1427304288.db2.gz OXBMTPPIIZZOCV-HDICACEKSA-N 2 2 393.597 3.309 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000174677464 1427304294 /nfs/dbraw/zinc/30/42/94/1427304294.db2.gz OXBMTPPIIZZOCV-HDICACEKSA-N 2 2 393.597 3.309 20 0 GGADLP CCOc1ccc(-c2nc(C[N@H+](C)CCCN3CC[NH+](C)CC3)cs2)cc1 ZINC000174729535 1427335479 /nfs/dbraw/zinc/33/54/79/1427335479.db2.gz YATSDLAKPCRLMQ-UHFFFAOYSA-N 2 2 388.581 3.278 20 0 GGADLP CCOc1ccc(-c2nc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cs2)cc1 ZINC000174729535 1427335484 /nfs/dbraw/zinc/33/54/84/1427335484.db2.gz YATSDLAKPCRLMQ-UHFFFAOYSA-N 2 2 388.581 3.278 20 0 GGADLP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174780748 1427363328 /nfs/dbraw/zinc/36/33/28/1427363328.db2.gz TUECYAQBRNAMPV-KRWDZBQOSA-N 2 2 377.492 3.494 20 0 GGADLP CC[NH+](CC)[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1ccccc1 ZINC000175104276 1427548801 /nfs/dbraw/zinc/54/88/01/1427548801.db2.gz LHEPNSMXHUFNON-OAQYLSRUSA-N 2 2 382.508 3.208 20 0 GGADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000175212639 1427604498 /nfs/dbraw/zinc/60/44/98/1427604498.db2.gz AXWDNDBBCYFFGM-QWFCFKBJSA-N 2 2 388.556 3.244 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ncc(C(C)(C)C)o3)CC2)CC1 ZINC000175218131 1427609438 /nfs/dbraw/zinc/60/94/38/1427609438.db2.gz FGPUDOJBBGBCMQ-QGZVFWFLSA-N 2 2 390.572 3.299 20 0 GGADLP Cc1cnc([C@@H](C)[NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000175238236 1427619720 /nfs/dbraw/zinc/61/97/20/1427619720.db2.gz PRQFKOAOWFMUBC-IAGOWNOFSA-N 2 2 386.565 3.271 20 0 GGADLP C[C@H]1C[C@H](NC(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000175393282 1427728332 /nfs/dbraw/zinc/72/83/32/1427728332.db2.gz CKHIZAVAZJWEEC-AZUAARDMSA-N 2 2 381.524 3.236 20 0 GGADLP C[C@H]1C[C@H](NC(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000175393282 1427728339 /nfs/dbraw/zinc/72/83/39/1427728339.db2.gz CKHIZAVAZJWEEC-AZUAARDMSA-N 2 2 381.524 3.236 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000175480585 1427778067 /nfs/dbraw/zinc/77/80/67/1427778067.db2.gz HNTISHGLWIZZAY-LJQANCHMSA-N 2 2 387.572 3.061 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000175480585 1427778078 /nfs/dbraw/zinc/77/80/78/1427778078.db2.gz HNTISHGLWIZZAY-LJQANCHMSA-N 2 2 387.572 3.061 20 0 GGADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000175629423 1427837930 /nfs/dbraw/zinc/83/79/30/1427837930.db2.gz VUHJKVUMMJCUIP-KDURUIRLSA-N 2 2 398.551 3.290 20 0 GGADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000175629423 1427837932 /nfs/dbraw/zinc/83/79/32/1427837932.db2.gz VUHJKVUMMJCUIP-KDURUIRLSA-N 2 2 398.551 3.290 20 0 GGADLP Cc1cc(C)cc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000175783883 1427891321 /nfs/dbraw/zinc/89/13/21/1427891321.db2.gz QENYWCPNLOQZLL-HSZRJFAPSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1cc(C)cc(OC[C@H](O)C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000175783883 1427891325 /nfs/dbraw/zinc/89/13/25/1427891325.db2.gz QENYWCPNLOQZLL-HSZRJFAPSA-N 2 2 397.563 3.077 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2)c1 ZINC000176088786 1428075680 /nfs/dbraw/zinc/07/56/80/1428075680.db2.gz GNHJMHPTANPQOC-ROUUACIJSA-N 2 2 390.572 3.060 20 0 GGADLP CC[C@@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000176218134 1428173826 /nfs/dbraw/zinc/17/38/26/1428173826.db2.gz UEZIJWDOSZDQSM-LJQANCHMSA-N 2 2 393.959 3.172 20 0 GGADLP CC(C)[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000180173981 1429780435 /nfs/dbraw/zinc/78/04/35/1429780435.db2.gz JDJFJLVLFZRFQB-REWPJTCUSA-N 2 2 395.551 3.269 20 0 GGADLP CC(C)[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000180173946 1429781415 /nfs/dbraw/zinc/78/14/15/1429781415.db2.gz JDJFJLVLFZRFQB-OFNKIYASSA-N 2 2 395.551 3.269 20 0 GGADLP O=C1C[C@@H](C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CN1Cc1ccccc1 ZINC000180181101 1429786205 /nfs/dbraw/zinc/78/62/05/1429786205.db2.gz OYASCTGAVBLQHG-KRWDZBQOSA-N 2 2 383.458 3.042 20 0 GGADLP Cc1cccc(C2=CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)c1 ZINC000180344931 1429841090 /nfs/dbraw/zinc/84/10/90/1429841090.db2.gz FYEZRZKHHQMXAQ-UHFFFAOYSA-N 2 2 396.579 3.352 20 0 GGADLP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1S(=O)(=O)C(F)F ZINC000180403835 1429858594 /nfs/dbraw/zinc/85/85/94/1429858594.db2.gz XJOAXJNNMOKVFX-CYBMUJFWSA-N 2 2 390.496 3.215 20 0 GGADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000180455372 1429873230 /nfs/dbraw/zinc/87/32/30/1429873230.db2.gz QGSUBITWDNDHNZ-GOSISDBHSA-N 2 2 377.492 3.192 20 0 GGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000180455372 1429873231 /nfs/dbraw/zinc/87/32/31/1429873231.db2.gz QGSUBITWDNDHNZ-GOSISDBHSA-N 2 2 377.492 3.192 20 0 GGADLP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000180683263 1429974757 /nfs/dbraw/zinc/97/47/57/1429974757.db2.gz SFHFGAHUTNHKHZ-ROUUACIJSA-N 2 2 376.545 3.100 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2ccncc2)C2CC2)CC1 ZINC000180750918 1430017472 /nfs/dbraw/zinc/01/74/72/1430017472.db2.gz WIVDBUMMWSFLCL-UHFFFAOYSA-N 2 2 392.547 3.089 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](Cc2ccncc2)C2CC2)CC1 ZINC000180750918 1430017478 /nfs/dbraw/zinc/01/74/78/1430017478.db2.gz WIVDBUMMWSFLCL-UHFFFAOYSA-N 2 2 392.547 3.089 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2ccncc2)C2CC2)CC1 ZINC000180750918 1430017484 /nfs/dbraw/zinc/01/74/84/1430017484.db2.gz WIVDBUMMWSFLCL-UHFFFAOYSA-N 2 2 392.547 3.089 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2ccncc2)C2CC2)CC1 ZINC000180750918 1430017490 /nfs/dbraw/zinc/01/74/90/1430017490.db2.gz WIVDBUMMWSFLCL-UHFFFAOYSA-N 2 2 392.547 3.089 20 0 GGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(C)c1 ZINC000180779567 1430034153 /nfs/dbraw/zinc/03/41/53/1430034153.db2.gz FZMAFWRCHAPXSR-PMACEKPBSA-N 2 2 395.551 3.250 20 0 GGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(C)c1 ZINC000180779550 1430034698 /nfs/dbraw/zinc/03/46/98/1430034698.db2.gz FZMAFWRCHAPXSR-UXHICEINSA-N 2 2 395.551 3.250 20 0 GGADLP Cc1cc(C)cc(C2=CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)c1 ZINC000180781462 1430035778 /nfs/dbraw/zinc/03/57/78/1430035778.db2.gz WMCYRSAIKAHMCX-UHFFFAOYSA-N 2 2 377.536 3.135 20 0 GGADLP Cc1cc(C)cc(C2=CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)c1 ZINC000180781462 1430035786 /nfs/dbraw/zinc/03/57/86/1430035786.db2.gz WMCYRSAIKAHMCX-UHFFFAOYSA-N 2 2 377.536 3.135 20 0 GGADLP CCc1ccc(C2=CC[N@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)cc1 ZINC000180784406 1430037703 /nfs/dbraw/zinc/03/77/03/1430037703.db2.gz YRHFOXFTAJJBNA-UHFFFAOYSA-N 2 2 377.536 3.080 20 0 GGADLP CCc1ccc(C2=CC[N@@H+](Cc3cnc(N4CC[NH+](C)CC4)nc3)CC2)cc1 ZINC000180784406 1430037709 /nfs/dbraw/zinc/03/77/09/1430037709.db2.gz YRHFOXFTAJJBNA-UHFFFAOYSA-N 2 2 377.536 3.080 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180785912 1430039088 /nfs/dbraw/zinc/03/90/88/1430039088.db2.gz KMKIEBSNHHPUTJ-XLIONFOSSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180785912 1430039094 /nfs/dbraw/zinc/03/90/94/1430039094.db2.gz KMKIEBSNHHPUTJ-XLIONFOSSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180785912 1430039105 /nfs/dbraw/zinc/03/91/05/1430039105.db2.gz KMKIEBSNHHPUTJ-XLIONFOSSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180785912 1430039114 /nfs/dbraw/zinc/03/91/14/1430039114.db2.gz KMKIEBSNHHPUTJ-XLIONFOSSA-N 2 2 394.519 3.297 20 0 GGADLP Clc1nc2ccccn2c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180796276 1430044840 /nfs/dbraw/zinc/04/48/40/1430044840.db2.gz MSNMQBCFZXAHDI-UHFFFAOYSA-N 2 2 376.932 3.312 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccn2)C2CC2)CC1 ZINC000180863671 1430075071 /nfs/dbraw/zinc/07/50/71/1430075071.db2.gz BTGIIEVOLBSVPC-UHFFFAOYSA-N 2 2 392.547 3.135 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccn2)C2CC2)CC1 ZINC000180863671 1430075075 /nfs/dbraw/zinc/07/50/75/1430075075.db2.gz BTGIIEVOLBSVPC-UHFFFAOYSA-N 2 2 392.547 3.135 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000180901261 1430098357 /nfs/dbraw/zinc/09/83/57/1430098357.db2.gz SAQGKTJVHDJJPA-XMMPIXPASA-N 2 2 398.595 3.138 20 0 GGADLP COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000180916875 1430112214 /nfs/dbraw/zinc/11/22/14/1430112214.db2.gz LQYXVMAHYIRYMU-JTSKRJEESA-N 2 2 390.487 3.333 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181003256 1430162243 /nfs/dbraw/zinc/16/22/43/1430162243.db2.gz CZYHCHNCWVOZHI-LPHOPBHVSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000181003256 1430162248 /nfs/dbraw/zinc/16/22/48/1430162248.db2.gz CZYHCHNCWVOZHI-LPHOPBHVSA-N 2 2 381.499 3.150 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c1C ZINC000181068293 1430196349 /nfs/dbraw/zinc/19/63/49/1430196349.db2.gz OEWJNGLWLHASSV-QGZVFWFLSA-N 2 2 384.524 3.369 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1C ZINC000181068293 1430196354 /nfs/dbraw/zinc/19/63/54/1430196354.db2.gz OEWJNGLWLHASSV-QGZVFWFLSA-N 2 2 384.524 3.369 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000181070355 1430196872 /nfs/dbraw/zinc/19/68/72/1430196872.db2.gz LQSSOODGXHKSLD-KRWDZBQOSA-N 2 2 378.423 3.002 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000181070355 1430196877 /nfs/dbraw/zinc/19/68/77/1430196877.db2.gz LQSSOODGXHKSLD-KRWDZBQOSA-N 2 2 378.423 3.002 20 0 GGADLP COc1ccc(-c2csc(NC(=O)[C@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181081103 1430202370 /nfs/dbraw/zinc/20/23/70/1430202370.db2.gz DMZLYXSDTVHTSC-HNNXBMFYSA-N 2 2 399.520 3.364 20 0 GGADLP COc1ccc(-c2csc(NC(=O)[C@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181081103 1430202378 /nfs/dbraw/zinc/20/23/78/1430202378.db2.gz DMZLYXSDTVHTSC-HNNXBMFYSA-N 2 2 399.520 3.364 20 0 GGADLP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000181287710 1430263580 /nfs/dbraw/zinc/26/35/80/1430263580.db2.gz KOUAOYJAROTAQX-LPHOPBHVSA-N 2 2 376.460 3.337 20 0 GGADLP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1c1c(F)cccc1F ZINC000181442731 1430300490 /nfs/dbraw/zinc/30/04/90/1430300490.db2.gz ZCKGLSZIXSAJQI-MRXNPFEDSA-N 2 2 377.479 3.457 20 0 GGADLP C[C@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1cccc(O)c1 ZINC000181494593 1430310434 /nfs/dbraw/zinc/31/04/34/1430310434.db2.gz YZIWCGGZXCHTFI-HNNXBMFYSA-N 2 2 388.537 3.370 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1)c1cccc(O)c1 ZINC000181494614 1430310493 /nfs/dbraw/zinc/31/04/93/1430310493.db2.gz YZIWCGGZXCHTFI-OAHLLOKOSA-N 2 2 388.537 3.370 20 0 GGADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000181524271 1430315149 /nfs/dbraw/zinc/31/51/49/1430315149.db2.gz QEEVCYYOUZDZSB-MOPGFXCFSA-N 2 2 381.520 3.239 20 0 GGADLP CC1(C)[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000181531814 1430316395 /nfs/dbraw/zinc/31/63/95/1430316395.db2.gz GIQIUUCGNQRQRJ-ZRBLBEILSA-N 2 2 385.596 3.378 20 0 GGADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000181571618 1430321829 /nfs/dbraw/zinc/32/18/29/1430321829.db2.gz BVNMMZGSFRGLED-IBGZPJMESA-N 2 2 376.570 3.039 20 0 GGADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000181571618 1430321830 /nfs/dbraw/zinc/32/18/30/1430321830.db2.gz BVNMMZGSFRGLED-IBGZPJMESA-N 2 2 376.570 3.039 20 0 GGADLP COc1cc(NCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1 ZINC000181604010 1430326617 /nfs/dbraw/zinc/32/66/17/1430326617.db2.gz GCHJOPMRJYVNRK-JTSKRJEESA-N 2 2 384.524 3.011 20 0 GGADLP COc1cc(NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1 ZINC000181604010 1430326618 /nfs/dbraw/zinc/32/66/18/1430326618.db2.gz GCHJOPMRJYVNRK-JTSKRJEESA-N 2 2 384.524 3.011 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccoc2C(=O)OC)CC1 ZINC000181640624 1430333262 /nfs/dbraw/zinc/33/32/62/1430333262.db2.gz UVAWUMIVVRBDMD-HNNXBMFYSA-N 2 2 389.471 3.198 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(C(=O)OC)co2)CC1 ZINC000181643213 1430333674 /nfs/dbraw/zinc/33/36/74/1430333674.db2.gz MKYLKMNOIVGUKT-OAHLLOKOSA-N 2 2 389.471 3.198 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181794614 1430361945 /nfs/dbraw/zinc/36/19/45/1430361945.db2.gz VUXVQUCRAUXJBP-MOPGFXCFSA-N 2 2 380.536 3.075 20 0 GGADLP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccn1 ZINC000181813228 1430365763 /nfs/dbraw/zinc/36/57/63/1430365763.db2.gz PEBQOJKISYZBSU-JXFKEZNVSA-N 2 2 386.927 3.339 20 0 GGADLP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccn1 ZINC000181813284 1430365797 /nfs/dbraw/zinc/36/57/97/1430365797.db2.gz PEBQOJKISYZBSU-OXQOHEQNSA-N 2 2 386.927 3.339 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(SC(C)(C)C)c1 ZINC000181881843 1430377074 /nfs/dbraw/zinc/37/70/74/1430377074.db2.gz PDUAOHGGKBBMRV-UHFFFAOYSA-N 2 2 378.586 3.070 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccnc(SC(C)(C)C)c1 ZINC000181881843 1430377076 /nfs/dbraw/zinc/37/70/76/1430377076.db2.gz PDUAOHGGKBBMRV-UHFFFAOYSA-N 2 2 378.586 3.070 20 0 GGADLP C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000181953496 1430387976 /nfs/dbraw/zinc/38/79/76/1430387976.db2.gz YWTPLSAPLHEKSN-XYJFISCASA-N 2 2 387.474 3.395 20 0 GGADLP C[C@H]([NH2+][C@@H](C)c1cccc(F)c1F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181953496 1430387980 /nfs/dbraw/zinc/38/79/80/1430387980.db2.gz YWTPLSAPLHEKSN-XYJFISCASA-N 2 2 387.474 3.395 20 0 GGADLP COc1ccc([C@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1F ZINC000181998934 1430394161 /nfs/dbraw/zinc/39/41/61/1430394161.db2.gz JZQDSESNHJGIBL-ZDUSSCGKSA-N 2 2 392.500 3.176 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)cc1F ZINC000181998956 1430394290 /nfs/dbraw/zinc/39/42/90/1430394290.db2.gz JZQDSESNHJGIBL-CYBMUJFWSA-N 2 2 392.500 3.176 20 0 GGADLP CN(c1ccccc1C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CC[NH+](C)CC1 ZINC000182088994 1430409844 /nfs/dbraw/zinc/40/98/44/1430409844.db2.gz UIVDXCACFURKDC-FQEVSTJZSA-N 3 2 395.595 3.405 20 0 GGADLP CN(c1ccccc1C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)C1CC[NH+](C)CC1 ZINC000182088994 1430409846 /nfs/dbraw/zinc/40/98/46/1430409846.db2.gz UIVDXCACFURKDC-FQEVSTJZSA-N 3 2 395.595 3.405 20 0 GGADLP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000182092454 1430410349 /nfs/dbraw/zinc/41/03/49/1430410349.db2.gz UJJWVVZQMBDYAE-GOSISDBHSA-N 2 2 385.508 3.043 20 0 GGADLP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1C ZINC000182092454 1430410352 /nfs/dbraw/zinc/41/03/52/1430410352.db2.gz UJJWVVZQMBDYAE-GOSISDBHSA-N 2 2 385.508 3.043 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)C[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000182095882 1430410633 /nfs/dbraw/zinc/41/06/33/1430410633.db2.gz BIZQUPSTBVVEIE-LJQANCHMSA-N 2 2 380.536 3.243 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)C[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000182095882 1430410637 /nfs/dbraw/zinc/41/06/37/1430410637.db2.gz BIZQUPSTBVVEIE-LJQANCHMSA-N 2 2 380.536 3.243 20 0 GGADLP CC(C)Sc1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000182100699 1430411717 /nfs/dbraw/zinc/41/17/17/1430411717.db2.gz GORLJIYHCGWEFV-QGZVFWFLSA-N 2 2 393.597 3.065 20 0 GGADLP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000182231982 1430434080 /nfs/dbraw/zinc/43/40/80/1430434080.db2.gz BRYKORTZAIGATI-OAQYLSRUSA-N 2 2 376.447 3.274 20 0 GGADLP Cn1cc([C@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cccc(F)c2)cn1 ZINC000182271592 1430440687 /nfs/dbraw/zinc/44/06/87/1430440687.db2.gz TYMJLEFDSCEYNB-XZOQPEGZSA-N 2 2 394.494 3.005 20 0 GGADLP Cn1cc([C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccc(F)c2)cn1 ZINC000182271592 1430440689 /nfs/dbraw/zinc/44/06/89/1430440689.db2.gz TYMJLEFDSCEYNB-XZOQPEGZSA-N 2 2 394.494 3.005 20 0 GGADLP Cn1cc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c2cccc(F)c2)cn1 ZINC000182271613 1430440843 /nfs/dbraw/zinc/44/08/43/1430440843.db2.gz TYMJLEFDSCEYNB-GOTSBHOMSA-N 2 2 394.494 3.005 20 0 GGADLP Cn1cc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c2cccc(F)c2)cn1 ZINC000182271613 1430440847 /nfs/dbraw/zinc/44/08/47/1430440847.db2.gz TYMJLEFDSCEYNB-GOTSBHOMSA-N 2 2 394.494 3.005 20 0 GGADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182387745 1430457438 /nfs/dbraw/zinc/45/74/38/1430457438.db2.gz PZFLRXQJWJPLBD-MJGOQNOKSA-N 2 2 385.556 3.134 20 0 GGADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182387745 1430457443 /nfs/dbraw/zinc/45/74/43/1430457443.db2.gz PZFLRXQJWJPLBD-MJGOQNOKSA-N 2 2 385.556 3.134 20 0 GGADLP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000182496344 1430478025 /nfs/dbraw/zinc/47/80/25/1430478025.db2.gz NIUIIPKWGKGEBU-OAQYLSRUSA-N 2 2 376.447 3.274 20 0 GGADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182563456 1430493227 /nfs/dbraw/zinc/49/32/27/1430493227.db2.gz UMUGZXAGUNCGMA-PKOBYXMFSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182563456 1430493228 /nfs/dbraw/zinc/49/32/28/1430493228.db2.gz UMUGZXAGUNCGMA-PKOBYXMFSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182563492 1430493367 /nfs/dbraw/zinc/49/33/67/1430493367.db2.gz UMUGZXAGUNCGMA-HKUYNNGSSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182563492 1430493371 /nfs/dbraw/zinc/49/33/71/1430493371.db2.gz UMUGZXAGUNCGMA-HKUYNNGSSA-N 2 2 381.524 3.325 20 0 GGADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182586003 1430497772 /nfs/dbraw/zinc/49/77/72/1430497772.db2.gz OUSDHGUPKQELGM-IAGOWNOFSA-N 2 2 377.916 3.076 20 0 GGADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182586003 1430497774 /nfs/dbraw/zinc/49/77/74/1430497774.db2.gz OUSDHGUPKQELGM-IAGOWNOFSA-N 2 2 377.916 3.076 20 0 GGADLP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000182645673 1430509122 /nfs/dbraw/zinc/50/91/22/1430509122.db2.gz LJCUDESBRUPRAE-FQEVSTJZSA-N 2 2 387.572 3.204 20 0 GGADLP CO[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000182901705 1430567108 /nfs/dbraw/zinc/56/71/08/1430567108.db2.gz NXUWZYHKHJITIH-BHIFYINESA-N 2 2 387.568 3.170 20 0 GGADLP CO[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000182901705 1430567112 /nfs/dbraw/zinc/56/71/12/1430567112.db2.gz NXUWZYHKHJITIH-BHIFYINESA-N 2 2 387.568 3.170 20 0 GGADLP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1ccc(Cl)cc1 ZINC000182955661 1430580010 /nfs/dbraw/zinc/58/00/10/1430580010.db2.gz OVRKGFQKQTWMKF-UHFFFAOYSA-N 2 2 379.932 3.103 20 0 GGADLP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961869 1430581142 /nfs/dbraw/zinc/58/11/42/1430581142.db2.gz WWSPQUCFDREGLC-UHFFFAOYSA-N 2 2 387.568 3.320 20 0 GGADLP C[C@@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182985446 1430585480 /nfs/dbraw/zinc/58/54/80/1430585480.db2.gz HFYIBLIZXVUEMV-INIZCTEOSA-N 2 2 395.494 3.116 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183024159 1430595250 /nfs/dbraw/zinc/59/52/50/1430595250.db2.gz AWRMRERUTHVWOK-BGYRXZFFSA-N 2 2 387.616 3.458 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183024159 1430595252 /nfs/dbraw/zinc/59/52/52/1430595252.db2.gz AWRMRERUTHVWOK-BGYRXZFFSA-N 2 2 387.616 3.458 20 0 GGADLP CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183258902 1430662111 /nfs/dbraw/zinc/66/21/11/1430662111.db2.gz YFSPDTMYKXUXKB-SJORKVTESA-N 2 2 382.570 3.155 20 0 GGADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000183343547 1430683338 /nfs/dbraw/zinc/68/33/38/1430683338.db2.gz HYABSVUTLHJBLC-XMMPIXPASA-N 2 2 390.531 3.403 20 0 GGADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000183444161 1430713623 /nfs/dbraw/zinc/71/36/23/1430713623.db2.gz PADRFOQVBIEVJR-INIZCTEOSA-N 2 2 392.459 3.166 20 0 GGADLP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000183453640 1430715419 /nfs/dbraw/zinc/71/54/19/1430715419.db2.gz FSTYALHFSXTZAG-MRXNPFEDSA-N 2 2 392.459 3.166 20 0 GGADLP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000183453618 1430715444 /nfs/dbraw/zinc/71/54/44/1430715444.db2.gz FSTYALHFSXTZAG-INIZCTEOSA-N 2 2 392.459 3.166 20 0 GGADLP COc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668370 1430767526 /nfs/dbraw/zinc/76/75/26/1430767526.db2.gz BABVRJJKNNBVHA-UXHICEINSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668370 1430767535 /nfs/dbraw/zinc/76/75/35/1430767535.db2.gz BABVRJJKNNBVHA-UXHICEINSA-N 2 2 391.531 3.244 20 0 GGADLP CCOc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668787 1430768184 /nfs/dbraw/zinc/76/81/84/1430768184.db2.gz RHYZQPHGTCWYFY-SFTDATJTSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668787 1430768186 /nfs/dbraw/zinc/76/81/86/1430768186.db2.gz RHYZQPHGTCWYFY-SFTDATJTSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1ccccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668822 1430768372 /nfs/dbraw/zinc/76/83/72/1430768372.db2.gz RHYZQPHGTCWYFY-RTWAWAEBSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1ccccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668822 1430768379 /nfs/dbraw/zinc/76/83/79/1430768379.db2.gz RHYZQPHGTCWYFY-RTWAWAEBSA-N 2 2 387.568 3.495 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000183729831 1430782509 /nfs/dbraw/zinc/78/25/09/1430782509.db2.gz VJGADMIUEMFKHP-NVXWUHKLSA-N 2 2 386.565 3.322 20 0 GGADLP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)ccn1 ZINC000183825467 1430801541 /nfs/dbraw/zinc/80/15/41/1430801541.db2.gz TWVRGPQROOPXIS-JOCHJYFZSA-N 2 2 380.467 3.435 20 0 GGADLP Cc1cnc(C(C)(C)[NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000183918194 1430812968 /nfs/dbraw/zinc/81/29/68/1430812968.db2.gz DHJWBZSUSOUECW-UHFFFAOYSA-N 2 2 386.565 3.188 20 0 GGADLP CN(C(=O)Nc1ccncc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000184177519 1430851296 /nfs/dbraw/zinc/85/12/96/1430851296.db2.gz AWKCDCSXJUYORF-OALUTQOASA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccncc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000184177519 1430851297 /nfs/dbraw/zinc/85/12/97/1430851297.db2.gz AWKCDCSXJUYORF-OALUTQOASA-N 2 2 377.508 3.022 20 0 GGADLP CC(C)[C@@H]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000184445395 1430888762 /nfs/dbraw/zinc/88/87/62/1430888762.db2.gz DMMBYYJQPJOPJT-RTBURBONSA-N 2 2 378.605 3.449 20 0 GGADLP Cc1oc2ccccc2c1CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000184568011 1430906940 /nfs/dbraw/zinc/90/69/40/1430906940.db2.gz SVURGJQUDWHHQG-UHFFFAOYSA-N 2 2 384.524 3.099 20 0 GGADLP Cc1c(-c2cc(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)on2)cnn1C ZINC000184657982 1430932538 /nfs/dbraw/zinc/93/25/38/1430932538.db2.gz IVOVZIJJKRGDJU-UHFFFAOYSA-N 2 2 379.508 3.480 20 0 GGADLP Cc1c(-c2cc(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)on2)cnn1C ZINC000184657982 1430932539 /nfs/dbraw/zinc/93/25/39/1430932539.db2.gz IVOVZIJJKRGDJU-UHFFFAOYSA-N 2 2 379.508 3.480 20 0 GGADLP C[C@H](CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+]1CCCCC1 ZINC000184791032 1430978904 /nfs/dbraw/zinc/97/89/04/1430978904.db2.gz IHAZNFNFPGSQDZ-LJQANCHMSA-N 2 2 383.540 3.038 20 0 GGADLP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000184926570 1431023104 /nfs/dbraw/zinc/02/31/04/1431023104.db2.gz PIRKYFDVIRCUEO-GHTZIAJQSA-N 2 2 396.539 3.140 20 0 GGADLP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000184926603 1431023120 /nfs/dbraw/zinc/02/31/20/1431023120.db2.gz PIRKYFDVIRCUEO-RXVVDRJESA-N 2 2 396.539 3.140 20 0 GGADLP COc1ccccc1C[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000184950465 1431028777 /nfs/dbraw/zinc/02/87/77/1431028777.db2.gz VFWIGOJMAKWOAD-OAQYLSRUSA-N 2 2 381.520 3.079 20 0 GGADLP COc1ccccc1C[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000184950465 1431028781 /nfs/dbraw/zinc/02/87/81/1431028781.db2.gz VFWIGOJMAKWOAD-OAQYLSRUSA-N 2 2 381.520 3.079 20 0 GGADLP CC[C@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000184969151 1431033280 /nfs/dbraw/zinc/03/32/80/1431033280.db2.gz MPFZLCAZDOSRFF-NQIIRXRSSA-N 2 2 383.540 3.134 20 0 GGADLP CC[C@H]1CN(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000184969151 1431033284 /nfs/dbraw/zinc/03/32/84/1431033284.db2.gz MPFZLCAZDOSRFF-NQIIRXRSSA-N 2 2 383.540 3.134 20 0 GGADLP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)N1CC[NH+](C)CC1 ZINC000184977425 1431035026 /nfs/dbraw/zinc/03/50/26/1431035026.db2.gz YWHQSHYPLBGEDW-WMLDXEAASA-N 2 2 384.362 3.077 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000184995895 1431037867 /nfs/dbraw/zinc/03/78/67/1431037867.db2.gz RUGDCLDUNVQQHL-GOSISDBHSA-N 2 2 383.517 3.192 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000184997176 1431038295 /nfs/dbraw/zinc/03/82/95/1431038295.db2.gz WNZNOKMUWMIROK-DZFGPLHGSA-N 2 2 376.566 3.154 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000184997176 1431038301 /nfs/dbraw/zinc/03/83/01/1431038301.db2.gz WNZNOKMUWMIROK-DZFGPLHGSA-N 2 2 376.566 3.154 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000185134476 1431069079 /nfs/dbraw/zinc/06/90/79/1431069079.db2.gz CUXRQLYJWPBZIY-INIZCTEOSA-N 2 2 387.480 3.272 20 0 GGADLP O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000185276357 1431098045 /nfs/dbraw/zinc/09/80/45/1431098045.db2.gz VOBUSFYGNFINSB-UHFFFAOYSA-N 2 2 375.856 3.370 20 0 GGADLP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1O ZINC000185352801 1431123279 /nfs/dbraw/zinc/12/32/79/1431123279.db2.gz IKKABTSCECRCOF-CQSZACIVSA-N 2 2 384.362 3.079 20 0 GGADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675739 1431202842 /nfs/dbraw/zinc/20/28/42/1431202842.db2.gz CZHFFRFZYQIILY-LSDHHAIUSA-N 2 2 393.553 3.106 20 0 GGADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675739 1431202846 /nfs/dbraw/zinc/20/28/46/1431202846.db2.gz CZHFFRFZYQIILY-LSDHHAIUSA-N 2 2 393.553 3.106 20 0 GGADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675792 1431202870 /nfs/dbraw/zinc/20/28/70/1431202870.db2.gz CZHFFRFZYQIILY-CABCVRRESA-N 2 2 393.553 3.106 20 0 GGADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675792 1431202874 /nfs/dbraw/zinc/20/28/74/1431202874.db2.gz CZHFFRFZYQIILY-CABCVRRESA-N 2 2 393.553 3.106 20 0 GGADLP CC[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000185695969 1431208644 /nfs/dbraw/zinc/20/86/44/1431208644.db2.gz SKLKTPIRJRPWKL-OAQYLSRUSA-N 2 2 383.540 3.278 20 0 GGADLP CC[C@@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000185695969 1431208650 /nfs/dbraw/zinc/20/86/50/1431208650.db2.gz SKLKTPIRJRPWKL-OAQYLSRUSA-N 2 2 383.540 3.278 20 0 GGADLP CSCCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186172574 1431346587 /nfs/dbraw/zinc/34/65/87/1431346587.db2.gz XITJWHHYBCFIRJ-UXHICEINSA-N 2 2 398.661 3.498 20 0 GGADLP CSCCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186172574 1431346593 /nfs/dbraw/zinc/34/65/93/1431346593.db2.gz XITJWHHYBCFIRJ-UXHICEINSA-N 2 2 398.661 3.498 20 0 GGADLP CSCCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000186172598 1431346880 /nfs/dbraw/zinc/34/68/80/1431346880.db2.gz XITJWHHYBCFIRJ-PMACEKPBSA-N 2 2 398.661 3.498 20 0 GGADLP CSCCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000186172598 1431346881 /nfs/dbraw/zinc/34/68/81/1431346881.db2.gz XITJWHHYBCFIRJ-PMACEKPBSA-N 2 2 398.661 3.498 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186316559 1431380562 /nfs/dbraw/zinc/38/05/62/1431380562.db2.gz GHUWVFRPHOFVCN-RTBURBONSA-N 2 2 387.568 3.322 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186343664 1431388119 /nfs/dbraw/zinc/38/81/19/1431388119.db2.gz OLLVLTRMTBPYHX-FAJFIQLJSA-N 2 2 380.536 3.107 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186343664 1431388123 /nfs/dbraw/zinc/38/81/23/1431388123.db2.gz OLLVLTRMTBPYHX-FAJFIQLJSA-N 2 2 380.536 3.107 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000186518672 1431444910 /nfs/dbraw/zinc/44/49/10/1431444910.db2.gz UDHWPOSVCISEPY-GBESFXJTSA-N 2 2 378.582 3.400 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000186518672 1431444914 /nfs/dbraw/zinc/44/49/14/1431444914.db2.gz UDHWPOSVCISEPY-GBESFXJTSA-N 2 2 378.582 3.400 20 0 GGADLP COc1ccc2c(c1)nc(C[NH2+]C1CC[NH+](CCc3ccccc3)CC1)n2C ZINC000186542552 1431450272 /nfs/dbraw/zinc/45/02/72/1431450272.db2.gz NQQAYLWSHGNORW-UHFFFAOYSA-N 2 2 378.520 3.379 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000187009610 1431588246 /nfs/dbraw/zinc/58/82/46/1431588246.db2.gz KMBAVJOFTPRUBX-RHSMWYFYSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000187009610 1431588251 /nfs/dbraw/zinc/58/82/51/1431588251.db2.gz KMBAVJOFTPRUBX-RHSMWYFYSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)[C@H](C)C1 ZINC000187012689 1431589161 /nfs/dbraw/zinc/58/91/61/1431589161.db2.gz HJLQXRHYLLTTDH-VKJFTORMSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)[C@H](C)C1 ZINC000187012689 1431589166 /nfs/dbraw/zinc/58/91/66/1431589166.db2.gz HJLQXRHYLLTTDH-VKJFTORMSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC000187016943 1431590870 /nfs/dbraw/zinc/59/08/70/1431590870.db2.gz VTJTXSFGODXSDZ-AOIWGVFYSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC000187016943 1431590877 /nfs/dbraw/zinc/59/08/77/1431590877.db2.gz VTJTXSFGODXSDZ-AOIWGVFYSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000187017674 1431591204 /nfs/dbraw/zinc/59/12/04/1431591204.db2.gz APFGDRCIMCXNEQ-RDTXWAMCSA-N 2 2 381.586 3.338 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000187017674 1431591211 /nfs/dbraw/zinc/59/12/11/1431591211.db2.gz APFGDRCIMCXNEQ-RDTXWAMCSA-N 2 2 381.586 3.338 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3c(cccc3F)n2CC)[C@@H](C)C1 ZINC000187023571 1431592684 /nfs/dbraw/zinc/59/26/84/1431592684.db2.gz LBSOOTCBTJZXCP-FUHWJXTLSA-N 2 2 376.520 3.422 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3c(cccc3F)n2CC)[C@@H](C)C1 ZINC000187023571 1431592686 /nfs/dbraw/zinc/59/26/86/1431592686.db2.gz LBSOOTCBTJZXCP-FUHWJXTLSA-N 2 2 376.520 3.422 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000187025157 1431593696 /nfs/dbraw/zinc/59/36/96/1431593696.db2.gz REXSZMOCGUZCIR-KDOFPFPSSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000187025157 1431593700 /nfs/dbraw/zinc/59/37/00/1431593700.db2.gz REXSZMOCGUZCIR-KDOFPFPSSA-N 2 2 385.911 3.144 20 0 GGADLP CC1(C)OCc2cc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)ccc2O1 ZINC000187118546 1431620622 /nfs/dbraw/zinc/62/06/22/1431620622.db2.gz QQIOMYHYDGEVAH-UHFFFAOYSA-N 2 2 382.504 3.454 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000187228979 1431656870 /nfs/dbraw/zinc/65/68/70/1431656870.db2.gz AHNGIAVUNQGYHG-XMSQKQJNSA-N 2 2 380.536 3.414 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H](C)[C@@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000187228943 1431657172 /nfs/dbraw/zinc/65/71/72/1431657172.db2.gz AHNGIAVUNQGYHG-GCJKJVERSA-N 2 2 380.536 3.414 20 0 GGADLP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)CCCC1)c1ccccc1 ZINC000187230363 1431657594 /nfs/dbraw/zinc/65/75/94/1431657594.db2.gz GAOJCQHWOQCQPZ-ZWKOTPCHSA-N 2 2 378.582 3.453 20 0 GGADLP CCOC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000187380268 1431714326 /nfs/dbraw/zinc/71/43/26/1431714326.db2.gz FTVHUQWDIRMBOF-NRFANRHFSA-N 2 2 399.535 3.267 20 0 GGADLP C[C@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000187766182 1431810008 /nfs/dbraw/zinc/81/00/08/1431810008.db2.gz RTYFCFSXQHHSQT-QGZVFWFLSA-N 2 2 386.927 3.167 20 0 GGADLP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000187904802 1431826015 /nfs/dbraw/zinc/82/60/15/1431826015.db2.gz IKHGJZCTSCCJQA-URXFXBBRSA-N 2 2 392.547 3.220 20 0 GGADLP CC(C)n1ncc2cc(C[N@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cnc21 ZINC000188310092 1431871734 /nfs/dbraw/zinc/87/17/34/1431871734.db2.gz ZAZOGUDRAPQZAW-QHCPKHFHSA-N 2 2 393.535 3.081 20 0 GGADLP CC(C)n1ncc2cc(C[N@@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cnc21 ZINC000188310092 1431871737 /nfs/dbraw/zinc/87/17/37/1431871737.db2.gz ZAZOGUDRAPQZAW-QHCPKHFHSA-N 2 2 393.535 3.081 20 0 GGADLP CC(C)n1ncc2cc(C[NH+](C)C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cnc21 ZINC000188310092 1431871738 /nfs/dbraw/zinc/87/17/38/1431871738.db2.gz ZAZOGUDRAPQZAW-QHCPKHFHSA-N 2 2 393.535 3.081 20 0 GGADLP CC(C)n1ncc2cc(C[NH+](C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cnc21 ZINC000188310092 1431871739 /nfs/dbraw/zinc/87/17/39/1431871739.db2.gz ZAZOGUDRAPQZAW-QHCPKHFHSA-N 2 2 393.535 3.081 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188599686 1431899005 /nfs/dbraw/zinc/89/90/05/1431899005.db2.gz OUQNLABJRLEYSS-NEPXVJNWSA-N 2 2 385.474 3.365 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188599686 1431899009 /nfs/dbraw/zinc/89/90/09/1431899009.db2.gz OUQNLABJRLEYSS-NEPXVJNWSA-N 2 2 385.474 3.365 20 0 GGADLP Cc1ccc(-c2c[nH]cc2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000188833684 1431993060 /nfs/dbraw/zinc/99/30/60/1431993060.db2.gz MPKZJZUMSGQSFB-UHFFFAOYSA-N 2 2 386.565 3.340 20 0 GGADLP O=C(CC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000189105302 1432045750 /nfs/dbraw/zinc/04/57/50/1432045750.db2.gz YUHGXAJKBVXATB-YADHBBJMSA-N 2 2 392.547 3.121 20 0 GGADLP COc1cccc2c(N3CCC(C(=O)NCCC[NH+]4CCCC4)CC3)cc[nH+]c12 ZINC000189191805 1432060810 /nfs/dbraw/zinc/06/08/10/1432060810.db2.gz MIMPGDZHTWMGGM-UHFFFAOYSA-N 2 2 396.535 3.062 20 0 GGADLP COc1cccc2c(NCc3cccc(C(=O)NCC[NH+](C)C)c3)cc[nH+]c12 ZINC000189333289 1432088111 /nfs/dbraw/zinc/08/81/11/1432088111.db2.gz BWGYMFSBFGPCNP-UHFFFAOYSA-N 2 2 378.476 3.147 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000189781596 1432233774 /nfs/dbraw/zinc/23/37/74/1432233774.db2.gz JLHHGRPGTXBNQT-IRLDBZIGSA-N 2 2 398.595 3.256 20 0 GGADLP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000189785360 1432234447 /nfs/dbraw/zinc/23/44/47/1432234447.db2.gz MGOUFRUXMUMJHW-UHFFFAOYSA-N 2 2 389.588 3.095 20 0 GGADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000189853597 1432253822 /nfs/dbraw/zinc/25/38/22/1432253822.db2.gz VVYBAGIXZHDUPU-UHFFFAOYSA-N 2 2 388.515 3.287 20 0 GGADLP Cn1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000190312325 1432358191 /nfs/dbraw/zinc/35/81/91/1432358191.db2.gz HIACGZZASOTFCC-QFIPXVFZSA-N 2 2 396.560 3.217 20 0 GGADLP Cn1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000190312325 1432358194 /nfs/dbraw/zinc/35/81/94/1432358194.db2.gz HIACGZZASOTFCC-QFIPXVFZSA-N 2 2 396.560 3.217 20 0 GGADLP Cn1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000190312325 1432358197 /nfs/dbraw/zinc/35/81/97/1432358197.db2.gz HIACGZZASOTFCC-QFIPXVFZSA-N 2 2 396.560 3.217 20 0 GGADLP Cn1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2cccs2)n1 ZINC000190312325 1432358202 /nfs/dbraw/zinc/35/82/02/1432358202.db2.gz HIACGZZASOTFCC-QFIPXVFZSA-N 2 2 396.560 3.217 20 0 GGADLP COc1cc(Cl)cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190314749 1432359153 /nfs/dbraw/zinc/35/91/53/1432359153.db2.gz WLIJZIWWDKVEPK-OAQYLSRUSA-N 2 2 390.911 3.123 20 0 GGADLP COc1cc(Cl)cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1O ZINC000190314749 1432359156 /nfs/dbraw/zinc/35/91/56/1432359156.db2.gz WLIJZIWWDKVEPK-OAQYLSRUSA-N 2 2 390.911 3.123 20 0 GGADLP COc1cc(Cl)cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1O ZINC000190314749 1432359159 /nfs/dbraw/zinc/35/91/59/1432359159.db2.gz WLIJZIWWDKVEPK-OAQYLSRUSA-N 2 2 390.911 3.123 20 0 GGADLP COc1cc(Cl)cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1O ZINC000190314749 1432359163 /nfs/dbraw/zinc/35/91/63/1432359163.db2.gz WLIJZIWWDKVEPK-OAQYLSRUSA-N 2 2 390.911 3.123 20 0 GGADLP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190317932 1432359966 /nfs/dbraw/zinc/35/99/66/1432359966.db2.gz BQPGVKPNDNURLB-DEOSSOPVSA-N 2 2 396.531 3.401 20 0 GGADLP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190317932 1432359970 /nfs/dbraw/zinc/35/99/70/1432359970.db2.gz BQPGVKPNDNURLB-DEOSSOPVSA-N 2 2 396.531 3.401 20 0 GGADLP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190317932 1432359975 /nfs/dbraw/zinc/35/99/75/1432359975.db2.gz BQPGVKPNDNURLB-DEOSSOPVSA-N 2 2 396.531 3.401 20 0 GGADLP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190317932 1432359977 /nfs/dbraw/zinc/35/99/77/1432359977.db2.gz BQPGVKPNDNURLB-DEOSSOPVSA-N 2 2 396.531 3.401 20 0 GGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190322292 1432361288 /nfs/dbraw/zinc/36/12/88/1432361288.db2.gz HCOGRBXSJRHQPP-XMMPIXPASA-N 2 2 390.531 3.454 20 0 GGADLP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190322292 1432361290 /nfs/dbraw/zinc/36/12/90/1432361290.db2.gz HCOGRBXSJRHQPP-XMMPIXPASA-N 2 2 390.531 3.454 20 0 GGADLP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000190322292 1432361292 /nfs/dbraw/zinc/36/12/92/1432361292.db2.gz HCOGRBXSJRHQPP-XMMPIXPASA-N 2 2 390.531 3.454 20 0 GGADLP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000190322292 1432361294 /nfs/dbraw/zinc/36/12/94/1432361294.db2.gz HCOGRBXSJRHQPP-XMMPIXPASA-N 2 2 390.531 3.454 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3nccn3-c3ccccc3)c2)CCO1 ZINC000190868953 1432514593 /nfs/dbraw/zinc/51/45/93/1432514593.db2.gz HMUZCUOLQJQFNC-LJQANCHMSA-N 2 2 376.504 3.383 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3nccn3-c3ccccc3)c2)CCO1 ZINC000190868953 1432514598 /nfs/dbraw/zinc/51/45/98/1432514598.db2.gz HMUZCUOLQJQFNC-LJQANCHMSA-N 2 2 376.504 3.383 20 0 GGADLP CC(C)[C@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000191132061 1432573992 /nfs/dbraw/zinc/57/39/92/1432573992.db2.gz YKQSSLSMHPBDKI-NRFANRHFSA-N 2 2 388.600 3.169 20 0 GGADLP CC(C)[C@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000191132061 1432573995 /nfs/dbraw/zinc/57/39/95/1432573995.db2.gz YKQSSLSMHPBDKI-NRFANRHFSA-N 2 2 388.600 3.169 20 0 GGADLP Cc1c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cnn1C(C)C ZINC000191213171 1432593339 /nfs/dbraw/zinc/59/33/39/1432593339.db2.gz ITWKPMALHRKPMD-GOSISDBHSA-N 2 2 386.540 3.334 20 0 GGADLP Cc1c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cnn1C(C)C ZINC000191229839 1432597521 /nfs/dbraw/zinc/59/75/21/1432597521.db2.gz FBVLQKSDMAMDAG-SFHVURJKSA-N 2 2 386.540 3.334 20 0 GGADLP CC(C)N(C)c1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000191284416 1432620361 /nfs/dbraw/zinc/62/03/61/1432620361.db2.gz JFEVRHQCDTYJOY-UHFFFAOYSA-N 2 2 381.568 3.460 20 0 GGADLP CC(C)N(C)c1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000191284416 1432620367 /nfs/dbraw/zinc/62/03/67/1432620367.db2.gz JFEVRHQCDTYJOY-UHFFFAOYSA-N 2 2 381.568 3.460 20 0 GGADLP CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000191287483 1432621663 /nfs/dbraw/zinc/62/16/63/1432621663.db2.gz SOBVWGZXERYCBF-ROUUACIJSA-N 2 2 376.545 3.101 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000191746655 1432717204 /nfs/dbraw/zinc/71/72/04/1432717204.db2.gz ZEAOAHJUDWUHNH-UHFFFAOYSA-N 2 2 392.519 3.104 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000191746655 1432717207 /nfs/dbraw/zinc/71/72/07/1432717207.db2.gz ZEAOAHJUDWUHNH-UHFFFAOYSA-N 2 2 392.519 3.104 20 0 GGADLP CC[NH+](CC)CCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000191811218 1432730717 /nfs/dbraw/zinc/73/07/17/1432730717.db2.gz HTANYYMZBNDHGO-INIZCTEOSA-N 2 2 387.524 3.033 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cncn2)cc1 ZINC000191833319 1432735535 /nfs/dbraw/zinc/73/55/35/1432735535.db2.gz VVGLMETYJLYDAV-CVDCTZTESA-N 2 2 391.519 3.209 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cncn2)cc1 ZINC000191833319 1432735540 /nfs/dbraw/zinc/73/55/40/1432735540.db2.gz VVGLMETYJLYDAV-CVDCTZTESA-N 2 2 391.519 3.209 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cncn2)cc1 ZINC000191833305 1432735616 /nfs/dbraw/zinc/73/56/16/1432735616.db2.gz VVGLMETYJLYDAV-AUSIDOKSSA-N 2 2 391.519 3.209 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cncn2)cc1 ZINC000191833305 1432735622 /nfs/dbraw/zinc/73/56/22/1432735622.db2.gz VVGLMETYJLYDAV-AUSIDOKSSA-N 2 2 391.519 3.209 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834597 1432735975 /nfs/dbraw/zinc/73/59/75/1432735975.db2.gz MFXWWJVAPKFZND-GCJKJVERSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834597 1432735979 /nfs/dbraw/zinc/73/59/79/1432735979.db2.gz MFXWWJVAPKFZND-GCJKJVERSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834553 1432736184 /nfs/dbraw/zinc/73/61/84/1432736184.db2.gz MFXWWJVAPKFZND-PGRDOPGGSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834553 1432736187 /nfs/dbraw/zinc/73/61/87/1432736187.db2.gz MFXWWJVAPKFZND-PGRDOPGGSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835471 1432736301 /nfs/dbraw/zinc/73/63/01/1432736301.db2.gz HUQXFBFXAHKEQY-RBBKRZOGSA-N 2 2 387.568 3.048 20 0 GGADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835471 1432736304 /nfs/dbraw/zinc/73/63/04/1432736304.db2.gz HUQXFBFXAHKEQY-RBBKRZOGSA-N 2 2 387.568 3.048 20 0 GGADLP COc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000191949244 1432763812 /nfs/dbraw/zinc/76/38/12/1432763812.db2.gz GMUVWYIBGQPCHF-UHFFFAOYSA-N 2 2 378.476 3.085 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(OC)ccc3Cl)CC2)CC1 ZINC000192016334 1432780085 /nfs/dbraw/zinc/78/00/85/1432780085.db2.gz YPLZANMQUWJBAH-UHFFFAOYSA-N 2 2 393.959 3.115 20 0 GGADLP CCc1nsc(N2CCC[N@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)n1 ZINC000192051056 1432787705 /nfs/dbraw/zinc/78/77/05/1432787705.db2.gz UTYPACSCQGVNRJ-UHFFFAOYSA-N 2 2 382.537 3.307 20 0 GGADLP CCc1nsc(N2CCC[N@@H+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)n1 ZINC000192051056 1432787710 /nfs/dbraw/zinc/78/77/10/1432787710.db2.gz UTYPACSCQGVNRJ-UHFFFAOYSA-N 2 2 382.537 3.307 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCCC[C@H]3CO)nc[nH+]2)c1 ZINC000192282347 1432826928 /nfs/dbraw/zinc/82/69/28/1432826928.db2.gz BHCXBZCVQNHOSD-FQEVSTJZSA-N 2 2 383.540 3.282 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCCC[C@H]3CO)[nH+]cn2)c1 ZINC000192282347 1432826930 /nfs/dbraw/zinc/82/69/30/1432826930.db2.gz BHCXBZCVQNHOSD-FQEVSTJZSA-N 2 2 383.540 3.282 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000192320112 1432831449 /nfs/dbraw/zinc/83/14/49/1432831449.db2.gz AWEZDTVWFSBXBA-LJQANCHMSA-N 2 2 397.567 3.314 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000192320112 1432831450 /nfs/dbraw/zinc/83/14/50/1432831450.db2.gz AWEZDTVWFSBXBA-LJQANCHMSA-N 2 2 397.567 3.314 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000192344344 1432834414 /nfs/dbraw/zinc/83/44/14/1432834414.db2.gz YPTNKWAOVPBPNM-NQIIRXRSSA-N 2 2 377.577 3.378 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000192344349 1432834422 /nfs/dbraw/zinc/83/44/22/1432834422.db2.gz YPTNKWAOVPBPNM-WIYYLYMNSA-N 2 2 377.577 3.378 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000192344336 1432834459 /nfs/dbraw/zinc/83/44/59/1432834459.db2.gz YPTNKWAOVPBPNM-RXVVDRJESA-N 2 2 377.577 3.378 20 0 GGADLP Cc1cn2c(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)c(C)nc2s1 ZINC000192356006 1432835763 /nfs/dbraw/zinc/83/57/63/1432835763.db2.gz GEHDEAOFVYTARO-IBGZPJMESA-N 2 2 384.549 3.393 20 0 GGADLP Cc1cn2c(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)c(C)nc2s1 ZINC000192356006 1432835764 /nfs/dbraw/zinc/83/57/64/1432835764.db2.gz GEHDEAOFVYTARO-IBGZPJMESA-N 2 2 384.549 3.393 20 0 GGADLP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192354498 1432835974 /nfs/dbraw/zinc/83/59/74/1432835974.db2.gz AATJAADWYJISLK-JOCHJYFZSA-N 2 2 380.536 3.063 20 0 GGADLP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192354498 1432835975 /nfs/dbraw/zinc/83/59/75/1432835975.db2.gz AATJAADWYJISLK-JOCHJYFZSA-N 2 2 380.536 3.063 20 0 GGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357678 1432836124 /nfs/dbraw/zinc/83/61/24/1432836124.db2.gz LBQQDLYEHPYAAU-DENIHFKCSA-N 2 2 381.520 3.284 20 0 GGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357678 1432836126 /nfs/dbraw/zinc/83/61/26/1432836126.db2.gz LBQQDLYEHPYAAU-DENIHFKCSA-N 2 2 381.520 3.284 20 0 GGADLP Cn1c2ccc(C[NH2+]CCc3[nH+]ccn3Cc3ccccc3)cc2sc1=O ZINC000192465862 1432848120 /nfs/dbraw/zinc/84/81/20/1432848120.db2.gz SMLYBMKNWAQADT-UHFFFAOYSA-N 2 2 378.501 3.177 20 0 GGADLP O=S(=O)(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000192697158 1432876645 /nfs/dbraw/zinc/87/66/45/1432876645.db2.gz APSRDEYKEPCHEO-UHFFFAOYSA-N 2 2 382.545 3.187 20 0 GGADLP CC(C)c1ccc(C[NH+]2CCN(CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000192715527 1432879289 /nfs/dbraw/zinc/87/92/89/1432879289.db2.gz VSBGYXVHLFEKNE-UHFFFAOYSA-N 2 2 386.628 3.344 20 0 GGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCNc3ccccc32)c1 ZINC000192763509 1432886491 /nfs/dbraw/zinc/88/64/91/1432886491.db2.gz IWYZTVMYLFJNAB-QFIPXVFZSA-N 2 2 381.520 3.434 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000192999581 1432919964 /nfs/dbraw/zinc/91/99/64/1432919964.db2.gz ZBACUJVXBSAUHP-SJORKVTESA-N 2 2 378.904 3.138 20 0 GGADLP Cc1nc(-c2ccccc2)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000193621682 1433029923 /nfs/dbraw/zinc/02/99/23/1433029923.db2.gz BZBQALRKAWGVEH-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1nc(-c2ccccc2)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000193621682 1433029924 /nfs/dbraw/zinc/02/99/24/1433029924.db2.gz BZBQALRKAWGVEH-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1ccc(NCCCNC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)[nH+]c1 ZINC000193846260 1433072039 /nfs/dbraw/zinc/07/20/39/1433072039.db2.gz KTAMQMXDRNZLFC-UHFFFAOYSA-N 2 2 399.514 3.249 20 0 GGADLP Cc1ccc(NCCCNC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)[nH+]c1 ZINC000193846260 1433072041 /nfs/dbraw/zinc/07/20/41/1433072041.db2.gz KTAMQMXDRNZLFC-UHFFFAOYSA-N 2 2 399.514 3.249 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194083764 1433114049 /nfs/dbraw/zinc/11/40/49/1433114049.db2.gz BVEVRFPJFYDUDP-HXUWFJFHSA-N 2 2 389.503 3.194 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194083764 1433114051 /nfs/dbraw/zinc/11/40/51/1433114051.db2.gz BVEVRFPJFYDUDP-HXUWFJFHSA-N 2 2 389.503 3.194 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H](C)[N@@H+]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000194134168 1433123226 /nfs/dbraw/zinc/12/32/26/1433123226.db2.gz QXBCEYSIQKIZCH-IBGZPJMESA-N 2 2 392.547 3.169 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H](C)[N@H+]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000194134168 1433123227 /nfs/dbraw/zinc/12/32/27/1433123227.db2.gz QXBCEYSIQKIZCH-IBGZPJMESA-N 2 2 392.547 3.169 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H](C)[N@@H+]3CCc4sccc4C3)CC2)[nH+]c1 ZINC000194140127 1433124399 /nfs/dbraw/zinc/12/43/99/1433124399.db2.gz AKRVFQFHNNUVME-KRWDZBQOSA-N 2 2 398.576 3.231 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H](C)[N@H+]3CCc4sccc4C3)CC2)[nH+]c1 ZINC000194140127 1433124401 /nfs/dbraw/zinc/12/44/01/1433124401.db2.gz AKRVFQFHNNUVME-KRWDZBQOSA-N 2 2 398.576 3.231 20 0 GGADLP C[C@H](CC[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000194387723 1433170538 /nfs/dbraw/zinc/17/05/38/1433170538.db2.gz HIIGPZNNXBFAAC-TZIWHRDSSA-N 2 2 395.551 3.065 20 0 GGADLP O=C(C[NH2+][C@H](c1ccccc1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000194553446 1433196398 /nfs/dbraw/zinc/19/63/98/1433196398.db2.gz OJAZJOYZCQJROT-HSZRJFAPSA-N 2 2 379.504 3.198 20 0 GGADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ncc[nH]3)c3cccnc3)CC2)cs1 ZINC000195032807 1433283452 /nfs/dbraw/zinc/28/34/52/1433283452.db2.gz LWGKRTSBFGFKEK-FQEVSTJZSA-N 2 2 396.564 3.415 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)cc1 ZINC000195064847 1433287483 /nfs/dbraw/zinc/28/74/83/1433287483.db2.gz QJYFRESPFDBTDJ-OAQYLSRUSA-N 2 2 380.536 3.334 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4cc(F)ccc4s3)CC2)CC1 ZINC000195205591 1433307182 /nfs/dbraw/zinc/30/71/82/1433307182.db2.gz LDBVJMGBLLEUQI-UHFFFAOYSA-N 2 2 375.513 3.329 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195342944 1433320708 /nfs/dbraw/zinc/32/07/08/1433320708.db2.gz YCOUPURJDQHUSN-UHFFFAOYSA-N 2 2 399.583 3.275 20 0 GGADLP COc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000195341342 1433320890 /nfs/dbraw/zinc/32/08/90/1433320890.db2.gz OYRVDGSZMAZUKK-UHFFFAOYSA-N 2 2 380.920 3.029 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000195341860 1433320912 /nfs/dbraw/zinc/32/09/12/1433320912.db2.gz AOUQIUSYHJRLDI-UHFFFAOYSA-N 2 2 384.446 3.386 20 0 GGADLP CCCOc1cc(C)ccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195344288 1433321218 /nfs/dbraw/zinc/32/12/18/1433321218.db2.gz VWIBJUIGIHMUSQ-UHFFFAOYSA-N 2 2 388.556 3.464 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1OC(F)F ZINC000195467112 1433333443 /nfs/dbraw/zinc/33/34/43/1433333443.db2.gz CCDZBWAMMTZZCQ-IRXDYDNUSA-N 2 2 397.510 3.287 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000236627614 1433374655 /nfs/dbraw/zinc/37/46/55/1433374655.db2.gz OBRRPSSVGRTOJF-OAQYLSRUSA-N 2 2 384.568 3.352 20 0 GGADLP Brc1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc2c1OCO2 ZINC000236648301 1433375070 /nfs/dbraw/zinc/37/50/70/1433375070.db2.gz HJBBKRHARCGIAX-UHFFFAOYSA-N 2 2 390.281 3.331 20 0 GGADLP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000236936865 1433383432 /nfs/dbraw/zinc/38/34/32/1433383432.db2.gz DTVCOZAHSREGST-CVDCTZTESA-N 2 2 394.563 3.316 20 0 GGADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CCCC2)no1 ZINC000236942726 1433383832 /nfs/dbraw/zinc/38/38/32/1433383832.db2.gz GHJDZVSBCNSZGU-APWZRJJASA-N 2 2 399.539 3.133 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)CC1 ZINC000237126197 1433390296 /nfs/dbraw/zinc/39/02/96/1433390296.db2.gz KIWQCNRPQDJQNY-UHFFFAOYSA-N 2 2 397.519 3.148 20 0 GGADLP COc1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000237157529 1433390918 /nfs/dbraw/zinc/39/09/18/1433390918.db2.gz VLQXQFSOQKZFKA-GASCZTMLSA-N 2 2 390.446 3.225 20 0 GGADLP COc1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000237157529 1433390919 /nfs/dbraw/zinc/39/09/19/1433390919.db2.gz VLQXQFSOQKZFKA-GASCZTMLSA-N 2 2 390.446 3.225 20 0 GGADLP COc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1OCc1ccccc1 ZINC000237196757 1433392330 /nfs/dbraw/zinc/39/23/30/1433392330.db2.gz LHNVBLYVYYRXRM-QFIPXVFZSA-N 2 2 398.547 3.457 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237310921 1433396660 /nfs/dbraw/zinc/39/66/60/1433396660.db2.gz SRYUHMALWAQXML-NPPFBWRTSA-N 2 2 381.520 3.237 20 0 GGADLP COc1cccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1O ZINC000237371930 1433399640 /nfs/dbraw/zinc/39/96/40/1433399640.db2.gz HKBYRNAMJIYJAX-UHFFFAOYSA-N 2 2 389.927 3.356 20 0 GGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@H](C)O1 ZINC000237407158 1433401366 /nfs/dbraw/zinc/40/13/66/1433401366.db2.gz WFGUOSPFTUYVTM-HZPDHXFCSA-N 2 2 396.457 3.480 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)C(C)(C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000237418443 1433402091 /nfs/dbraw/zinc/40/20/91/1433402091.db2.gz YONVTQFJYGAFRM-QGZVFWFLSA-N 2 2 389.590 3.423 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)C(C)(C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000237418443 1433402092 /nfs/dbraw/zinc/40/20/92/1433402092.db2.gz YONVTQFJYGAFRM-QGZVFWFLSA-N 2 2 389.590 3.423 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)C2([NH3+])CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000237438468 1433403173 /nfs/dbraw/zinc/40/31/73/1433403173.db2.gz QYXBVJYPYRJOKF-QGZVFWFLSA-N 2 2 387.574 3.177 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)C2([NH3+])CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000237438468 1433403176 /nfs/dbraw/zinc/40/31/76/1433403176.db2.gz QYXBVJYPYRJOKF-QGZVFWFLSA-N 2 2 387.574 3.177 20 0 GGADLP CSc1ccc([C@H](CNC(=O)C2([NH3+])CC2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000237440903 1433403372 /nfs/dbraw/zinc/40/33/72/1433403372.db2.gz QYXBVJYPYRJOKF-KRWDZBQOSA-N 2 2 387.574 3.177 20 0 GGADLP CSc1ccc([C@H](CNC(=O)C2([NH3+])CC2)[N@H+]2CCc3sccc3C2)cc1 ZINC000237440903 1433403373 /nfs/dbraw/zinc/40/33/73/1433403373.db2.gz QYXBVJYPYRJOKF-KRWDZBQOSA-N 2 2 387.574 3.177 20 0 GGADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237827993 1433427051 /nfs/dbraw/zinc/42/70/51/1433427051.db2.gz ISPXYOVOSOHAFT-LEWJYISDSA-N 2 2 383.923 3.308 20 0 GGADLP O=C(C1CC[NH2+]CC1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000237891757 1433431888 /nfs/dbraw/zinc/43/18/88/1433431888.db2.gz SNSIVAANPYUSAG-UHFFFAOYSA-N 2 2 387.524 3.198 20 0 GGADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CCCC1 ZINC000237891068 1433432096 /nfs/dbraw/zinc/43/20/96/1433432096.db2.gz WAZPBRKLFDZXDB-UHFFFAOYSA-N 2 2 387.524 3.470 20 0 GGADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000238032285 1433440136 /nfs/dbraw/zinc/44/01/36/1433440136.db2.gz SAHUBAJFNLLOJE-XMMPIXPASA-N 2 2 385.511 3.199 20 0 GGADLP [NH3+]Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000238063564 1433441499 /nfs/dbraw/zinc/44/14/99/1433441499.db2.gz LYORWRHSDWZKDW-UHFFFAOYSA-N 2 2 375.472 3.286 20 0 GGADLP O=C(Nc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000238069142 1433441764 /nfs/dbraw/zinc/44/17/64/1433441764.db2.gz OKECBOKTIBLBME-FQEVSTJZSA-N 2 2 387.911 3.139 20 0 GGADLP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245395669 1433460019 /nfs/dbraw/zinc/46/00/19/1433460019.db2.gz ILOJSPYAZQJDOF-BZSNNMDCSA-N 2 2 376.545 3.148 20 0 GGADLP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245395669 1433460020 /nfs/dbraw/zinc/46/00/20/1433460020.db2.gz ILOJSPYAZQJDOF-BZSNNMDCSA-N 2 2 376.545 3.148 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245432781 1433466490 /nfs/dbraw/zinc/46/64/90/1433466490.db2.gz BLWQDOYZYAEDTB-DLBZAZTESA-N 2 2 388.581 3.449 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245432781 1433466492 /nfs/dbraw/zinc/46/64/92/1433466492.db2.gz BLWQDOYZYAEDTB-DLBZAZTESA-N 2 2 388.581 3.449 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245432781 1433466494 /nfs/dbraw/zinc/46/64/94/1433466494.db2.gz BLWQDOYZYAEDTB-DLBZAZTESA-N 2 2 388.581 3.449 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245432781 1433466497 /nfs/dbraw/zinc/46/64/97/1433466497.db2.gz BLWQDOYZYAEDTB-DLBZAZTESA-N 2 2 388.581 3.449 20 0 GGADLP C[C@@H](C(=O)NCCc1cccs1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245439877 1433467922 /nfs/dbraw/zinc/46/79/22/1433467922.db2.gz GCUVSCVQJVDQNF-AZUAARDMSA-N 2 2 385.577 3.249 20 0 GGADLP C[C@@H](C(=O)NCCc1cccs1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245439877 1433467925 /nfs/dbraw/zinc/46/79/25/1433467925.db2.gz GCUVSCVQJVDQNF-AZUAARDMSA-N 2 2 385.577 3.249 20 0 GGADLP C[C@@H](C(=O)NCCc1cccs1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245439877 1433467928 /nfs/dbraw/zinc/46/79/28/1433467928.db2.gz GCUVSCVQJVDQNF-AZUAARDMSA-N 2 2 385.577 3.249 20 0 GGADLP C[C@@H](C(=O)NCCc1cccs1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245439877 1433467929 /nfs/dbraw/zinc/46/79/29/1433467929.db2.gz GCUVSCVQJVDQNF-AZUAARDMSA-N 2 2 385.577 3.249 20 0 GGADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245451153 1433469949 /nfs/dbraw/zinc/46/99/49/1433469949.db2.gz PFICULWNVAKTTQ-GHTZIAJQSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245451153 1433469953 /nfs/dbraw/zinc/46/99/53/1433469953.db2.gz PFICULWNVAKTTQ-GHTZIAJQSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245451153 1433469956 /nfs/dbraw/zinc/46/99/56/1433469956.db2.gz PFICULWNVAKTTQ-GHTZIAJQSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245451153 1433469959 /nfs/dbraw/zinc/46/99/59/1433469959.db2.gz PFICULWNVAKTTQ-GHTZIAJQSA-N 2 2 383.511 3.284 20 0 GGADLP COc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245449165 1433470194 /nfs/dbraw/zinc/47/01/94/1433470194.db2.gz NLRAXMQODVZGEJ-PZJWPPBQSA-N 2 2 395.547 3.154 20 0 GGADLP COc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245449165 1433470203 /nfs/dbraw/zinc/47/02/03/1433470203.db2.gz NLRAXMQODVZGEJ-PZJWPPBQSA-N 2 2 395.547 3.154 20 0 GGADLP COc1ccccc1CNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245449165 1433470207 /nfs/dbraw/zinc/47/02/07/1433470207.db2.gz NLRAXMQODVZGEJ-PZJWPPBQSA-N 2 2 395.547 3.154 20 0 GGADLP COc1ccccc1CNC(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245449165 1433470215 /nfs/dbraw/zinc/47/02/15/1433470215.db2.gz NLRAXMQODVZGEJ-PZJWPPBQSA-N 2 2 395.547 3.154 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000245456865 1433471327 /nfs/dbraw/zinc/47/13/27/1433471327.db2.gz UBCMOLGDDUQGOF-UYAOXDASSA-N 2 2 397.563 3.469 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000245456865 1433471332 /nfs/dbraw/zinc/47/13/32/1433471332.db2.gz UBCMOLGDDUQGOF-UYAOXDASSA-N 2 2 397.563 3.469 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000245456865 1433471340 /nfs/dbraw/zinc/47/13/40/1433471340.db2.gz UBCMOLGDDUQGOF-UYAOXDASSA-N 2 2 397.563 3.469 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000245456865 1433471344 /nfs/dbraw/zinc/47/13/44/1433471344.db2.gz UBCMOLGDDUQGOF-UYAOXDASSA-N 2 2 397.563 3.469 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000245495564 1433477325 /nfs/dbraw/zinc/47/73/25/1433477325.db2.gz PSVDFLSTRJTVJU-CRAIPNDOSA-N 2 2 389.931 3.163 20 0 GGADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245621477 1433491963 /nfs/dbraw/zinc/49/19/63/1433491963.db2.gz BAJMUHJTNZRNEO-CWFSZBLJSA-N 2 2 390.572 3.191 20 0 GGADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245621477 1433491965 /nfs/dbraw/zinc/49/19/65/1433491965.db2.gz BAJMUHJTNZRNEO-CWFSZBLJSA-N 2 2 390.572 3.191 20 0 GGADLP CN(C(=O)CSC(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245627879 1433492825 /nfs/dbraw/zinc/49/28/25/1433492825.db2.gz CVJCRZVZFIKDCK-HUUCEWRRSA-N 2 2 381.508 3.035 20 0 GGADLP CN(C(=O)CSC(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245627879 1433492827 /nfs/dbraw/zinc/49/28/27/1433492827.db2.gz CVJCRZVZFIKDCK-HUUCEWRRSA-N 2 2 381.508 3.035 20 0 GGADLP COc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245687511 1433499446 /nfs/dbraw/zinc/49/94/46/1433499446.db2.gz IVTLUAGMFJEZCC-FCHUYYIVSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245687511 1433499448 /nfs/dbraw/zinc/49/94/48/1433499448.db2.gz IVTLUAGMFJEZCC-FCHUYYIVSA-N 2 2 387.568 3.033 20 0 GGADLP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000245702398 1433502508 /nfs/dbraw/zinc/50/25/08/1433502508.db2.gz LPDINCGVLANNMZ-DLBZAZTESA-N 2 2 379.570 3.411 20 0 GGADLP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000245702398 1433502509 /nfs/dbraw/zinc/50/25/09/1433502509.db2.gz LPDINCGVLANNMZ-DLBZAZTESA-N 2 2 379.570 3.411 20 0 GGADLP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000245702404 1433502627 /nfs/dbraw/zinc/50/26/27/1433502627.db2.gz LPDINCGVLANNMZ-IAGOWNOFSA-N 2 2 379.570 3.411 20 0 GGADLP CSc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000245702404 1433502629 /nfs/dbraw/zinc/50/26/29/1433502629.db2.gz LPDINCGVLANNMZ-IAGOWNOFSA-N 2 2 379.570 3.411 20 0 GGADLP CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245702408 1433502767 /nfs/dbraw/zinc/50/27/67/1433502767.db2.gz LPQPHHXOKKXAOW-LEWJYISDSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)COc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245702408 1433502772 /nfs/dbraw/zinc/50/27/72/1433502772.db2.gz LPQPHHXOKKXAOW-LEWJYISDSA-N 2 2 391.531 3.000 20 0 GGADLP COc1csc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245716901 1433504901 /nfs/dbraw/zinc/50/49/01/1433504901.db2.gz OTAVLZMGWKWPFW-ZWKOTPCHSA-N 2 2 379.570 3.166 20 0 GGADLP COc1csc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245716901 1433504905 /nfs/dbraw/zinc/50/49/05/1433504905.db2.gz OTAVLZMGWKWPFW-ZWKOTPCHSA-N 2 2 379.570 3.166 20 0 GGADLP COCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245714551 1433505035 /nfs/dbraw/zinc/50/50/35/1433505035.db2.gz ODODALIKXFMDIQ-FGZHOGPDSA-N 2 2 387.568 3.242 20 0 GGADLP COCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245714551 1433505039 /nfs/dbraw/zinc/50/50/39/1433505039.db2.gz ODODALIKXFMDIQ-FGZHOGPDSA-N 2 2 387.568 3.242 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245721793 1433505964 /nfs/dbraw/zinc/50/59/64/1433505964.db2.gz UVBIXZFDCQENJX-IRFCIJBXSA-N 2 2 384.524 3.050 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245721793 1433505969 /nfs/dbraw/zinc/50/59/69/1433505969.db2.gz UVBIXZFDCQENJX-IRFCIJBXSA-N 2 2 384.524 3.050 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3ccncc3)CC2)cc1 ZINC000245740458 1433509518 /nfs/dbraw/zinc/50/95/18/1433509518.db2.gz XDIOMENLYZIOGA-QHCPKHFHSA-N 2 2 392.547 3.261 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3c3ccncc3)CC2)cc1 ZINC000245740458 1433509522 /nfs/dbraw/zinc/50/95/22/1433509522.db2.gz XDIOMENLYZIOGA-QHCPKHFHSA-N 2 2 392.547 3.261 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3c3ccncc3)CC2)cc1 ZINC000245740458 1433509525 /nfs/dbraw/zinc/50/95/25/1433509525.db2.gz XDIOMENLYZIOGA-QHCPKHFHSA-N 2 2 392.547 3.261 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@H]3c3ccncc3)CC2)cc1 ZINC000245740458 1433509530 /nfs/dbraw/zinc/50/95/30/1433509530.db2.gz XDIOMENLYZIOGA-QHCPKHFHSA-N 2 2 392.547 3.261 20 0 GGADLP CN(C(=O)[C@@H]1OCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245742598 1433509750 /nfs/dbraw/zinc/50/97/50/1433509750.db2.gz VUAOMQPPLVKQIR-DNVJHFABSA-N 2 2 399.579 3.096 20 0 GGADLP CN(C(=O)[C@@H]1OCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245742598 1433509753 /nfs/dbraw/zinc/50/97/53/1433509753.db2.gz VUAOMQPPLVKQIR-DNVJHFABSA-N 2 2 399.579 3.096 20 0 GGADLP CN(C(=O)[C@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245745051 1433509768 /nfs/dbraw/zinc/50/97/68/1433509768.db2.gz WHFPRWOZXWVCSC-BHDDXSALSA-N 2 2 399.579 3.348 20 0 GGADLP CN(C(=O)[C@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245745051 1433509774 /nfs/dbraw/zinc/50/97/74/1433509774.db2.gz WHFPRWOZXWVCSC-BHDDXSALSA-N 2 2 399.579 3.348 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245756306 1433512744 /nfs/dbraw/zinc/51/27/44/1433512744.db2.gz ZNVGMYQUYPAXKO-SPYBWZPUSA-N 2 2 376.451 3.264 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245756306 1433512745 /nfs/dbraw/zinc/51/27/45/1433512745.db2.gz ZNVGMYQUYPAXKO-SPYBWZPUSA-N 2 2 376.451 3.264 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245805690 1433520775 /nfs/dbraw/zinc/52/07/75/1433520775.db2.gz BJMDDSTWCNRBOO-AEFFLSMTSA-N 2 2 381.442 3.297 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245805690 1433520782 /nfs/dbraw/zinc/52/07/82/1433520782.db2.gz BJMDDSTWCNRBOO-AEFFLSMTSA-N 2 2 381.442 3.297 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245828848 1433522635 /nfs/dbraw/zinc/52/26/35/1433522635.db2.gz FYAAKHJJBQCTQA-ICSRJNTNSA-N 2 2 398.551 3.341 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245828848 1433522638 /nfs/dbraw/zinc/52/26/38/1433522638.db2.gz FYAAKHJJBQCTQA-ICSRJNTNSA-N 2 2 398.551 3.341 20 0 GGADLP CC1(C)[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245850900 1433525983 /nfs/dbraw/zinc/52/59/83/1433525983.db2.gz GIQIUUCGNQRQRJ-YTFSRNRJSA-N 2 2 385.596 3.378 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245853454 1433526882 /nfs/dbraw/zinc/52/68/82/1433526882.db2.gz JRFFORXZSFZWTM-UYAOXDASSA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245853454 1433526883 /nfs/dbraw/zinc/52/68/83/1433526883.db2.gz JRFFORXZSFZWTM-UYAOXDASSA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245857261 1433527367 /nfs/dbraw/zinc/52/73/67/1433527367.db2.gz KGNKOXWAGAOLTI-NVXWUHKLSA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245857261 1433527368 /nfs/dbraw/zinc/52/73/68/1433527368.db2.gz KGNKOXWAGAOLTI-NVXWUHKLSA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000245893659 1433536032 /nfs/dbraw/zinc/53/60/32/1433536032.db2.gz SCDPQLXZBJTUHD-KSSFIOAISA-N 2 2 390.890 3.273 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000245893659 1433536035 /nfs/dbraw/zinc/53/60/35/1433536035.db2.gz SCDPQLXZBJTUHD-KSSFIOAISA-N 2 2 390.890 3.273 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000245901648 1433538571 /nfs/dbraw/zinc/53/85/71/1433538571.db2.gz QAATUFBHOLSDIU-FPOVZHCZSA-N 2 2 382.552 3.231 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000245901648 1433538574 /nfs/dbraw/zinc/53/85/74/1433538574.db2.gz QAATUFBHOLSDIU-FPOVZHCZSA-N 2 2 382.552 3.231 20 0 GGADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245906757 1433539136 /nfs/dbraw/zinc/53/91/36/1433539136.db2.gz IDVIBODHVDBJEV-XUVXKRRUSA-N 2 2 386.584 3.239 20 0 GGADLP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245906757 1433539139 /nfs/dbraw/zinc/53/91/39/1433539139.db2.gz IDVIBODHVDBJEV-XUVXKRRUSA-N 2 2 386.584 3.239 20 0 GGADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245906753 1433539240 /nfs/dbraw/zinc/53/92/40/1433539240.db2.gz IDVIBODHVDBJEV-SLFFLAALSA-N 2 2 386.584 3.239 20 0 GGADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245906753 1433539248 /nfs/dbraw/zinc/53/92/48/1433539248.db2.gz IDVIBODHVDBJEV-SLFFLAALSA-N 2 2 386.584 3.239 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245915192 1433541029 /nfs/dbraw/zinc/54/10/29/1433541029.db2.gz RUWUYZGXYQOOTN-GHTZIAJQSA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245915192 1433541033 /nfs/dbraw/zinc/54/10/33/1433541033.db2.gz RUWUYZGXYQOOTN-GHTZIAJQSA-N 2 2 379.504 3.268 20 0 GGADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245930336 1433545592 /nfs/dbraw/zinc/54/55/92/1433545592.db2.gz ZXMDNUIHTOSDSN-OPYAIIAOSA-N 2 2 388.556 3.100 20 0 GGADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245930336 1433545597 /nfs/dbraw/zinc/54/55/97/1433545597.db2.gz ZXMDNUIHTOSDSN-OPYAIIAOSA-N 2 2 388.556 3.100 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)C1 ZINC000245933309 1433546589 /nfs/dbraw/zinc/54/65/89/1433546589.db2.gz JXVNEUAEOYGKKX-UEXGIBASSA-N 2 2 380.536 3.240 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)C1 ZINC000245933309 1433546590 /nfs/dbraw/zinc/54/65/90/1433546590.db2.gz JXVNEUAEOYGKKX-UEXGIBASSA-N 2 2 380.536 3.240 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246010864 1433557545 /nfs/dbraw/zinc/55/75/45/1433557545.db2.gz ZNIMYNAQALHKHH-GDBMZVCRSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246010864 1433557551 /nfs/dbraw/zinc/55/75/51/1433557551.db2.gz ZNIMYNAQALHKHH-GDBMZVCRSA-N 2 2 398.334 3.421 20 0 GGADLP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000246060321 1433562845 /nfs/dbraw/zinc/56/28/45/1433562845.db2.gz GIYHCFLVDKEHHU-QAPCUYQASA-N 2 2 389.931 3.054 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000246091779 1433567268 /nfs/dbraw/zinc/56/72/68/1433567268.db2.gz JQXQLYHLGRAJQF-KSSFIOAISA-N 2 2 390.890 3.273 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000246153868 1433575472 /nfs/dbraw/zinc/57/54/72/1433575472.db2.gz KGEDUJNQOYOCPT-GOSISDBHSA-N 2 2 383.540 3.138 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000246153868 1433575476 /nfs/dbraw/zinc/57/54/76/1433575476.db2.gz KGEDUJNQOYOCPT-GOSISDBHSA-N 2 2 383.540 3.138 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000246153868 1433575480 /nfs/dbraw/zinc/57/54/80/1433575480.db2.gz KGEDUJNQOYOCPT-GOSISDBHSA-N 2 2 383.540 3.138 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000246153868 1433575484 /nfs/dbraw/zinc/57/54/84/1433575484.db2.gz KGEDUJNQOYOCPT-GOSISDBHSA-N 2 2 383.540 3.138 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163607 1433576735 /nfs/dbraw/zinc/57/67/35/1433576735.db2.gz IIIZMNPSKMQUIN-UGKGYDQZSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163607 1433576739 /nfs/dbraw/zinc/57/67/39/1433576739.db2.gz IIIZMNPSKMQUIN-UGKGYDQZSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163607 1433576742 /nfs/dbraw/zinc/57/67/42/1433576742.db2.gz IIIZMNPSKMQUIN-UGKGYDQZSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163607 1433576745 /nfs/dbraw/zinc/57/67/45/1433576745.db2.gz IIIZMNPSKMQUIN-UGKGYDQZSA-N 2 2 387.568 3.413 20 0 GGADLP CN(C(=O)NC[C@@H]1Cc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246192749 1433580408 /nfs/dbraw/zinc/58/04/08/1433580408.db2.gz DLRMKMGHLKXBCL-WWPVKYPJSA-N 2 2 398.595 3.305 20 0 GGADLP CN(C(=O)NC[C@@H]1Cc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246192749 1433580410 /nfs/dbraw/zinc/58/04/10/1433580410.db2.gz DLRMKMGHLKXBCL-WWPVKYPJSA-N 2 2 398.595 3.305 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246221811 1433583430 /nfs/dbraw/zinc/58/34/30/1433583430.db2.gz QOCSNESKLRELNL-CVEARBPZSA-N 2 2 381.923 3.244 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246221811 1433583433 /nfs/dbraw/zinc/58/34/33/1433583433.db2.gz QOCSNESKLRELNL-CVEARBPZSA-N 2 2 381.923 3.244 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246318356 1433594305 /nfs/dbraw/zinc/59/43/05/1433594305.db2.gz RJPAAWFCPFETMV-RDTXWAMCSA-N 2 2 378.879 3.217 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246318356 1433594309 /nfs/dbraw/zinc/59/43/09/1433594309.db2.gz RJPAAWFCPFETMV-RDTXWAMCSA-N 2 2 378.879 3.217 20 0 GGADLP COc1cc(NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1 ZINC000246330423 1433595812 /nfs/dbraw/zinc/59/58/12/1433595812.db2.gz GCHJOPMRJYVNRK-HTAPYJJXSA-N 2 2 384.524 3.011 20 0 GGADLP COc1cc(NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc(OC)c1 ZINC000246330423 1433595815 /nfs/dbraw/zinc/59/58/15/1433595815.db2.gz GCHJOPMRJYVNRK-HTAPYJJXSA-N 2 2 384.524 3.011 20 0 GGADLP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429772 1433611904 /nfs/dbraw/zinc/61/19/04/1433611904.db2.gz CNOKOWSTEGTMBZ-ZYSHUDEJSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429772 1433611909 /nfs/dbraw/zinc/61/19/09/1433611909.db2.gz CNOKOWSTEGTMBZ-ZYSHUDEJSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429772 1433611911 /nfs/dbraw/zinc/61/19/11/1433611911.db2.gz CNOKOWSTEGTMBZ-ZYSHUDEJSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429772 1433611913 /nfs/dbraw/zinc/61/19/13/1433611913.db2.gz CNOKOWSTEGTMBZ-ZYSHUDEJSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429761 1433611940 /nfs/dbraw/zinc/61/19/40/1433611940.db2.gz CNOKOWSTEGTMBZ-KFKAGJAMSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429761 1433611943 /nfs/dbraw/zinc/61/19/43/1433611943.db2.gz CNOKOWSTEGTMBZ-KFKAGJAMSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429761 1433611945 /nfs/dbraw/zinc/61/19/45/1433611945.db2.gz CNOKOWSTEGTMBZ-KFKAGJAMSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429761 1433611947 /nfs/dbraw/zinc/61/19/47/1433611947.db2.gz CNOKOWSTEGTMBZ-KFKAGJAMSA-N 2 2 379.342 3.431 20 0 GGADLP CN(C(=O)NCCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246467339 1433617021 /nfs/dbraw/zinc/61/70/21/1433617021.db2.gz JIXLRLVUNGCHAG-FCHUYYIVSA-N 2 2 386.584 3.208 20 0 GGADLP CN(C(=O)NCCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246467339 1433617025 /nfs/dbraw/zinc/61/70/25/1433617025.db2.gz JIXLRLVUNGCHAG-FCHUYYIVSA-N 2 2 386.584 3.208 20 0 GGADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(C)C ZINC000246467709 1433617046 /nfs/dbraw/zinc/61/70/46/1433617046.db2.gz JJKHAWPVZRRSNM-RTBURBONSA-N 2 2 387.634 3.021 20 0 GGADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(C)C ZINC000246467709 1433617051 /nfs/dbraw/zinc/61/70/51/1433617051.db2.gz JJKHAWPVZRRSNM-RTBURBONSA-N 2 2 387.634 3.021 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000246500724 1433622182 /nfs/dbraw/zinc/62/21/82/1433622182.db2.gz HRROUOHSIFWKOB-LADGPHEKSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000246500724 1433622183 /nfs/dbraw/zinc/62/21/83/1433622183.db2.gz HRROUOHSIFWKOB-LADGPHEKSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000246500724 1433622184 /nfs/dbraw/zinc/62/21/84/1433622184.db2.gz HRROUOHSIFWKOB-LADGPHEKSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000246500724 1433622185 /nfs/dbraw/zinc/62/21/85/1433622185.db2.gz HRROUOHSIFWKOB-LADGPHEKSA-N 2 2 395.591 3.416 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246518653 1433624180 /nfs/dbraw/zinc/62/41/80/1433624180.db2.gz VHVBKKRYOUCZKT-DLBZAZTESA-N 2 2 380.536 3.215 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[C@@H]([NH+](C)C)C3)c2C1 ZINC000246518653 1433624185 /nfs/dbraw/zinc/62/41/85/1433624185.db2.gz VHVBKKRYOUCZKT-DLBZAZTESA-N 2 2 380.536 3.215 20 0 GGADLP CCSCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246528336 1433625662 /nfs/dbraw/zinc/62/56/62/1433625662.db2.gz KXYLJIVANWYABW-SXLOBPIMSA-N 2 2 398.661 3.497 20 0 GGADLP CCSCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246528336 1433625665 /nfs/dbraw/zinc/62/56/65/1433625665.db2.gz KXYLJIVANWYABW-SXLOBPIMSA-N 2 2 398.661 3.497 20 0 GGADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000246529240 1433625868 /nfs/dbraw/zinc/62/58/68/1433625868.db2.gz CPAOROKUMMYSIW-UIFIKXQLSA-N 2 2 381.524 3.143 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1Cl ZINC000246532120 1433626116 /nfs/dbraw/zinc/62/61/16/1433626116.db2.gz JLDVFPCUOJSHIA-FTRWYGJKSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1Cl ZINC000246532120 1433626122 /nfs/dbraw/zinc/62/61/22/1433626122.db2.gz JLDVFPCUOJSHIA-FTRWYGJKSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Cl ZINC000246532120 1433626126 /nfs/dbraw/zinc/62/61/26/1433626126.db2.gz JLDVFPCUOJSHIA-FTRWYGJKSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Cl ZINC000246532120 1433626133 /nfs/dbraw/zinc/62/61/33/1433626133.db2.gz JLDVFPCUOJSHIA-FTRWYGJKSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1Cl ZINC000246532151 1433626270 /nfs/dbraw/zinc/62/62/70/1433626270.db2.gz JLDVFPCUOJSHIA-YRNRMSPPSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1Cl ZINC000246532151 1433626271 /nfs/dbraw/zinc/62/62/71/1433626271.db2.gz JLDVFPCUOJSHIA-YRNRMSPPSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Cl ZINC000246532151 1433626272 /nfs/dbraw/zinc/62/62/72/1433626272.db2.gz JLDVFPCUOJSHIA-YRNRMSPPSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Cl ZINC000246532151 1433626273 /nfs/dbraw/zinc/62/62/73/1433626273.db2.gz JLDVFPCUOJSHIA-YRNRMSPPSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1Cl ZINC000246532136 1433626295 /nfs/dbraw/zinc/62/62/95/1433626295.db2.gz JLDVFPCUOJSHIA-TWOQFEAHSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1Cl ZINC000246532136 1433626296 /nfs/dbraw/zinc/62/62/96/1433626296.db2.gz JLDVFPCUOJSHIA-TWOQFEAHSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Cl ZINC000246532136 1433626297 /nfs/dbraw/zinc/62/62/97/1433626297.db2.gz JLDVFPCUOJSHIA-TWOQFEAHSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Cl ZINC000246532136 1433626298 /nfs/dbraw/zinc/62/62/98/1433626298.db2.gz JLDVFPCUOJSHIA-TWOQFEAHSA-N 2 2 375.944 3.466 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)CC1 ZINC000246536991 1433627107 /nfs/dbraw/zinc/62/71/07/1433627107.db2.gz JMJSBIJKMNMGBY-UYAOXDASSA-N 2 2 383.540 3.126 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)CC1 ZINC000246536991 1433627108 /nfs/dbraw/zinc/62/71/08/1433627108.db2.gz JMJSBIJKMNMGBY-UYAOXDASSA-N 2 2 383.540 3.126 20 0 GGADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246550257 1433629762 /nfs/dbraw/zinc/62/97/62/1433629762.db2.gz WMSSVFSIVRAMID-PUHATCMVSA-N 2 2 377.532 3.477 20 0 GGADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246550257 1433629765 /nfs/dbraw/zinc/62/97/65/1433629765.db2.gz WMSSVFSIVRAMID-PUHATCMVSA-N 2 2 377.532 3.477 20 0 GGADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246550247 1433629894 /nfs/dbraw/zinc/62/98/94/1433629894.db2.gz WMSSVFSIVRAMID-PMVMPFDFSA-N 2 2 377.532 3.477 20 0 GGADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000246550247 1433629899 /nfs/dbraw/zinc/62/98/99/1433629899.db2.gz WMSSVFSIVRAMID-PMVMPFDFSA-N 2 2 377.532 3.477 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000246561799 1433631422 /nfs/dbraw/zinc/63/14/22/1433631422.db2.gz XESSGGSDVQOKOQ-FXAWDEMLSA-N 2 2 377.492 3.174 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000246561799 1433631424 /nfs/dbraw/zinc/63/14/24/1433631424.db2.gz XESSGGSDVQOKOQ-FXAWDEMLSA-N 2 2 377.492 3.174 20 0 GGADLP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1Br ZINC000246749182 1433659853 /nfs/dbraw/zinc/65/98/53/1433659853.db2.gz QAOKWHOUSGLKAE-MDASCCDHSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1Br ZINC000246749182 1433659857 /nfs/dbraw/zinc/65/98/57/1433659857.db2.gz QAOKWHOUSGLKAE-MDASCCDHSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000246749182 1433659862 /nfs/dbraw/zinc/65/98/62/1433659862.db2.gz QAOKWHOUSGLKAE-MDASCCDHSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Br ZINC000246749182 1433659866 /nfs/dbraw/zinc/65/98/66/1433659866.db2.gz QAOKWHOUSGLKAE-MDASCCDHSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1Br ZINC000246749196 1433659911 /nfs/dbraw/zinc/65/99/11/1433659911.db2.gz QAOKWHOUSGLKAE-ZOCIIQOWSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1Br ZINC000246749196 1433659914 /nfs/dbraw/zinc/65/99/14/1433659914.db2.gz QAOKWHOUSGLKAE-ZOCIIQOWSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000246749196 1433659920 /nfs/dbraw/zinc/65/99/20/1433659920.db2.gz QAOKWHOUSGLKAE-ZOCIIQOWSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Br ZINC000246749196 1433659924 /nfs/dbraw/zinc/65/99/24/1433659924.db2.gz QAOKWHOUSGLKAE-ZOCIIQOWSA-N 2 2 379.342 3.431 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000246831916 1433676030 /nfs/dbraw/zinc/67/60/30/1433676030.db2.gz ALQUYJYZNDKIHT-UXPWSPDFSA-N 2 2 393.453 3.332 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000246831916 1433676031 /nfs/dbraw/zinc/67/60/31/1433676031.db2.gz ALQUYJYZNDKIHT-UXPWSPDFSA-N 2 2 393.453 3.332 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246841151 1433677283 /nfs/dbraw/zinc/67/72/83/1433677283.db2.gz ZUFPQWDEKXSCKK-CZAAIQMYSA-N 2 2 388.471 3.251 20 0 GGADLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000246841151 1433677288 /nfs/dbraw/zinc/67/72/88/1433677288.db2.gz ZUFPQWDEKXSCKK-CZAAIQMYSA-N 2 2 388.471 3.251 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246841177 1433677359 /nfs/dbraw/zinc/67/73/59/1433677359.db2.gz ZUFPQWDEKXSCKK-MAODMQOUSA-N 2 2 388.471 3.251 20 0 GGADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246841177 1433677364 /nfs/dbraw/zinc/67/73/64/1433677364.db2.gz ZUFPQWDEKXSCKK-MAODMQOUSA-N 2 2 388.471 3.251 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)c3ccncc3)CC2)cc1 ZINC000246859234 1433679240 /nfs/dbraw/zinc/67/92/40/1433679240.db2.gz SIOXEVGPYMXADS-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)c3ccncc3)CC2)cc1 ZINC000246859234 1433679242 /nfs/dbraw/zinc/67/92/42/1433679242.db2.gz SIOXEVGPYMXADS-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3ccncc3)CC2)cc1 ZINC000246859234 1433679247 /nfs/dbraw/zinc/67/92/47/1433679247.db2.gz SIOXEVGPYMXADS-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3ccncc3)CC2)cc1 ZINC000246859234 1433679250 /nfs/dbraw/zinc/67/92/50/1433679250.db2.gz SIOXEVGPYMXADS-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP O=C(COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCC1 ZINC000246883305 1433682374 /nfs/dbraw/zinc/68/23/74/1433682374.db2.gz TUYVMWLAWLTZBF-SIKLNZKXSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCC1 ZINC000246883305 1433682376 /nfs/dbraw/zinc/68/23/76/1433682376.db2.gz TUYVMWLAWLTZBF-SIKLNZKXSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCC1 ZINC000246883305 1433682379 /nfs/dbraw/zinc/68/23/79/1433682379.db2.gz TUYVMWLAWLTZBF-SIKLNZKXSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCC1 ZINC000246883305 1433682381 /nfs/dbraw/zinc/68/23/81/1433682381.db2.gz TUYVMWLAWLTZBF-SIKLNZKXSA-N 2 2 397.563 3.137 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000246912157 1433686308 /nfs/dbraw/zinc/68/63/08/1433686308.db2.gz HNTNYJMNLZCZHU-HYBUGGRVSA-N 3 2 396.579 3.412 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000246912157 1433686309 /nfs/dbraw/zinc/68/63/09/1433686309.db2.gz HNTNYJMNLZCZHU-HYBUGGRVSA-N 3 2 396.579 3.412 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000246916260 1433687067 /nfs/dbraw/zinc/68/70/67/1433687067.db2.gz GMUABFYVVUMZGS-WMZHIEFXSA-N 2 2 375.520 3.310 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000246916260 1433687072 /nfs/dbraw/zinc/68/70/72/1433687072.db2.gz GMUABFYVVUMZGS-WMZHIEFXSA-N 2 2 375.520 3.310 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000246931787 1433688880 /nfs/dbraw/zinc/68/88/80/1433688880.db2.gz HECLCGDTKOLXDC-WMZHIEFXSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000246931787 1433688884 /nfs/dbraw/zinc/68/88/84/1433688884.db2.gz HECLCGDTKOLXDC-WMZHIEFXSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000246931770 1433688905 /nfs/dbraw/zinc/68/89/05/1433688905.db2.gz HECLCGDTKOLXDC-AUSIDOKSSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000246931770 1433688908 /nfs/dbraw/zinc/68/89/08/1433688908.db2.gz HECLCGDTKOLXDC-AUSIDOKSSA-N 2 2 392.547 3.204 20 0 GGADLP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247198835 1433689866 /nfs/dbraw/zinc/68/98/66/1433689866.db2.gz WDPSDBRGKCKFCR-XMSQKQJNSA-N 2 2 380.536 3.222 20 0 GGADLP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247198835 1433689867 /nfs/dbraw/zinc/68/98/67/1433689867.db2.gz WDPSDBRGKCKFCR-XMSQKQJNSA-N 2 2 380.536 3.222 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000247216609 1433692066 /nfs/dbraw/zinc/69/20/66/1433692066.db2.gz XHUMZGBIAFEIEP-TZIWHRDSSA-N 2 2 388.625 3.243 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000247216609 1433692068 /nfs/dbraw/zinc/69/20/68/1433692068.db2.gz XHUMZGBIAFEIEP-TZIWHRDSSA-N 2 2 388.625 3.243 20 0 GGADLP CN(C(=O)NCc1ccsc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247222873 1433692468 /nfs/dbraw/zinc/69/24/68/1433692468.db2.gz ZCOMKUWSJSAOIK-RTBURBONSA-N 2 2 378.586 3.227 20 0 GGADLP CN(C(=O)NCc1ccsc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247222873 1433692471 /nfs/dbraw/zinc/69/24/71/1433692471.db2.gz ZCOMKUWSJSAOIK-RTBURBONSA-N 2 2 378.586 3.227 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000247233588 1433694386 /nfs/dbraw/zinc/69/43/86/1433694386.db2.gz ZJVXHBYMBBYBSR-WMQCIHAUSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000247233588 1433694389 /nfs/dbraw/zinc/69/43/89/1433694389.db2.gz ZJVXHBYMBBYBSR-WMQCIHAUSA-N 2 2 387.572 3.121 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247300466 1433702230 /nfs/dbraw/zinc/70/22/30/1433702230.db2.gz FDLINAXGUUMYMX-QIJUGHKUSA-N 2 2 395.551 3.389 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247300466 1433702234 /nfs/dbraw/zinc/70/22/34/1433702234.db2.gz FDLINAXGUUMYMX-QIJUGHKUSA-N 2 2 395.551 3.389 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)Cc1ccccc1 ZINC000247407215 1433718178 /nfs/dbraw/zinc/71/81/78/1433718178.db2.gz YEUYZNQRQGDYLC-NHCUHLMSSA-N 2 2 397.567 3.050 20 0 GGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000247425545 1433721161 /nfs/dbraw/zinc/72/11/61/1433721161.db2.gz ZKVSLUDPNOFFEX-MOPGFXCFSA-N 2 2 389.588 3.285 20 0 GGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000247425545 1433721170 /nfs/dbraw/zinc/72/11/70/1433721170.db2.gz ZKVSLUDPNOFFEX-MOPGFXCFSA-N 2 2 389.588 3.285 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccco1 ZINC000247524235 1433733043 /nfs/dbraw/zinc/73/30/43/1433733043.db2.gz OKHDJQVHOFUNJW-SBHAEUEKSA-N 2 2 393.491 3.307 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247539429 1433734657 /nfs/dbraw/zinc/73/46/57/1433734657.db2.gz JXVDCACGOHWKSA-HMXCVIKNSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247539429 1433734667 /nfs/dbraw/zinc/73/46/67/1433734667.db2.gz JXVDCACGOHWKSA-HMXCVIKNSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247542165 1433735419 /nfs/dbraw/zinc/73/54/19/1433735419.db2.gz KBQTVXRZGMYTGS-CPUCHLNUSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247542165 1433735420 /nfs/dbraw/zinc/73/54/20/1433735420.db2.gz KBQTVXRZGMYTGS-CPUCHLNUSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000247550999 1433735889 /nfs/dbraw/zinc/73/58/89/1433735889.db2.gz QXCBLHJKCLXECB-KXTWHKPSSA-N 2 2 383.540 3.071 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000247550999 1433735894 /nfs/dbraw/zinc/73/58/94/1433735894.db2.gz QXCBLHJKCLXECB-KXTWHKPSSA-N 2 2 383.540 3.071 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)Cc1ccccc1 ZINC000247548707 1433736015 /nfs/dbraw/zinc/73/60/15/1433736015.db2.gz KINVENGOKZPETP-BVSLBCMMSA-N 2 2 397.567 3.429 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247576256 1433739020 /nfs/dbraw/zinc/73/90/20/1433739020.db2.gz HUVASWQMGPUXSL-SCTDSRPQSA-N 2 2 382.508 3.111 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)C1 ZINC000247576256 1433739026 /nfs/dbraw/zinc/73/90/26/1433739026.db2.gz HUVASWQMGPUXSL-SCTDSRPQSA-N 2 2 382.508 3.111 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000247642685 1433741813 /nfs/dbraw/zinc/74/18/13/1433741813.db2.gz OPMOOLUFWGBDKY-HMXCVIKNSA-N 2 2 381.524 3.313 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247660715 1433744719 /nfs/dbraw/zinc/74/47/19/1433744719.db2.gz PXVXBDRWASZHSG-GRDNDAEWSA-N 2 2 376.888 3.455 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247660715 1433744724 /nfs/dbraw/zinc/74/47/24/1433744724.db2.gz PXVXBDRWASZHSG-GRDNDAEWSA-N 2 2 376.888 3.455 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247660717 1433744895 /nfs/dbraw/zinc/74/48/95/1433744895.db2.gz PXVXBDRWASZHSG-JKIFEVAISA-N 2 2 376.888 3.455 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247660717 1433744900 /nfs/dbraw/zinc/74/49/00/1433744900.db2.gz PXVXBDRWASZHSG-JKIFEVAISA-N 2 2 376.888 3.455 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247942417 1433757930 /nfs/dbraw/zinc/75/79/30/1433757930.db2.gz DCFGYSGKCYJTLT-MISYRCLQSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000247942417 1433757935 /nfs/dbraw/zinc/75/79/35/1433757935.db2.gz DCFGYSGKCYJTLT-MISYRCLQSA-N 2 2 388.556 3.281 20 0 GGADLP 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C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000248738924 1433819093 /nfs/dbraw/zinc/81/90/93/1433819093.db2.gz DXARPXTWLCQQLR-UYAOXDASSA-N 2 2 381.524 3.093 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000248764834 1433820862 /nfs/dbraw/zinc/82/08/62/1433820862.db2.gz GWAQATZFCOVWAO-XLIONFOSSA-N 2 2 396.535 3.369 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000248764834 1433820864 /nfs/dbraw/zinc/82/08/64/1433820864.db2.gz GWAQATZFCOVWAO-XLIONFOSSA-N 2 2 396.535 3.369 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000248822547 1433824079 /nfs/dbraw/zinc/82/40/79/1433824079.db2.gz LMRFRMSVUXZAAS-GHTZIAJQSA-N 2 2 393.535 3.002 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000248822547 1433824081 /nfs/dbraw/zinc/82/40/81/1433824081.db2.gz LMRFRMSVUXZAAS-GHTZIAJQSA-N 2 2 393.535 3.002 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248829354 1433824600 /nfs/dbraw/zinc/82/46/00/1433824600.db2.gz DTQOMZKAPRVFAQ-KIFXHHALSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248829354 1433824601 /nfs/dbraw/zinc/82/46/01/1433824601.db2.gz DTQOMZKAPRVFAQ-KIFXHHALSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248829354 1433824603 /nfs/dbraw/zinc/82/46/03/1433824603.db2.gz DTQOMZKAPRVFAQ-KIFXHHALSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248829354 1433824604 /nfs/dbraw/zinc/82/46/04/1433824604.db2.gz DTQOMZKAPRVFAQ-KIFXHHALSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([S@@](C)=O)cc1 ZINC000248834271 1433825014 /nfs/dbraw/zinc/82/50/14/1433825014.db2.gz MSZZOFFNYZYHIX-INXRYCJYSA-N 2 2 386.561 3.366 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([S@@](C)=O)cc1 ZINC000248834271 1433825015 /nfs/dbraw/zinc/82/50/15/1433825015.db2.gz MSZZOFFNYZYHIX-INXRYCJYSA-N 2 2 386.561 3.366 20 0 GGADLP CCOC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000248863134 1433826340 /nfs/dbraw/zinc/82/63/40/1433826340.db2.gz BOAMENDHYCSOMN-HBMCJLEFSA-N 2 2 396.620 3.026 20 0 GGADLP CCOC[C@H](NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000248863134 1433826341 /nfs/dbraw/zinc/82/63/41/1433826341.db2.gz BOAMENDHYCSOMN-HBMCJLEFSA-N 2 2 396.620 3.026 20 0 GGADLP CCOC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000248863139 1433826349 /nfs/dbraw/zinc/82/63/49/1433826349.db2.gz BOAMENDHYCSOMN-PWRODBHTSA-N 2 2 396.620 3.026 20 0 GGADLP CCOC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000248863139 1433826352 /nfs/dbraw/zinc/82/63/52/1433826352.db2.gz BOAMENDHYCSOMN-PWRODBHTSA-N 2 2 396.620 3.026 20 0 GGADLP C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000249133446 1433836759 /nfs/dbraw/zinc/83/67/59/1433836759.db2.gz TUJBNYNXZVLNKY-YYZRRKBYSA-N 2 2 383.536 3.304 20 0 GGADLP C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000249133446 1433836760 /nfs/dbraw/zinc/83/67/60/1433836760.db2.gz TUJBNYNXZVLNKY-YYZRRKBYSA-N 2 2 383.536 3.304 20 0 GGADLP C[N@@H+]1CCN(CCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000249175284 1433838262 /nfs/dbraw/zinc/83/82/62/1433838262.db2.gz DYFKWFNXTXERBT-DHIUTWEWSA-N 2 2 389.547 3.468 20 0 GGADLP C[N@H+]1CCN(CCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000249175284 1433838263 /nfs/dbraw/zinc/83/82/63/1433838263.db2.gz DYFKWFNXTXERBT-DHIUTWEWSA-N 2 2 389.547 3.468 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000249192795 1433838497 /nfs/dbraw/zinc/83/84/97/1433838497.db2.gz OUQNLABJRLEYSS-KCITZHQASA-N 2 2 385.474 3.365 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000249192795 1433838498 /nfs/dbraw/zinc/83/84/98/1433838498.db2.gz OUQNLABJRLEYSS-KCITZHQASA-N 2 2 385.474 3.365 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)[C@@H](C)C1 ZINC000249275398 1433840070 /nfs/dbraw/zinc/84/00/70/1433840070.db2.gz JVCXMBIQTMKMOW-DAYGRLMNSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)[C@@H](C)C1 ZINC000249275398 1433840072 /nfs/dbraw/zinc/84/00/72/1433840072.db2.gz JVCXMBIQTMKMOW-DAYGRLMNSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000249389959 1433842351 /nfs/dbraw/zinc/84/23/51/1433842351.db2.gz RTFICAZPXYQFCY-LPHOPBHVSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000249389959 1433842352 /nfs/dbraw/zinc/84/23/52/1433842352.db2.gz RTFICAZPXYQFCY-LPHOPBHVSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000249392906 1433842493 /nfs/dbraw/zinc/84/24/93/1433842493.db2.gz AKWMOUVMPHOXKT-WMLDXEAASA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000249392906 1433842494 /nfs/dbraw/zinc/84/24/94/1433842494.db2.gz AKWMOUVMPHOXKT-WMLDXEAASA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000249395294 1433842571 /nfs/dbraw/zinc/84/25/71/1433842571.db2.gz AUPJYYQJCLAGDD-DOXZYTNZSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000249395294 1433842572 /nfs/dbraw/zinc/84/25/72/1433842572.db2.gz AUPJYYQJCLAGDD-DOXZYTNZSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)[C@@H](C)C1 ZINC000249417750 1433843259 /nfs/dbraw/zinc/84/32/59/1433843259.db2.gz GTNXONPSPNRCAH-MPGHIAIKSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)[C@@H](C)C1 ZINC000249417750 1433843260 /nfs/dbraw/zinc/84/32/60/1433843260.db2.gz GTNXONPSPNRCAH-MPGHIAIKSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000249417753 1433843297 /nfs/dbraw/zinc/84/32/97/1433843297.db2.gz GTNXONPSPNRCAH-RKVPGOIHSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000249417753 1433843298 /nfs/dbraw/zinc/84/32/98/1433843298.db2.gz GTNXONPSPNRCAH-RKVPGOIHSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3c(cccc3F)n2CC)[C@H](C)C1 ZINC000249436299 1433843792 /nfs/dbraw/zinc/84/37/92/1433843792.db2.gz LBSOOTCBTJZXCP-AEFFLSMTSA-N 2 2 376.520 3.422 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3c(cccc3F)n2CC)[C@H](C)C1 ZINC000249436299 1433843793 /nfs/dbraw/zinc/84/37/93/1433843793.db2.gz LBSOOTCBTJZXCP-AEFFLSMTSA-N 2 2 376.520 3.422 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)[C@@H](C)C1 ZINC000249456213 1433844236 /nfs/dbraw/zinc/84/42/36/1433844236.db2.gz PQZKPNKLCRLEHB-BQFCYCMXSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)[C@@H](C)C1 ZINC000249456213 1433844237 /nfs/dbraw/zinc/84/42/37/1433844237.db2.gz PQZKPNKLCRLEHB-BQFCYCMXSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000249495705 1433844954 /nfs/dbraw/zinc/84/49/54/1433844954.db2.gz WCVQSRZHSOPFLP-OTWHNJEPSA-N 2 2 391.556 3.057 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000249495705 1433844955 /nfs/dbraw/zinc/84/49/55/1433844955.db2.gz WCVQSRZHSOPFLP-OTWHNJEPSA-N 2 2 391.556 3.057 20 0 GGADLP O=C1[C@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1Cc1ccc(F)cc1F ZINC000249494846 1433845002 /nfs/dbraw/zinc/84/50/02/1433845002.db2.gz VXQRDBSHWWUPMI-LAUBAEHRSA-N 2 2 391.506 3.264 20 0 GGADLP O=C1[C@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1Cc1ccc(F)cc1F ZINC000249494846 1433845004 /nfs/dbraw/zinc/84/50/04/1433845004.db2.gz VXQRDBSHWWUPMI-LAUBAEHRSA-N 2 2 391.506 3.264 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000249504477 1433845314 /nfs/dbraw/zinc/84/53/14/1433845314.db2.gz YCUHOGXJJHBPNQ-SCTDSRPQSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000249504477 1433845315 /nfs/dbraw/zinc/84/53/15/1433845315.db2.gz YCUHOGXJJHBPNQ-SCTDSRPQSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000249508037 1433845385 /nfs/dbraw/zinc/84/53/85/1433845385.db2.gz ZASQZDYMTUERMW-HLIPFELVSA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000249508037 1433845386 /nfs/dbraw/zinc/84/53/86/1433845386.db2.gz ZASQZDYMTUERMW-HLIPFELVSA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000249508039 1433845488 /nfs/dbraw/zinc/84/54/88/1433845488.db2.gz ZASQZDYMTUERMW-QKLQHJQFSA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000249508039 1433845489 /nfs/dbraw/zinc/84/54/89/1433845489.db2.gz ZASQZDYMTUERMW-QKLQHJQFSA-N 2 2 393.597 3.462 20 0 GGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000249519861 1433846104 /nfs/dbraw/zinc/84/61/04/1433846104.db2.gz LCTAGNHSUHWAMU-GUDVDZBRSA-N 2 2 388.556 3.292 20 0 GGADLP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249742123 1433850715 /nfs/dbraw/zinc/85/07/15/1433850715.db2.gz JPNAMZPVVOAQAW-GUDVDZBRSA-N 2 2 388.556 3.149 20 0 GGADLP CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249742123 1433850716 /nfs/dbraw/zinc/85/07/16/1433850716.db2.gz JPNAMZPVVOAQAW-GUDVDZBRSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000249769243 1433851620 /nfs/dbraw/zinc/85/16/20/1433851620.db2.gz KNIHPFXVDSFKSB-QRVBRYPASA-N 2 2 383.540 3.097 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000251736201 1433860258 /nfs/dbraw/zinc/86/02/58/1433860258.db2.gz PRZAGCFISWAJDD-STZQEDGTSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000251736201 1433860259 /nfs/dbraw/zinc/86/02/59/1433860259.db2.gz PRZAGCFISWAJDD-STZQEDGTSA-N 2 2 395.551 3.386 20 0 GGADLP COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)c1 ZINC000252643982 1433863723 /nfs/dbraw/zinc/86/37/23/1433863723.db2.gz HXRWZOLFNMEKKO-NMNUPHIUSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)c1 ZINC000252643982 1433863724 /nfs/dbraw/zinc/86/37/24/1433863724.db2.gz HXRWZOLFNMEKKO-NMNUPHIUSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)N(C)C)c1 ZINC000252643982 1433863726 /nfs/dbraw/zinc/86/37/26/1433863726.db2.gz HXRWZOLFNMEKKO-NMNUPHIUSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)N(C)C)c1 ZINC000252643982 1433863727 /nfs/dbraw/zinc/86/37/27/1433863727.db2.gz HXRWZOLFNMEKKO-NMNUPHIUSA-N 2 2 382.552 3.193 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000252692330 1433864179 /nfs/dbraw/zinc/86/41/79/1433864179.db2.gz BERGFCZHMSMTTQ-WNOPAQSVSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000252692330 1433864180 /nfs/dbraw/zinc/86/41/80/1433864180.db2.gz BERGFCZHMSMTTQ-WNOPAQSVSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000252692330 1433864181 /nfs/dbraw/zinc/86/41/81/1433864181.db2.gz BERGFCZHMSMTTQ-WNOPAQSVSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000252692330 1433864182 /nfs/dbraw/zinc/86/41/82/1433864182.db2.gz BERGFCZHMSMTTQ-WNOPAQSVSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000252692329 1433864190 /nfs/dbraw/zinc/86/41/90/1433864190.db2.gz BERGFCZHMSMTTQ-NGYIFUPDSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000252692329 1433864192 /nfs/dbraw/zinc/86/41/92/1433864192.db2.gz BERGFCZHMSMTTQ-NGYIFUPDSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000252692329 1433864193 /nfs/dbraw/zinc/86/41/93/1433864193.db2.gz BERGFCZHMSMTTQ-NGYIFUPDSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000252692329 1433864194 /nfs/dbraw/zinc/86/41/94/1433864194.db2.gz BERGFCZHMSMTTQ-NGYIFUPDSA-N 2 2 397.563 3.211 20 0 GGADLP C[C@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000252734312 1433864422 /nfs/dbraw/zinc/86/44/22/1433864422.db2.gz GTDZLJHQWHOPHZ-JTSKRJEESA-N 2 2 389.503 3.495 20 0 GGADLP C[C@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000252734312 1433864423 /nfs/dbraw/zinc/86/44/23/1433864423.db2.gz GTDZLJHQWHOPHZ-JTSKRJEESA-N 2 2 389.503 3.495 20 0 GGADLP C[C@H](CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000261476155 1433896598 /nfs/dbraw/zinc/89/65/98/1433896598.db2.gz XNVSSLZEMPJODB-RDTXWAMCSA-N 2 2 396.938 3.398 20 0 GGADLP C[C@H](CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000261476155 1433896600 /nfs/dbraw/zinc/89/66/00/1433896600.db2.gz XNVSSLZEMPJODB-RDTXWAMCSA-N 2 2 396.938 3.398 20 0 GGADLP C[C@@H](CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000261476153 1433896681 /nfs/dbraw/zinc/89/66/81/1433896681.db2.gz XNVSSLZEMPJODB-KSSFIOAISA-N 2 2 396.938 3.398 20 0 GGADLP C[C@@H](CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000261476153 1433896682 /nfs/dbraw/zinc/89/66/82/1433896682.db2.gz XNVSSLZEMPJODB-KSSFIOAISA-N 2 2 396.938 3.398 20 0 GGADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000261647163 1433898206 /nfs/dbraw/zinc/89/82/06/1433898206.db2.gz BDVSJLLACUYJFI-NRFANRHFSA-N 2 2 375.476 3.052 20 0 GGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000261663019 1433898530 /nfs/dbraw/zinc/89/85/30/1433898530.db2.gz IJTAJQWTUAUTOW-RDPSFJRHSA-N 2 2 390.531 3.087 20 0 GGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000261663019 1433898533 /nfs/dbraw/zinc/89/85/33/1433898533.db2.gz IJTAJQWTUAUTOW-RDPSFJRHSA-N 2 2 390.531 3.087 20 0 GGADLP c1ccc(OC2CCCC2)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261747308 1433901498 /nfs/dbraw/zinc/90/14/98/1433901498.db2.gz NBYZEWKOUSLHEU-UHFFFAOYSA-N 2 2 381.524 3.082 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc4c(c3F)CC[NH2+]C4)cn2c1 ZINC000261819891 1433905315 /nfs/dbraw/zinc/90/53/15/1433905315.db2.gz XSCUPKIQRDKHET-UHFFFAOYSA-N 2 2 384.480 3.299 20 0 GGADLP Brc1cnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC000262014994 1433922462 /nfs/dbraw/zinc/92/24/62/1433922462.db2.gz MQONDMFIELKJBI-UHFFFAOYSA-N 2 2 389.135 3.182 20 0 GGADLP Brc1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1 ZINC000262014994 1433922463 /nfs/dbraw/zinc/92/24/63/1433922463.db2.gz MQONDMFIELKJBI-UHFFFAOYSA-N 2 2 389.135 3.182 20 0 GGADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)c1 ZINC000262233004 1433931895 /nfs/dbraw/zinc/93/18/95/1433931895.db2.gz GZQBEQZKCNGEOS-YCWUYWEHSA-N 2 2 385.552 3.054 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262395964 1433937674 /nfs/dbraw/zinc/93/76/74/1433937674.db2.gz OTOWGFDLFSZWFM-ZDIRXBFYSA-N 2 2 385.552 3.388 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262395964 1433937675 /nfs/dbraw/zinc/93/76/75/1433937675.db2.gz OTOWGFDLFSZWFM-ZDIRXBFYSA-N 2 2 385.552 3.388 20 0 GGADLP C[C@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000262544981 1433943085 /nfs/dbraw/zinc/94/30/85/1433943085.db2.gz UUSQATRJFMESGB-GJZGRUSLSA-N 2 2 375.513 3.182 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)n2)C1 ZINC000262573801 1433944192 /nfs/dbraw/zinc/94/41/92/1433944192.db2.gz ZPNOWQLNDHDJEP-OAHLLOKOSA-N 2 2 384.549 3.316 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)n2)C1 ZINC000262573801 1433944197 /nfs/dbraw/zinc/94/41/97/1433944197.db2.gz ZPNOWQLNDHDJEP-OAHLLOKOSA-N 2 2 384.549 3.316 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000262654120 1433948139 /nfs/dbraw/zinc/94/81/39/1433948139.db2.gz SRYUHMALWAQXML-FGSXEWAUSA-N 2 2 381.520 3.237 20 0 GGADLP [NH3+]Cc1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)co1 ZINC000262802238 1433957365 /nfs/dbraw/zinc/95/73/65/1433957365.db2.gz RLFBKFGBPFMANF-UHFFFAOYSA-N 2 2 375.472 3.286 20 0 GGADLP C[NH+](CC(=O)[O-])[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000263520253 1434010799 /nfs/dbraw/zinc/01/07/99/1434010799.db2.gz QNRPCJNYHPENSO-FQEVSTJZSA-N 2 2 375.557 3.016 20 0 GGADLP C[NH+](CC(=O)[O-])[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000263520253 1434010802 /nfs/dbraw/zinc/01/08/02/1434010802.db2.gz QNRPCJNYHPENSO-FQEVSTJZSA-N 2 2 375.557 3.016 20 0 GGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263520253 1434010807 /nfs/dbraw/zinc/01/08/07/1434010807.db2.gz QNRPCJNYHPENSO-FQEVSTJZSA-N 2 2 375.557 3.016 20 0 GGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263520253 1434010810 /nfs/dbraw/zinc/01/08/10/1434010810.db2.gz QNRPCJNYHPENSO-FQEVSTJZSA-N 2 2 375.557 3.016 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000263682947 1434020068 /nfs/dbraw/zinc/02/00/68/1434020068.db2.gz LIQZEINQTLEFES-UHFFFAOYSA-N 2 2 390.915 3.093 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000263682947 1434020071 /nfs/dbraw/zinc/02/00/71/1434020071.db2.gz LIQZEINQTLEFES-UHFFFAOYSA-N 2 2 390.915 3.093 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)[NH+]2CCCC2)o1 ZINC000263684195 1434020556 /nfs/dbraw/zinc/02/05/56/1434020556.db2.gz HIJVOZZHJXOYOX-HXUWFJFHSA-N 2 2 378.476 3.400 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1C)c1ccco1 ZINC000263685255 1434020720 /nfs/dbraw/zinc/02/07/20/1434020720.db2.gz FMUFRVPRIZEFGB-SFHVURJKSA-N 2 2 396.495 3.051 20 0 GGADLP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@@H](c4[nH]cc[nH+]4)C3)c(C)c2)CC1 ZINC000263922078 1434049166 /nfs/dbraw/zinc/04/91/66/1434049166.db2.gz CTSITGUCBNSFGU-GOSISDBHSA-N 2 2 396.539 3.272 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCC2)cc1 ZINC000263927821 1434049597 /nfs/dbraw/zinc/04/95/97/1434049597.db2.gz AVDHWSYXSXPMLS-PMACEKPBSA-N 2 2 381.524 3.444 20 0 GGADLP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263955244 1434053146 /nfs/dbraw/zinc/05/31/46/1434053146.db2.gz NFFDGLVLYXTUNY-IBGZPJMESA-N 2 2 399.539 3.220 20 0 GGADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263955193 1434053186 /nfs/dbraw/zinc/05/31/86/1434053186.db2.gz MZINFXBAJAJPNC-IBGZPJMESA-N 2 2 399.539 3.220 20 0 GGADLP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263955241 1434053231 /nfs/dbraw/zinc/05/32/31/1434053231.db2.gz NEWJHPRSDVVBNY-KDURUIRLSA-N 2 2 388.556 3.244 20 0 GGADLP CC(C)[N@H+]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263955241 1434053233 /nfs/dbraw/zinc/05/32/33/1434053233.db2.gz NEWJHPRSDVVBNY-KDURUIRLSA-N 2 2 388.556 3.244 20 0 GGADLP CC(C)[NH+]1CCCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263955241 1434053236 /nfs/dbraw/zinc/05/32/36/1434053236.db2.gz NEWJHPRSDVVBNY-KDURUIRLSA-N 2 2 388.556 3.244 20 0 GGADLP CC(C)[NH+]1CCCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263955241 1434053238 /nfs/dbraw/zinc/05/32/38/1434053238.db2.gz NEWJHPRSDVVBNY-KDURUIRLSA-N 2 2 388.556 3.244 20 0 GGADLP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263961550 1434053975 /nfs/dbraw/zinc/05/39/75/1434053975.db2.gz QWRLBNQOSCNIBM-QGZVFWFLSA-N 2 2 387.553 3.272 20 0 GGADLP CC(C)(CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000263967253 1434055043 /nfs/dbraw/zinc/05/50/43/1434055043.db2.gz UYEZVTGKZONTTP-LJQANCHMSA-N 2 2 381.524 3.136 20 0 GGADLP CC(C)(CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[N@H+]1CCc2ccccc2C1 ZINC000263967253 1434055045 /nfs/dbraw/zinc/05/50/45/1434055045.db2.gz UYEZVTGKZONTTP-LJQANCHMSA-N 2 2 381.524 3.136 20 0 GGADLP COc1cccc([C@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCC2)c1 ZINC000263967225 1434055119 /nfs/dbraw/zinc/05/51/19/1434055119.db2.gz UWKTUYSWWLLZRI-ICSRJNTNSA-N 2 2 397.523 3.144 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000264007783 1434061386 /nfs/dbraw/zinc/06/13/86/1434061386.db2.gz DVFFKVKPYIVWOP-SFHVURJKSA-N 2 2 385.474 3.207 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000264007783 1434061389 /nfs/dbraw/zinc/06/13/89/1434061389.db2.gz DVFFKVKPYIVWOP-SFHVURJKSA-N 2 2 385.474 3.207 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000264129012 1434074146 /nfs/dbraw/zinc/07/41/46/1434074146.db2.gz YAMCRGNUMOKSLS-ROUUACIJSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@H](c1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000264197560 1434080854 /nfs/dbraw/zinc/08/08/54/1434080854.db2.gz DGPRXXZQFCZKQA-APWZRJJASA-N 2 2 386.496 3.097 20 0 GGADLP CC(C)C[NH+]1CCC(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264263766 1434089557 /nfs/dbraw/zinc/08/95/57/1434089557.db2.gz SGPSHDXNSPGICJ-GOSISDBHSA-N 2 2 388.556 3.322 20 0 GGADLP CC(C)C[NH+]1CCC(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000264263770 1434089595 /nfs/dbraw/zinc/08/95/95/1434089595.db2.gz SGPSHDXNSPGICJ-SFHVURJKSA-N 2 2 388.556 3.322 20 0 GGADLP C[NH+](C)CCCOc1ccc(CNC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000264341572 1434099454 /nfs/dbraw/zinc/09/94/54/1434099454.db2.gz VOYMDMHBOIFVMB-UHFFFAOYSA-N 2 2 392.503 3.192 20 0 GGADLP C[C@H](c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000264626875 1434136486 /nfs/dbraw/zinc/13/64/86/1434136486.db2.gz JRJIEWSQEXSIDS-APWZRJJASA-N 2 2 386.496 3.097 20 0 GGADLP C[C@@H](c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000264626878 1434136511 /nfs/dbraw/zinc/13/65/11/1434136511.db2.gz JRJIEWSQEXSIDS-LPHOPBHVSA-N 2 2 386.496 3.097 20 0 GGADLP C[C@@H](c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000264626880 1434136664 /nfs/dbraw/zinc/13/66/64/1434136664.db2.gz JRJIEWSQEXSIDS-QFBILLFUSA-N 2 2 386.496 3.097 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)cn2c1 ZINC000265747281 1434262355 /nfs/dbraw/zinc/26/23/55/1434262355.db2.gz WGLKKDXVWXZLRW-IBGZPJMESA-N 2 2 386.565 3.353 20 0 GGADLP Cc1nc(-c2cccnc2)nc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000266404008 1434331510 /nfs/dbraw/zinc/33/15/10/1434331510.db2.gz PUJIQEJDJDHIJL-UHFFFAOYSA-N 2 2 380.540 3.126 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000266431071 1434335732 /nfs/dbraw/zinc/33/57/32/1434335732.db2.gz MZXYSKPFXSMBIL-UHFFFAOYSA-N 2 2 397.523 3.364 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(Oc2ccccn2)cc1 ZINC000266431071 1434335735 /nfs/dbraw/zinc/33/57/35/1434335735.db2.gz MZXYSKPFXSMBIL-UHFFFAOYSA-N 2 2 397.523 3.364 20 0 GGADLP C[C@H](c1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1)[NH+]1CCOCC1 ZINC000266434748 1434336301 /nfs/dbraw/zinc/33/63/01/1434336301.db2.gz NNCUGMIFBRRSHL-WIYYLYMNSA-N 2 2 388.556 3.418 20 0 GGADLP C[C@H](c1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1)[NH+]1CCOCC1 ZINC000266434748 1434336302 /nfs/dbraw/zinc/33/63/02/1434336302.db2.gz NNCUGMIFBRRSHL-WIYYLYMNSA-N 2 2 388.556 3.418 20 0 GGADLP O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccccc1C[NH+]1CCOCC1 ZINC000266831633 1434379800 /nfs/dbraw/zinc/37/98/00/1434379800.db2.gz MZBHQFVNFBBTIG-UHFFFAOYSA-N 2 2 393.531 3.045 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266851112 1434381875 /nfs/dbraw/zinc/38/18/75/1434381875.db2.gz IZAZPIGKPQLCHA-KRWDZBQOSA-N 2 2 398.532 3.033 20 0 GGADLP CSc1cccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC000266992305 1434396607 /nfs/dbraw/zinc/39/66/07/1434396607.db2.gz ABNVORKDOFPXSP-INIZCTEOSA-N 2 2 379.570 3.215 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000267301974 1434420970 /nfs/dbraw/zinc/42/09/70/1434420970.db2.gz AKLNZIBZHLPFFA-WIYYLYMNSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000267301974 1434420971 /nfs/dbraw/zinc/42/09/71/1434420971.db2.gz AKLNZIBZHLPFFA-WIYYLYMNSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000267301971 1434421049 /nfs/dbraw/zinc/42/10/49/1434421049.db2.gz AKLNZIBZHLPFFA-RXVVDRJESA-N 2 2 381.524 3.140 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000267301971 1434421051 /nfs/dbraw/zinc/42/10/51/1434421051.db2.gz AKLNZIBZHLPFFA-RXVVDRJESA-N 2 2 381.524 3.140 20 0 GGADLP CCC[NH+]1CCC(N(C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000267417513 1434430813 /nfs/dbraw/zinc/43/08/13/1434430813.db2.gz ZVFQVARHIZXCFZ-UHFFFAOYSA-N 2 2 385.512 3.300 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267439550 1434433250 /nfs/dbraw/zinc/43/32/50/1434433250.db2.gz RZJIDLVPWSXHQF-YZGWKJHDSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267439550 1434433251 /nfs/dbraw/zinc/43/32/51/1434433251.db2.gz RZJIDLVPWSXHQF-YZGWKJHDSA-N 2 2 381.524 3.209 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000267442284 1434433749 /nfs/dbraw/zinc/43/37/49/1434433749.db2.gz PHTOBGMZZVVVEE-SFHVURJKSA-N 2 2 389.503 3.386 20 0 GGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000267442284 1434433752 /nfs/dbraw/zinc/43/37/52/1434433752.db2.gz PHTOBGMZZVVVEE-SFHVURJKSA-N 2 2 389.503 3.386 20 0 GGADLP COc1ccc([C@@H](CNC(=O)c2sccc2C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000268103865 1434494890 /nfs/dbraw/zinc/49/48/90/1434494890.db2.gz LGUFVIVENQIDFQ-LJQANCHMSA-N 2 2 387.549 3.385 20 0 GGADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000268279743 1434508024 /nfs/dbraw/zinc/50/80/24/1434508024.db2.gz YACNRLIPRUYSJN-SFHVURJKSA-N 2 2 385.512 3.062 20 0 GGADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000268279743 1434508027 /nfs/dbraw/zinc/50/80/27/1434508027.db2.gz YACNRLIPRUYSJN-SFHVURJKSA-N 2 2 385.512 3.062 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+]C3(c4ccc(Cl)c(Cl)c4)CC3)cn2)CC1 ZINC000268544690 1434531905 /nfs/dbraw/zinc/53/19/05/1434531905.db2.gz LQZYYKZYMGRTDP-UHFFFAOYSA-N 2 2 392.334 3.314 20 0 GGADLP C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CC[C@@H]4CCCC[N@@H+]4C)CC3)cc2NC1=O ZINC000268578905 1434535859 /nfs/dbraw/zinc/53/58/59/1434535859.db2.gz SSPNVOZLRIIJPZ-LPHOPBHVSA-N 2 2 399.535 3.175 20 0 GGADLP C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CC[C@@H]4CCCC[N@H+]4C)CC3)cc2NC1=O ZINC000268578905 1434535863 /nfs/dbraw/zinc/53/58/63/1434535863.db2.gz SSPNVOZLRIIJPZ-LPHOPBHVSA-N 2 2 399.535 3.175 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268742028 1434552253 /nfs/dbraw/zinc/55/22/53/1434552253.db2.gz DGHKBSFRFUFISB-HNNXBMFYSA-N 2 2 387.480 3.325 20 0 GGADLP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3cccnc3-n3cccn3)CC2)cc1 ZINC000268754338 1434553248 /nfs/dbraw/zinc/55/32/48/1434553248.db2.gz IYGCTOYEJKVAJB-UHFFFAOYSA-N 2 2 379.483 3.203 20 0 GGADLP CN(C)C(=O)c1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000268766277 1434554731 /nfs/dbraw/zinc/55/47/31/1434554731.db2.gz QGESYUKQXXXBQN-UHFFFAOYSA-N 2 2 383.511 3.324 20 0 GGADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)n1 ZINC000268809660 1434559597 /nfs/dbraw/zinc/55/95/97/1434559597.db2.gz LSZDZZATPIRAHT-HNNXBMFYSA-N 2 2 399.470 3.485 20 0 GGADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)[nH+]c4ccc(F)cc43)CC2)n1 ZINC000268809660 1434559603 /nfs/dbraw/zinc/55/96/03/1434559603.db2.gz LSZDZZATPIRAHT-HNNXBMFYSA-N 2 2 399.470 3.485 20 0 GGADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000268813814 1434560535 /nfs/dbraw/zinc/56/05/35/1434560535.db2.gz FPFGWHLAEQQBJW-WMLDXEAASA-N 2 2 375.538 3.234 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000268865060 1434565895 /nfs/dbraw/zinc/56/58/95/1434565895.db2.gz ZVJCWLGGQALQPZ-MRXNPFEDSA-N 2 2 385.483 3.073 20 0 GGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000268879993 1434567277 /nfs/dbraw/zinc/56/72/77/1434567277.db2.gz HSWSNHKMGJMIQD-CRAIPNDOSA-N 2 2 386.565 3.033 20 0 GGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000268879993 1434567278 /nfs/dbraw/zinc/56/72/78/1434567278.db2.gz HSWSNHKMGJMIQD-CRAIPNDOSA-N 2 2 386.565 3.033 20 0 GGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000268893322 1434568454 /nfs/dbraw/zinc/56/84/54/1434568454.db2.gz DJQYWIVQRDDUSA-DYVFJYSZSA-N 2 2 389.487 3.449 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268899301 1434569090 /nfs/dbraw/zinc/56/90/90/1434569090.db2.gz KSJMVZGNESFJRB-SJLPKXTDSA-N 2 2 384.549 3.117 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268899301 1434569093 /nfs/dbraw/zinc/56/90/93/1434569093.db2.gz KSJMVZGNESFJRB-SJLPKXTDSA-N 2 2 384.549 3.117 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1)[NH+]1CCOCC1 ZINC000268964098 1434576052 /nfs/dbraw/zinc/57/60/52/1434576052.db2.gz YIRNBNYLGCRVCP-QFUCXCTJSA-N 2 2 386.540 3.028 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1)[NH+]1CCOCC1 ZINC000268964098 1434576053 /nfs/dbraw/zinc/57/60/53/1434576053.db2.gz YIRNBNYLGCRVCP-QFUCXCTJSA-N 2 2 386.540 3.028 20 0 GGADLP Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(-c2cccnc2)n1 ZINC000269106062 1434592924 /nfs/dbraw/zinc/59/29/24/1434592924.db2.gz AWBAJOOKBMLNRR-UHFFFAOYSA-N 2 2 391.523 3.020 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000269526582 1434656626 /nfs/dbraw/zinc/65/66/26/1434656626.db2.gz JBTSARYJXMMPMJ-KRWDZBQOSA-N 2 2 385.512 3.139 20 0 GGADLP CCSc1ccc(CC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000269740690 1434673334 /nfs/dbraw/zinc/67/33/34/1434673334.db2.gz JWPULPMZIALQLI-UHFFFAOYSA-N 2 2 375.582 3.016 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000269879588 1434683890 /nfs/dbraw/zinc/68/38/90/1434683890.db2.gz OPMATTGAGNNQPA-UHFFFAOYSA-N 2 2 385.474 3.280 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000269879588 1434683892 /nfs/dbraw/zinc/68/38/92/1434683892.db2.gz OPMATTGAGNNQPA-UHFFFAOYSA-N 2 2 385.474 3.280 20 0 GGADLP CC[C@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000269927044 1434687491 /nfs/dbraw/zinc/68/74/91/1434687491.db2.gz ZISYOSIIRSMGBA-GOSISDBHSA-N 2 2 375.557 3.063 20 0 GGADLP CC[C@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000269927044 1434687492 /nfs/dbraw/zinc/68/74/92/1434687492.db2.gz ZISYOSIIRSMGBA-GOSISDBHSA-N 2 2 375.557 3.063 20 0 GGADLP CC(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000270027184 1434694509 /nfs/dbraw/zinc/69/45/09/1434694509.db2.gz GFOFNBYQLYAPCW-YADHBBJMSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000270027184 1434694512 /nfs/dbraw/zinc/69/45/12/1434694512.db2.gz GFOFNBYQLYAPCW-YADHBBJMSA-N 2 2 385.552 3.298 20 0 GGADLP CN(C(=O)c1ccncc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270062787 1434698498 /nfs/dbraw/zinc/69/84/98/1434698498.db2.gz QWBYTYYKQNALRG-RBUKOAKNSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccncc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270062787 1434698501 /nfs/dbraw/zinc/69/85/01/1434698501.db2.gz QWBYTYYKQNALRG-RBUKOAKNSA-N 2 2 378.948 3.144 20 0 GGADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000270071037 1434699281 /nfs/dbraw/zinc/69/92/81/1434699281.db2.gz UHSUHBYXPRHPCU-VQTJNVASSA-N 2 2 391.531 3.244 20 0 GGADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000270071037 1434699283 /nfs/dbraw/zinc/69/92/83/1434699283.db2.gz UHSUHBYXPRHPCU-VQTJNVASSA-N 2 2 391.531 3.244 20 0 GGADLP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270173277 1434709244 /nfs/dbraw/zinc/70/92/44/1434709244.db2.gz BTLZZDQKEWRQNY-GOSISDBHSA-N 2 2 397.523 3.080 20 0 GGADLP C[NH+](C)[C@@]1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCSC1 ZINC000270220727 1434714440 /nfs/dbraw/zinc/71/44/40/1434714440.db2.gz HGKRPEYKNHRSOD-OAQYLSRUSA-N 2 2 397.548 3.161 20 0 GGADLP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270236237 1434715682 /nfs/dbraw/zinc/71/56/82/1434715682.db2.gz IZRUPNIIITXNQE-QGZVFWFLSA-N 2 2 379.508 3.455 20 0 GGADLP CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270236237 1434715687 /nfs/dbraw/zinc/71/56/87/1434715687.db2.gz IZRUPNIIITXNQE-QGZVFWFLSA-N 2 2 379.508 3.455 20 0 GGADLP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270236234 1434715760 /nfs/dbraw/zinc/71/57/60/1434715760.db2.gz IZRUPNIIITXNQE-KRWDZBQOSA-N 2 2 379.508 3.455 20 0 GGADLP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270236234 1434715763 /nfs/dbraw/zinc/71/57/63/1434715763.db2.gz IZRUPNIIITXNQE-KRWDZBQOSA-N 2 2 379.508 3.455 20 0 GGADLP C[NH+]1CCC(CCNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000270350037 1434725442 /nfs/dbraw/zinc/72/54/42/1434725442.db2.gz PMCHJVWNOBMKSZ-UHFFFAOYSA-N 2 2 379.508 3.455 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000270367387 1434727138 /nfs/dbraw/zinc/72/71/38/1434727138.db2.gz SNPJJOCIBHDVHK-SFHVURJKSA-N 2 2 375.476 3.080 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)c4c(c3)OCCO4)CC2)CC1 ZINC000270915668 1434787748 /nfs/dbraw/zinc/78/77/48/1434787748.db2.gz OLQSVHBXMUDORA-UHFFFAOYSA-N 2 2 393.959 3.102 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1Cl ZINC000270924992 1434788273 /nfs/dbraw/zinc/78/82/73/1434788273.db2.gz PKRIJFTXGLNSDD-UHFFFAOYSA-N 2 2 392.975 3.077 20 0 GGADLP Cc1ccn2ncc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271018113 1434795850 /nfs/dbraw/zinc/79/58/50/1434795850.db2.gz IOMUZNQVGUAMBR-NHCUHLMSSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1ccn2ncc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271018113 1434795853 /nfs/dbraw/zinc/79/58/53/1434795853.db2.gz IOMUZNQVGUAMBR-NHCUHLMSSA-N 2 2 397.567 3.052 20 0 GGADLP COc1ccc(OC(F)F)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000271211283 1434808347 /nfs/dbraw/zinc/80/83/47/1434808347.db2.gz LSSVUVSMNZIYIY-UHFFFAOYSA-N 2 2 397.510 3.287 20 0 GGADLP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)CC1 ZINC000271436951 1434824706 /nfs/dbraw/zinc/82/47/06/1434824706.db2.gz UNVUHHKDMSSENO-UHFFFAOYSA-N 2 2 383.939 3.348 20 0 GGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cc(=O)c(OC)co2)cc1 ZINC000271628719 1434840104 /nfs/dbraw/zinc/84/01/04/1434840104.db2.gz GIHGCSPNMQZXSO-UHFFFAOYSA-N 2 2 397.475 3.336 20 0 GGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cc(=O)c(OC)co2)cc1 ZINC000271628719 1434840106 /nfs/dbraw/zinc/84/01/06/1434840106.db2.gz GIHGCSPNMQZXSO-UHFFFAOYSA-N 2 2 397.475 3.336 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2ccc(C)cc2)CC1 ZINC000271719367 1434846101 /nfs/dbraw/zinc/84/61/01/1434846101.db2.gz CXSRHRYAECTHRR-REWPJTCUSA-N 2 2 388.552 3.470 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000271719360 1434846114 /nfs/dbraw/zinc/84/61/14/1434846114.db2.gz CXSRHRYAECTHRR-NFBKMPQASA-N 2 2 388.552 3.470 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000271793282 1434850972 /nfs/dbraw/zinc/85/09/72/1434850972.db2.gz JMZXWGJZJYAHFT-AZUAARDMSA-N 2 2 380.916 3.177 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000271806333 1434851931 /nfs/dbraw/zinc/85/19/31/1434851931.db2.gz MJAINHCIGROPLA-AZUAARDMSA-N 2 2 398.906 3.316 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000271860392 1434855478 /nfs/dbraw/zinc/85/54/78/1434855478.db2.gz YNJSOVGRJDFQDE-UHFFFAOYSA-N 2 2 388.430 3.135 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC000271864506 1434855807 /nfs/dbraw/zinc/85/58/07/1434855807.db2.gz ZZJMAIQZXIYLMU-UHFFFAOYSA-N 2 2 389.540 3.178 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000272009436 1434865717 /nfs/dbraw/zinc/86/57/17/1434865717.db2.gz BODNSCHFLLBWPU-FZKQIMNGSA-N 2 2 393.413 3.015 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000272009438 1434865750 /nfs/dbraw/zinc/86/57/50/1434865750.db2.gz BODNSCHFLLBWPU-SCLBCKFNSA-N 2 2 393.413 3.015 20 0 GGADLP COCCc1nc(C)c([C@@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000272172796 1434876032 /nfs/dbraw/zinc/87/60/32/1434876032.db2.gz DKJVHVDGOALXLO-RHSMWYFYSA-N 2 2 389.569 3.349 20 0 GGADLP COCCc1nc(C)c([C@@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000272172789 1434876095 /nfs/dbraw/zinc/87/60/95/1434876095.db2.gz DKJVHVDGOALXLO-PBHICJAKSA-N 2 2 389.569 3.349 20 0 GGADLP Cc1cc2ncc([C@H](C)Nc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)c(C)n2n1 ZINC000272299132 1434885420 /nfs/dbraw/zinc/88/54/20/1434885420.db2.gz QZIWZDCJKICDLW-INIZCTEOSA-N 2 2 393.539 3.445 20 0 GGADLP C[C@H](CC(=O)N1CCCCCC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272321413 1434887168 /nfs/dbraw/zinc/88/71/68/1434887168.db2.gz WCIVECGECVKYRL-GOSISDBHSA-N 2 2 387.572 3.205 20 0 GGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(N2CCOC2=O)cc1 ZINC000272341460 1434888608 /nfs/dbraw/zinc/88/86/08/1434888608.db2.gz ZSHWSYXMLKHLFL-UZLBHIALSA-N 2 2 395.507 3.352 20 0 GGADLP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272477450 1434898991 /nfs/dbraw/zinc/89/89/91/1434898991.db2.gz LTTHRECJJRIQOF-FPOVZHCZSA-N 2 2 386.561 3.351 20 0 GGADLP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477450 1434898993 /nfs/dbraw/zinc/89/89/93/1434898993.db2.gz LTTHRECJJRIQOF-FPOVZHCZSA-N 2 2 386.561 3.351 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272534839 1434905113 /nfs/dbraw/zinc/90/51/13/1434905113.db2.gz PEEROMKNPGRGKM-WKDRNLAYSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272534839 1434905116 /nfs/dbraw/zinc/90/51/16/1434905116.db2.gz PEEROMKNPGRGKM-WKDRNLAYSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272578100 1434909986 /nfs/dbraw/zinc/90/99/86/1434909986.db2.gz URPFVUVJZMBUIZ-IHPCNDPISA-N 2 2 381.524 3.209 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272578100 1434909994 /nfs/dbraw/zinc/90/99/94/1434909994.db2.gz URPFVUVJZMBUIZ-IHPCNDPISA-N 2 2 381.524 3.209 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272578101 1434910090 /nfs/dbraw/zinc/91/00/90/1434910090.db2.gz URPFVUVJZMBUIZ-SXLOBPIMSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272578101 1434910091 /nfs/dbraw/zinc/91/00/91/1434910091.db2.gz URPFVUVJZMBUIZ-SXLOBPIMSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000272741564 1434927297 /nfs/dbraw/zinc/92/72/97/1434927297.db2.gz CTPGZZBMQSIXKM-DQLDELGASA-N 2 2 379.508 3.061 20 0 GGADLP C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000272741564 1434927300 /nfs/dbraw/zinc/92/73/00/1434927300.db2.gz CTPGZZBMQSIXKM-DQLDELGASA-N 2 2 379.508 3.061 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000272744589 1434927647 /nfs/dbraw/zinc/92/76/47/1434927647.db2.gz LUKAIKNSMVANLG-JWNTYJGQSA-N 2 2 381.520 3.179 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000272744589 1434927649 /nfs/dbraw/zinc/92/76/49/1434927649.db2.gz LUKAIKNSMVANLG-JWNTYJGQSA-N 2 2 381.520 3.179 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272819187 1434933615 /nfs/dbraw/zinc/93/36/15/1434933615.db2.gz OLVRYEVJKHJRIW-WIYYLYMNSA-N 2 2 386.561 3.231 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272819187 1434933616 /nfs/dbraw/zinc/93/36/16/1434933616.db2.gz OLVRYEVJKHJRIW-WIYYLYMNSA-N 2 2 386.561 3.231 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272819176 1434933687 /nfs/dbraw/zinc/93/36/87/1434933687.db2.gz OLVRYEVJKHJRIW-GHTZIAJQSA-N 2 2 386.561 3.231 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272819176 1434933690 /nfs/dbraw/zinc/93/36/90/1434933690.db2.gz OLVRYEVJKHJRIW-GHTZIAJQSA-N 2 2 386.561 3.231 20 0 GGADLP C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1=CC[NH+](C)CC1 ZINC000273007533 1434949278 /nfs/dbraw/zinc/94/92/78/1434949278.db2.gz UOPAUOYSDSFNKZ-HUUCEWRRSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1=CC[NH+](C)CC1 ZINC000273007533 1434949281 /nfs/dbraw/zinc/94/92/81/1434949281.db2.gz UOPAUOYSDSFNKZ-HUUCEWRRSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)C1=CC[N@H+](C)CC1 ZINC000273007533 1434949283 /nfs/dbraw/zinc/94/92/83/1434949283.db2.gz UOPAUOYSDSFNKZ-HUUCEWRRSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)C1=CC[N@@H+](C)CC1 ZINC000273007533 1434949286 /nfs/dbraw/zinc/94/92/86/1434949286.db2.gz UOPAUOYSDSFNKZ-HUUCEWRRSA-N 2 2 377.558 3.147 20 0 GGADLP Cc1ccncc1/C=C/C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000273045701 1434954558 /nfs/dbraw/zinc/95/45/58/1434954558.db2.gz PXLHJTLZCMGBHT-UPYVZJKUSA-N 2 2 384.568 3.199 20 0 GGADLP Cc1ccncc1/C=C/C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000273045701 1434954560 /nfs/dbraw/zinc/95/45/60/1434954560.db2.gz PXLHJTLZCMGBHT-UPYVZJKUSA-N 2 2 384.568 3.199 20 0 GGADLP Cc1cccc([C@@H]2CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)c1 ZINC000273218226 1434973135 /nfs/dbraw/zinc/97/31/35/1434973135.db2.gz UTJLJYKNPZATNE-HXUWFJFHSA-N 2 2 384.568 3.053 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273376454 1434984327 /nfs/dbraw/zinc/98/43/27/1434984327.db2.gz BJTDTXOAGITUKL-SBHAEUEKSA-N 2 2 386.561 3.349 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273376454 1434984328 /nfs/dbraw/zinc/98/43/28/1434984328.db2.gz BJTDTXOAGITUKL-SBHAEUEKSA-N 2 2 386.561 3.349 20 0 GGADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000273380688 1434984758 /nfs/dbraw/zinc/98/47/58/1434984758.db2.gz IAYWGWONAGWUOD-QGZVFWFLSA-N 2 2 385.512 3.156 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3c3ccccc3)CC2)CC1 ZINC000273987652 1435034774 /nfs/dbraw/zinc/03/47/74/1435034774.db2.gz JIRJBMVXFXSHSV-QFIPXVFZSA-N 2 2 384.568 3.482 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000274838610 1435097020 /nfs/dbraw/zinc/09/70/20/1435097020.db2.gz NZUALEOAHORQDJ-FXAWDEMLSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000274838610 1435097023 /nfs/dbraw/zinc/09/70/23/1435097023.db2.gz NZUALEOAHORQDJ-FXAWDEMLSA-N 2 2 397.519 3.143 20 0 GGADLP C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274917754 1435103390 /nfs/dbraw/zinc/10/33/90/1435103390.db2.gz OQMQHMWDBQHQBK-DENIHFKCSA-N 2 2 386.561 3.102 20 0 GGADLP C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274917754 1435103391 /nfs/dbraw/zinc/10/33/91/1435103391.db2.gz OQMQHMWDBQHQBK-DENIHFKCSA-N 2 2 386.561 3.102 20 0 GGADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C1)CCCC2 ZINC000275289022 1435128987 /nfs/dbraw/zinc/12/89/87/1435128987.db2.gz LOHVLVQPLHHZQU-HXUWFJFHSA-N 2 2 389.503 3.402 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cnn1C(C)(C)C ZINC000276310307 1435204073 /nfs/dbraw/zinc/20/40/73/1435204073.db2.gz FEBTYKNPBZBMJQ-WEYGHZABSA-N 2 2 384.568 3.480 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cnn1C(C)(C)C ZINC000276310307 1435204075 /nfs/dbraw/zinc/20/40/75/1435204075.db2.gz FEBTYKNPBZBMJQ-WEYGHZABSA-N 2 2 384.568 3.480 20 0 GGADLP CC[N@H+](CCCCCS(=O)(=O)CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000276525380 1435215774 /nfs/dbraw/zinc/21/57/74/1435215774.db2.gz WYHGIRDWPIGLQL-UHFFFAOYSA-N 2 2 381.586 3.225 20 0 GGADLP CC[N@@H+](CCCCCS(=O)(=O)CC)CC1CCN(c2cccc[nH+]2)CC1 ZINC000276525380 1435215775 /nfs/dbraw/zinc/21/57/75/1435215775.db2.gz WYHGIRDWPIGLQL-UHFFFAOYSA-N 2 2 381.586 3.225 20 0 GGADLP C[C@@H](c1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1)[NH+]1CCOCC1 ZINC000276593048 1435219240 /nfs/dbraw/zinc/21/92/40/1435219240.db2.gz JNMAISPOZFQGNW-KRWDZBQOSA-N 2 2 379.504 3.020 20 0 GGADLP COc1ccccc1-c1noc([C@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000276729587 1435228527 /nfs/dbraw/zinc/22/85/27/1435228527.db2.gz HDQUIIBXYOCGQJ-HNNXBMFYSA-N 2 2 379.464 3.460 20 0 GGADLP C[C@@H](c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276867329 1435238705 /nfs/dbraw/zinc/23/87/05/1435238705.db2.gz DJAXLRLACWCPOL-BBWFWOEESA-N 2 2 397.523 3.058 20 0 GGADLP C[C@@H](c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276867329 1435238706 /nfs/dbraw/zinc/23/87/06/1435238706.db2.gz DJAXLRLACWCPOL-BBWFWOEESA-N 2 2 397.523 3.058 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277077864 1435259759 /nfs/dbraw/zinc/25/97/59/1435259759.db2.gz FBXDNSUVBDKYSC-KRWDZBQOSA-N 2 2 387.480 3.278 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277077864 1435259763 /nfs/dbraw/zinc/25/97/63/1435259763.db2.gz FBXDNSUVBDKYSC-KRWDZBQOSA-N 2 2 387.480 3.278 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000277114250 1435263495 /nfs/dbraw/zinc/26/34/95/1435263495.db2.gz YAMXQJIDMVQKOE-FQEVSTJZSA-N 2 2 385.556 3.040 20 0 GGADLP CN(C(=O)[C@H]1CC(=O)c2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000277141321 1435267791 /nfs/dbraw/zinc/26/77/91/1435267791.db2.gz JUWHWJMOMRVVFU-BDTNDASRSA-N 2 2 397.563 3.152 20 0 GGADLP CN(C(=O)[C@H]1CC(=O)c2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000277141321 1435267792 /nfs/dbraw/zinc/26/77/92/1435267792.db2.gz JUWHWJMOMRVVFU-BDTNDASRSA-N 2 2 397.563 3.152 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@H]([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000277143201 1435268078 /nfs/dbraw/zinc/26/80/78/1435268078.db2.gz PNQRCBHOOVEBAF-GGPKGHCWSA-N 2 2 388.556 3.244 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000277392230 1435301321 /nfs/dbraw/zinc/30/13/21/1435301321.db2.gz YWQUUWNZEIPBDB-UHFFFAOYSA-N 2 2 393.553 3.030 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000277392230 1435301324 /nfs/dbraw/zinc/30/13/24/1435301324.db2.gz YWQUUWNZEIPBDB-UHFFFAOYSA-N 2 2 393.553 3.030 20 0 GGADLP CCOCC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000277744544 1435326364 /nfs/dbraw/zinc/32/63/64/1435326364.db2.gz PDORBTPWNOLPRL-LJQANCHMSA-N 2 2 388.474 3.389 20 0 GGADLP CCOCC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000277744544 1435326365 /nfs/dbraw/zinc/32/63/65/1435326365.db2.gz PDORBTPWNOLPRL-LJQANCHMSA-N 2 2 388.474 3.389 20 0 GGADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000277929882 1435343375 /nfs/dbraw/zinc/34/33/75/1435343375.db2.gz FUJMBCDTHXTWBC-QGZVFWFLSA-N 2 2 388.537 3.307 20 0 GGADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278013051 1435350245 /nfs/dbraw/zinc/35/02/45/1435350245.db2.gz WAMCUSYNKIUCGA-IBGZPJMESA-N 2 2 399.535 3.260 20 0 GGADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278013051 1435350249 /nfs/dbraw/zinc/35/02/49/1435350249.db2.gz WAMCUSYNKIUCGA-IBGZPJMESA-N 2 2 399.535 3.260 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c(OC)c1 ZINC000278435047 1435390509 /nfs/dbraw/zinc/39/05/09/1435390509.db2.gz JWGNYWJQEOQMTA-DOTOQJQBSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c(OC)c1 ZINC000278435047 1435390513 /nfs/dbraw/zinc/39/05/13/1435390513.db2.gz JWGNYWJQEOQMTA-DOTOQJQBSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c(OC)c1 ZINC000278435049 1435390587 /nfs/dbraw/zinc/39/05/87/1435390587.db2.gz JWGNYWJQEOQMTA-NVXWUHKLSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c(OC)c1 ZINC000278435049 1435390589 /nfs/dbraw/zinc/39/05/89/1435390589.db2.gz JWGNYWJQEOQMTA-NVXWUHKLSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c(OC)c1 ZINC000278435054 1435390837 /nfs/dbraw/zinc/39/08/37/1435390837.db2.gz JWGNYWJQEOQMTA-RDJZCZTQSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c(OC)c1 ZINC000278435054 1435390839 /nfs/dbraw/zinc/39/08/39/1435390839.db2.gz JWGNYWJQEOQMTA-RDJZCZTQSA-N 2 2 375.513 3.027 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278541088 1435398485 /nfs/dbraw/zinc/39/84/85/1435398485.db2.gz GJBOQJITDUJJML-XUZZJYLKSA-N 2 2 394.563 3.051 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278541088 1435398488 /nfs/dbraw/zinc/39/84/88/1435398488.db2.gz GJBOQJITDUJJML-XUZZJYLKSA-N 2 2 394.563 3.051 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278541082 1435398501 /nfs/dbraw/zinc/39/85/01/1435398501.db2.gz GJBOQJITDUJJML-QPPBQGQZSA-N 2 2 394.563 3.051 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278541082 1435398504 /nfs/dbraw/zinc/39/85/04/1435398504.db2.gz GJBOQJITDUJJML-QPPBQGQZSA-N 2 2 394.563 3.051 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000278571635 1435401325 /nfs/dbraw/zinc/40/13/25/1435401325.db2.gz JFXYXRSSMWCIGM-QGZVFWFLSA-N 2 2 381.476 3.154 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000278595788 1435403398 /nfs/dbraw/zinc/40/33/98/1435403398.db2.gz LMDVWGBQSFSFFU-INIZCTEOSA-N 2 2 385.533 3.268 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000278609578 1435405140 /nfs/dbraw/zinc/40/51/40/1435405140.db2.gz MMBZAXKXEDQIRX-FXAWDEMLSA-N 2 2 395.503 3.262 20 0 GGADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000278646666 1435409840 /nfs/dbraw/zinc/40/98/40/1435409840.db2.gz PLBWGUOSOKRIBZ-HXUWFJFHSA-N 2 2 377.492 3.364 20 0 GGADLP COC(=O)c1coc([C@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000278652263 1435410381 /nfs/dbraw/zinc/41/03/81/1435410381.db2.gz IDRGKAJBFZKPIS-GJZGRUSLSA-N 2 2 389.471 3.369 20 0 GGADLP COC(=O)c1coc([C@@H](C)[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000278652284 1435410445 /nfs/dbraw/zinc/41/04/45/1435410445.db2.gz IDRGKAJBFZKPIS-LSDHHAIUSA-N 2 2 389.471 3.369 20 0 GGADLP O=C(NC1CC1)[C@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278739276 1435418871 /nfs/dbraw/zinc/41/88/71/1435418871.db2.gz ABSGEDYJZSASOM-NRFANRHFSA-N 2 2 378.520 3.419 20 0 GGADLP CN(c1ccccc1C[NH2+]Cc1ncnn1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000278771175 1435422053 /nfs/dbraw/zinc/42/20/53/1435422053.db2.gz OTDFSRAVYOKQHA-UHFFFAOYSA-N 2 2 390.535 3.088 20 0 GGADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278880131 1435434843 /nfs/dbraw/zinc/43/48/43/1435434843.db2.gz NCRUTQWBIYGZAD-INIZCTEOSA-N 2 2 395.507 3.136 20 0 GGADLP CCOc1cccc(CNC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278885332 1435435581 /nfs/dbraw/zinc/43/55/81/1435435581.db2.gz NOAZGFBJMLIOKN-UHFFFAOYSA-N 2 2 396.535 3.114 20 0 GGADLP C[NH+](C)Cc1cccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000279245548 1435476470 /nfs/dbraw/zinc/47/64/70/1435476470.db2.gz OOIWQBUHBJIZPA-UHFFFAOYSA-N 2 2 395.551 3.370 20 0 GGADLP O=C(CCc1[nH]cc[nH+]1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279486063 1435504784 /nfs/dbraw/zinc/50/47/84/1435504784.db2.gz RDLJXJUNEHBVQE-KRWDZBQOSA-N 2 2 394.441 3.255 20 0 GGADLP O=C(CCc1[nH]cc[nH+]1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279486063 1435504790 /nfs/dbraw/zinc/50/47/90/1435504790.db2.gz RDLJXJUNEHBVQE-KRWDZBQOSA-N 2 2 394.441 3.255 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000279783866 1435542490 /nfs/dbraw/zinc/54/24/90/1435542490.db2.gz CFKNRURHRTXBHT-NRFANRHFSA-N 2 2 388.531 3.061 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000280309234 1435631489 /nfs/dbraw/zinc/63/14/89/1435631489.db2.gz YIYIVTIWDPVCFW-UHFFFAOYSA-N 2 2 378.467 3.202 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000281100717 1435773988 /nfs/dbraw/zinc/77/39/88/1435773988.db2.gz GRBNNQAOHREMQL-UHFFFAOYSA-N 2 2 378.467 3.203 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281344412 1435804755 /nfs/dbraw/zinc/80/47/55/1435804755.db2.gz WJSUHPYQAYXIGG-UKRRQHHQSA-N 2 2 390.478 3.392 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000281344412 1435804757 /nfs/dbraw/zinc/80/47/57/1435804757.db2.gz WJSUHPYQAYXIGG-UKRRQHHQSA-N 2 2 390.478 3.392 20 0 GGADLP Fc1cncc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000281415072 1435808058 /nfs/dbraw/zinc/80/80/58/1435808058.db2.gz ZPASPYBYCVSXJO-JOCHJYFZSA-N 2 2 385.483 3.173 20 0 GGADLP Cc1nc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2)cs1 ZINC000282477274 1435848646 /nfs/dbraw/zinc/84/86/46/1435848646.db2.gz SFHHPPPRYNNANQ-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1nc(-c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2)cs1 ZINC000282477274 1435848647 /nfs/dbraw/zinc/84/86/47/1435848647.db2.gz SFHHPPPRYNNANQ-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000282622077 1435854062 /nfs/dbraw/zinc/85/40/62/1435854062.db2.gz ZZBHOZAVJLDFQX-SJORKVTESA-N 2 2 383.458 3.040 20 0 GGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(CC(F)(F)F)C1=O ZINC000282622077 1435854063 /nfs/dbraw/zinc/85/40/63/1435854063.db2.gz ZZBHOZAVJLDFQX-SJORKVTESA-N 2 2 383.458 3.040 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)CC1 ZINC000283093329 1435874082 /nfs/dbraw/zinc/87/40/82/1435874082.db2.gz LJCKXWNSAIURGL-MRXNPFEDSA-N 2 2 388.535 3.165 20 0 GGADLP COc1ncc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000284176989 1436001749 /nfs/dbraw/zinc/00/17/49/1436001749.db2.gz FQIYMWJRWWKYAZ-OAHLLOKOSA-N 2 2 375.900 3.427 20 0 GGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)cc2)CC1 ZINC000284252415 1436007509 /nfs/dbraw/zinc/00/75/09/1436007509.db2.gz FTPOKSMFSSJGII-UHFFFAOYSA-N 2 2 381.568 3.201 20 0 GGADLP Fc1ccc(OC2CC[NH+](C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cn1 ZINC000284280374 1436009657 /nfs/dbraw/zinc/00/96/57/1436009657.db2.gz XXYILPDKYZUJKA-JOCHJYFZSA-N 2 2 399.510 3.355 20 0 GGADLP Fc1ccc(OC2CC[NH+](C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cn1 ZINC000284280374 1436009661 /nfs/dbraw/zinc/00/96/61/1436009661.db2.gz XXYILPDKYZUJKA-JOCHJYFZSA-N 2 2 399.510 3.355 20 0 GGADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCCCC45CC[NH2+]CC5)c3C2)cc1 ZINC001164422201 718910307 /nfs/dbraw/zinc/91/03/07/718910307.db2.gz WVKOCZUUEDFQNO-UHFFFAOYSA-N 2 2 377.536 3.147 20 0 GGADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCCCC45CC[NH2+]CC5)c3C2)cc1 ZINC001164422201 718910310 /nfs/dbraw/zinc/91/03/10/718910310.db2.gz WVKOCZUUEDFQNO-UHFFFAOYSA-N 2 2 377.536 3.147 20 0 GGADLP CC[N@@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164676399 719566899 /nfs/dbraw/zinc/56/68/99/719566899.db2.gz FEICQJOHGANNJV-FQEVSTJZSA-N 2 2 392.507 3.424 20 0 GGADLP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164676399 719566905 /nfs/dbraw/zinc/56/69/05/719566905.db2.gz FEICQJOHGANNJV-FQEVSTJZSA-N 2 2 392.507 3.424 20 0 GGADLP CCN(C)c1cc[nH+]c(N2CCC3(CCC[N@@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693980 719803428 /nfs/dbraw/zinc/80/34/28/719803428.db2.gz WINFISSPFAHPKG-UHFFFAOYSA-N 2 2 386.569 3.333 20 0 GGADLP CCN(C)c1cc[nH+]c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)n1 ZINC001164693980 719803430 /nfs/dbraw/zinc/80/34/30/719803430.db2.gz WINFISSPFAHPKG-UHFFFAOYSA-N 2 2 386.569 3.333 20 0 GGADLP Cc1cc2c(nc[nH+]c2N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)[nH]1 ZINC001164696143 719889670 /nfs/dbraw/zinc/88/96/70/719889670.db2.gz ZHKPYHNKUYHBGM-UHFFFAOYSA-N 2 2 383.521 3.199 20 0 GGADLP Cc1cc2c(nc[nH+]c2N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH]1 ZINC001164696143 719889671 /nfs/dbraw/zinc/88/96/71/719889671.db2.gz ZHKPYHNKUYHBGM-UHFFFAOYSA-N 2 2 383.521 3.199 20 0 GGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc(F)c1C)CC2 ZINC001164717470 720123258 /nfs/dbraw/zinc/12/32/58/720123258.db2.gz PGBYOGWGMIOEQZ-IBGZPJMESA-N 2 2 384.499 3.432 20 0 GGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc(F)c1C)CC2 ZINC001164717470 720123263 /nfs/dbraw/zinc/12/32/63/720123263.db2.gz PGBYOGWGMIOEQZ-IBGZPJMESA-N 2 2 384.499 3.432 20 0 GGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cc(C)cc1OC)CC2 ZINC001164712257 720132538 /nfs/dbraw/zinc/13/25/38/720132538.db2.gz LYKUGYPSGLWYFO-HXUWFJFHSA-N 2 2 396.535 3.301 20 0 GGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cc(C)cc1OC)CC2 ZINC001164712257 720132549 /nfs/dbraw/zinc/13/25/49/720132549.db2.gz LYKUGYPSGLWYFO-HXUWFJFHSA-N 2 2 396.535 3.301 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001164831649 720354790 /nfs/dbraw/zinc/35/47/90/720354790.db2.gz ZKZJBRDQFYYCRT-VQTJNVASSA-N 2 2 384.568 3.291 20 0 GGADLP CCCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001164834630 720570395 /nfs/dbraw/zinc/57/03/95/720570395.db2.gz FHVFVVQLYMCIIY-SESVDKBCSA-N 2 2 382.556 3.312 20 0 GGADLP CCCc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001164834630 720570416 /nfs/dbraw/zinc/57/04/16/720570416.db2.gz FHVFVVQLYMCIIY-SESVDKBCSA-N 2 2 382.556 3.312 20 0 GGADLP CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1 ZINC001164739778 720832203 /nfs/dbraw/zinc/83/22/03/720832203.db2.gz IKMNHPAAIFXAPP-PCCBWWKXSA-N 2 2 380.540 3.176 20 0 GGADLP CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1 ZINC001164739778 720832205 /nfs/dbraw/zinc/83/22/05/720832205.db2.gz IKMNHPAAIFXAPP-PCCBWWKXSA-N 2 2 380.540 3.176 20 0 GGADLP Cc1c[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc1NCC1CC1 ZINC001164858558 720917557 /nfs/dbraw/zinc/91/75/57/720917557.db2.gz ODAHAEGOOKKZHC-MRXNPFEDSA-N 2 2 383.544 3.225 20 0 GGADLP Cc1c[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1NCC1CC1 ZINC001164858558 720917566 /nfs/dbraw/zinc/91/75/66/720917566.db2.gz ODAHAEGOOKKZHC-MRXNPFEDSA-N 2 2 383.544 3.225 20 0 GGADLP CCOC(=O)c1c(C)cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c1C ZINC001164863563 720972126 /nfs/dbraw/zinc/97/21/26/720972126.db2.gz WGPCQULYBGWRBB-QGZVFWFLSA-N 2 2 399.539 3.493 20 0 GGADLP CCOC(=O)c1c(C)cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]c1C ZINC001164863563 720972131 /nfs/dbraw/zinc/97/21/31/720972131.db2.gz WGPCQULYBGWRBB-QGZVFWFLSA-N 2 2 399.539 3.493 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCCC3)cc[nH+]1)[C@H]2C ZINC001164858140 720978028 /nfs/dbraw/zinc/97/80/28/720978028.db2.gz HWBCSXCGKPQIHE-KRWDZBQOSA-N 2 2 383.544 3.085 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCCC3)cc[nH+]1)[C@H]2C ZINC001164858140 720978039 /nfs/dbraw/zinc/97/80/39/720978039.db2.gz HWBCSXCGKPQIHE-KRWDZBQOSA-N 2 2 383.544 3.085 20 0 GGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858886 720988097 /nfs/dbraw/zinc/98/80/97/720988097.db2.gz IWALLCMMWVHDND-QWPQOLDESA-N 2 2 397.523 3.194 20 0 GGADLP COC(=O)/C=C\c1cc(C)c[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858886 720988108 /nfs/dbraw/zinc/98/81/08/720988108.db2.gz IWALLCMMWVHDND-QWPQOLDESA-N 2 2 397.523 3.194 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc[nH+]c(N3CCCCC3)n1)[C@@H]2C ZINC001164859675 720998061 /nfs/dbraw/zinc/99/80/61/720998061.db2.gz LBAWZIYKWGOAMT-QGZVFWFLSA-N 2 2 383.544 3.085 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc[nH+]c(N3CCCCC3)n1)[C@@H]2C ZINC001164859675 720998069 /nfs/dbraw/zinc/99/80/69/720998069.db2.gz LBAWZIYKWGOAMT-QGZVFWFLSA-N 2 2 383.544 3.085 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc[nH+]c(N3CCCCC3)n1)[C@H]2C ZINC001164859674 721000197 /nfs/dbraw/zinc/00/01/97/721000197.db2.gz LBAWZIYKWGOAMT-KRWDZBQOSA-N 2 2 383.544 3.085 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc[nH+]c(N3CCCCC3)n1)[C@H]2C ZINC001164859674 721000205 /nfs/dbraw/zinc/00/02/05/721000205.db2.gz LBAWZIYKWGOAMT-KRWDZBQOSA-N 2 2 383.544 3.085 20 0 GGADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@H](c5ccccc5)CO4)C3)[nH+]2)CC1 ZINC001164764980 721060038 /nfs/dbraw/zinc/06/00/38/721060038.db2.gz BYWULGBPBRCHLF-XUZZJYLKSA-N 2 2 392.547 3.377 20 0 GGADLP COc1ccc2c(C)cc(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c2c1 ZINC001164772717 721160164 /nfs/dbraw/zinc/16/01/64/721160164.db2.gz VRKYGYIBYZEAHS-RTBURBONSA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2c(C)cc(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c2c1 ZINC001164772717 721160169 /nfs/dbraw/zinc/16/01/69/721160169.db2.gz VRKYGYIBYZEAHS-RTBURBONSA-N 2 2 391.519 3.244 20 0 GGADLP COc1cc2c[nH+]c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)cc2cc1OC ZINC001164791067 721429427 /nfs/dbraw/zinc/42/94/27/721429427.db2.gz ZJYYNTAQXHEUSE-IRXDYDNUSA-N 2 2 396.516 3.277 20 0 GGADLP CCCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(C)[nH+]1 ZINC001164810455 721566233 /nfs/dbraw/zinc/56/62/33/721566233.db2.gz YJHVNJCNRRJSAQ-URVUXULASA-N 2 2 381.524 3.001 20 0 GGADLP CCCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)nc(C)[nH+]1 ZINC001164810455 721566239 /nfs/dbraw/zinc/56/62/39/721566239.db2.gz YJHVNJCNRRJSAQ-URVUXULASA-N 2 2 381.524 3.001 20 0 GGADLP Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2c([nH+]1)CCC2 ZINC001164908341 721719193 /nfs/dbraw/zinc/71/91/93/721719193.db2.gz WZPKRBDJHKZYKE-OAQYLSRUSA-N 2 2 399.489 3.406 20 0 GGADLP Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2c([nH+]1)CCC2 ZINC001164908341 721719196 /nfs/dbraw/zinc/71/91/96/721719196.db2.gz WZPKRBDJHKZYKE-OAQYLSRUSA-N 2 2 399.489 3.406 20 0 GGADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC1CC1 ZINC001165018627 721798290 /nfs/dbraw/zinc/79/82/90/721798290.db2.gz BQYVVZNDSTWSLU-IOMROCGXSA-N 2 2 392.551 3.491 20 0 GGADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC1CC1 ZINC001165018627 721798293 /nfs/dbraw/zinc/79/82/93/721798293.db2.gz BQYVVZNDSTWSLU-IOMROCGXSA-N 2 2 392.551 3.491 20 0 GGADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001165024928 721820327 /nfs/dbraw/zinc/82/03/27/721820327.db2.gz LIONJSZYOLRDGD-WEYGHZABSA-N 2 2 377.536 3.406 20 0 GGADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001165024928 721820329 /nfs/dbraw/zinc/82/03/29/721820329.db2.gz LIONJSZYOLRDGD-WEYGHZABSA-N 2 2 377.536 3.406 20 0 GGADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001165024927 721820432 /nfs/dbraw/zinc/82/04/32/721820432.db2.gz LIONJSZYOLRDGD-UCNVEGJOSA-N 2 2 377.536 3.406 20 0 GGADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c2c([nH+]1)CCC2 ZINC001165024927 721820435 /nfs/dbraw/zinc/82/04/35/721820435.db2.gz LIONJSZYOLRDGD-UCNVEGJOSA-N 2 2 377.536 3.406 20 0 GGADLP CCN(C)c1cc[nH+]c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1 ZINC001165016957 721837614 /nfs/dbraw/zinc/83/76/14/721837614.db2.gz GQMFYDYABPVHIT-UHFFFAOYSA-N 2 2 399.539 3.051 20 0 GGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(NC5CC5)cc[nH+]4)CC3)C2)cc1 ZINC001164937915 721920515 /nfs/dbraw/zinc/92/05/15/721920515.db2.gz HKKICPSUZZJODG-UHFFFAOYSA-N 2 2 393.535 3.231 20 0 GGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(NC5CC5)cc[nH+]4)CC3)C2)cc1 ZINC001164937915 721920516 /nfs/dbraw/zinc/92/05/16/721920516.db2.gz HKKICPSUZZJODG-UHFFFAOYSA-N 2 2 393.535 3.231 20 0 GGADLP Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001164984086 722102470 /nfs/dbraw/zinc/10/24/70/722102470.db2.gz RRNODTOCSLTWIV-FPOVZHCZSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001164984086 722102471 /nfs/dbraw/zinc/10/24/71/722102471.db2.gz RRNODTOCSLTWIV-FPOVZHCZSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001164983379 722139423 /nfs/dbraw/zinc/13/94/23/722139423.db2.gz UUGFCRLFLPGLAI-PMACEKPBSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001164983379 722139426 /nfs/dbraw/zinc/13/94/26/722139426.db2.gz UUGFCRLFLPGLAI-PMACEKPBSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001164983385 722139913 /nfs/dbraw/zinc/13/99/13/722139913.db2.gz UUGFCRLFLPGLAI-WOJBJXKFSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001164983385 722139916 /nfs/dbraw/zinc/13/99/16/722139916.db2.gz UUGFCRLFLPGLAI-WOJBJXKFSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000737248491 945018925 /nfs/dbraw/zinc/01/89/25/945018925.db2.gz GSRILPGERJJHGI-UHFFFAOYSA-N 2 2 399.502 3.354 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000824893102 946975853 /nfs/dbraw/zinc/97/58/53/946975853.db2.gz PHCNFKFPXZDLNE-KXBFYZLASA-N 2 2 380.471 3.149 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000824893102 946975858 /nfs/dbraw/zinc/97/58/58/946975858.db2.gz PHCNFKFPXZDLNE-KXBFYZLASA-N 2 2 380.471 3.149 20 0 GGADLP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825013342 947045529 /nfs/dbraw/zinc/04/55/29/947045529.db2.gz PSLXQTXCMGSLEE-OPAMFIHVSA-N 2 2 388.519 3.354 20 0 GGADLP CCC1(CC)[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C[C@H]1OC ZINC000825170803 947106844 /nfs/dbraw/zinc/10/68/44/947106844.db2.gz HVHWDJMYPYOAIU-WOJBJXKFSA-N 2 2 398.555 3.014 20 0 GGADLP CCc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)s1 ZINC000825711385 947294361 /nfs/dbraw/zinc/29/43/61/947294361.db2.gz ALEGNLQOFOBVMK-UHFFFAOYSA-N 2 2 382.537 3.245 20 0 GGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)ccc1F ZINC000826266910 947770279 /nfs/dbraw/zinc/77/02/79/947770279.db2.gz HQTQPLPGYJNNSP-UHFFFAOYSA-N 2 2 380.471 3.068 20 0 GGADLP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826268576 947775424 /nfs/dbraw/zinc/77/54/24/947775424.db2.gz CQWPOIRBKPFKNP-UHFFFAOYSA-N 2 2 394.498 3.111 20 0 GGADLP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826376316 948165328 /nfs/dbraw/zinc/16/53/28/948165328.db2.gz XRTNWUXKUVMMMV-OAQYLSRUSA-N 2 2 392.482 3.247 20 0 GGADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3CCC[C@@H]3C2)CC1 ZINC000826513738 948439402 /nfs/dbraw/zinc/43/94/02/948439402.db2.gz URYZFXACTBEEDY-YFVAEKQCSA-N 2 2 380.540 3.390 20 0 GGADLP CC(C)CCCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC001574194994 950962420 /nfs/dbraw/zinc/96/24/20/950962420.db2.gz FIOZSHBKQWHSMJ-UHFFFAOYSA-N 2 2 379.512 3.363 20 0 GGADLP CCc1oc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C(=O)[O-] ZINC001597793028 989339849 /nfs/dbraw/zinc/33/98/49/989339849.db2.gz QPBZZLWVGQVUEY-UHFFFAOYSA-N 2 2 391.556 3.168 20 0 GGADLP CCc1oc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C(=O)[O-] ZINC001597793028 989339858 /nfs/dbraw/zinc/33/98/58/989339858.db2.gz QPBZZLWVGQVUEY-UHFFFAOYSA-N 2 2 391.556 3.168 20 0 GGADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(C(=O)[O-])c1 ZINC001598585586 993377467 /nfs/dbraw/zinc/37/74/67/993377467.db2.gz SRVMXESGNADMPW-UHFFFAOYSA-N 2 2 379.570 3.074 20 0 GGADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1csc(C(=O)[O-])c1 ZINC001598585586 993377473 /nfs/dbraw/zinc/37/74/73/993377473.db2.gz SRVMXESGNADMPW-UHFFFAOYSA-N 2 2 379.570 3.074 20 0 GGADLP O[C@@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000604765287 1126099264 /nfs/dbraw/zinc/09/92/64/1126099264.db2.gz FFHVPIISDAIVKA-OALUTQOASA-N 2 2 375.394 3.496 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000095955988 211285984 /nfs/dbraw/zinc/28/59/84/211285984.db2.gz INKSFRGKUQVKDH-UHFFFAOYSA-N 2 2 392.507 3.351 20 0 GGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)co2)cc1 ZINC000095449880 211241018 /nfs/dbraw/zinc/24/10/18/211241018.db2.gz ZSQMWEAWJLZKGT-XMSQKQJNSA-N 2 2 398.551 3.198 20 0 GGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)co2)cc1 ZINC000095449880 211241023 /nfs/dbraw/zinc/24/10/23/211241023.db2.gz ZSQMWEAWJLZKGT-XMSQKQJNSA-N 2 2 398.551 3.198 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305299 211086733 /nfs/dbraw/zinc/08/67/33/211086733.db2.gz QBLSRVOHPFEDCH-QUCCMNQESA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072305299 211086734 /nfs/dbraw/zinc/08/67/34/211086734.db2.gz QBLSRVOHPFEDCH-QUCCMNQESA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1F)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072305299 211086738 /nfs/dbraw/zinc/08/67/38/211086738.db2.gz QBLSRVOHPFEDCH-QUCCMNQESA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1F)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305299 211086741 /nfs/dbraw/zinc/08/67/41/211086741.db2.gz QBLSRVOHPFEDCH-QUCCMNQESA-N 2 2 383.511 3.284 20 0 GGADLP CC1CC[NH+](Cc2ccc(CNC(=O)Cc3cn4ccccc4[nH+]3)cc2)CC1 ZINC000030250344 210551981 /nfs/dbraw/zinc/55/19/81/210551981.db2.gz OAZOIKKAUALOCZ-UHFFFAOYSA-N 2 2 376.504 3.425 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118842729 564246825 /nfs/dbraw/zinc/24/68/25/564246825.db2.gz SZALXDIEZFPSFN-LBPRGKRZSA-N 2 2 388.737 3.315 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118842729 564246833 /nfs/dbraw/zinc/24/68/33/564246833.db2.gz SZALXDIEZFPSFN-LBPRGKRZSA-N 2 2 388.737 3.315 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000118842729 564246839 /nfs/dbraw/zinc/24/68/39/564246839.db2.gz SZALXDIEZFPSFN-LBPRGKRZSA-N 2 2 388.737 3.315 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842729 564246844 /nfs/dbraw/zinc/24/68/44/564246844.db2.gz SZALXDIEZFPSFN-LBPRGKRZSA-N 2 2 388.737 3.315 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[N@@H+]1C1CC1 ZINC000120688715 564332752 /nfs/dbraw/zinc/33/27/52/564332752.db2.gz YTIVGMPIADRBBB-WMLDXEAASA-N 2 2 394.357 3.001 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[N@H+]1C1CC1 ZINC000120688715 564332754 /nfs/dbraw/zinc/33/27/54/564332754.db2.gz YTIVGMPIADRBBB-WMLDXEAASA-N 2 2 394.357 3.001 20 0 GGADLP O[C@H](C[NH2+]Cc1csc(Br)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000030903459 564385420 /nfs/dbraw/zinc/38/54/20/564385420.db2.gz LWPVHZMIKHDLKB-MRXNPFEDSA-N 2 2 381.339 3.019 20 0 GGADLP O[C@H](C[NH2+]Cc1csc(Br)c1)C[N@H+]1CCc2ccccc2C1 ZINC000030903459 564385423 /nfs/dbraw/zinc/38/54/23/564385423.db2.gz LWPVHZMIKHDLKB-MRXNPFEDSA-N 2 2 381.339 3.019 20 0 GGADLP Cc1cc(C)c(Br)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000123043161 564436191 /nfs/dbraw/zinc/43/61/91/564436191.db2.gz BWKWBOLBNMHCHW-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP Cc1cc(C)c(Br)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000123043161 564436193 /nfs/dbraw/zinc/43/61/93/564436193.db2.gz BWKWBOLBNMHCHW-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP C[NH+](C)CCCC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000123682425 564458507 /nfs/dbraw/zinc/45/85/07/564458507.db2.gz UPRBZOZNQUSMRN-QGZVFWFLSA-N 2 2 382.346 3.029 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000123806602 564462517 /nfs/dbraw/zinc/46/25/17/564462517.db2.gz ZLYBMSXJTXBHCO-CQSZACIVSA-N 2 2 391.313 3.076 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000123806602 564462519 /nfs/dbraw/zinc/46/25/19/564462519.db2.gz ZLYBMSXJTXBHCO-CQSZACIVSA-N 2 2 391.313 3.076 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000049068358 564548768 /nfs/dbraw/zinc/54/87/68/564548768.db2.gz ZSSXRMPGCHBDMD-GFCCVEGCSA-N 2 2 392.135 3.404 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000049068358 564548771 /nfs/dbraw/zinc/54/87/71/564548771.db2.gz ZSSXRMPGCHBDMD-GFCCVEGCSA-N 2 2 392.135 3.404 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000050801929 564560009 /nfs/dbraw/zinc/56/00/09/564560009.db2.gz SGBNVVZQSDPBNM-UHFFFAOYSA-N 2 2 384.351 3.211 20 0 GGADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052002228 564567841 /nfs/dbraw/zinc/56/78/41/564567841.db2.gz QBRKTDHSAPFVMU-GOSISDBHSA-N 2 2 397.357 3.139 20 0 GGADLP C[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000129588684 564653527 /nfs/dbraw/zinc/65/35/27/564653527.db2.gz KSGOMDDXHSQDDM-DOMZBBRYSA-N 2 2 378.270 3.457 20 0 GGADLP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000129588684 564653531 /nfs/dbraw/zinc/65/35/31/564653531.db2.gz KSGOMDDXHSQDDM-DOMZBBRYSA-N 2 2 378.270 3.457 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CC[NH+](Cc2cccs2)CC1 ZINC000061781138 564709573 /nfs/dbraw/zinc/70/95/73/564709573.db2.gz QCCIFMNAOPRWRA-QGZVFWFLSA-N 2 2 375.563 3.291 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CC[NH+](Cc2cccs2)CC1 ZINC000061781138 564709577 /nfs/dbraw/zinc/70/95/77/564709577.db2.gz QCCIFMNAOPRWRA-QGZVFWFLSA-N 2 2 375.563 3.291 20 0 GGADLP Ic1ccccc1OC1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131635862 564718245 /nfs/dbraw/zinc/71/82/45/564718245.db2.gz HEJNLGGLDTYQFF-UHFFFAOYSA-N 2 2 397.260 3.031 20 0 GGADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131830656 564724948 /nfs/dbraw/zinc/72/49/48/564724948.db2.gz BJIPCHHNZRGARW-ZFWWWQNUSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131830656 564724951 /nfs/dbraw/zinc/72/49/51/564724951.db2.gz BJIPCHHNZRGARW-ZFWWWQNUSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131829302 564725049 /nfs/dbraw/zinc/72/50/49/564725049.db2.gz ITXCEMRXUBYVHV-HOCLYGCPSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131829302 564725054 /nfs/dbraw/zinc/72/50/54/564725054.db2.gz ITXCEMRXUBYVHV-HOCLYGCPSA-N 2 2 383.275 3.281 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCc1[nH+]ccn1Cc1ccccc1 ZINC000132200294 564736252 /nfs/dbraw/zinc/73/62/52/564736252.db2.gz ZOHMNEATFBUJEA-OAHLLOKOSA-N 2 2 388.313 3.111 20 0 GGADLP C[NH+]1CCC(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000135249535 564825761 /nfs/dbraw/zinc/82/57/61/564825761.db2.gz GYDICZCARRVAIB-SFHVURJKSA-N 2 2 394.357 3.044 20 0 GGADLP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000135328456 564828334 /nfs/dbraw/zinc/82/83/34/564828334.db2.gz WZCLJCZOOHZBIH-JTQLQIEISA-N 2 2 377.124 3.167 20 0 GGADLP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000135328456 564828340 /nfs/dbraw/zinc/82/83/40/564828340.db2.gz WZCLJCZOOHZBIH-JTQLQIEISA-N 2 2 377.124 3.167 20 0 GGADLP C[C@H](C[NH2+]Cc1ncc(Br)cc1Br)C[NH+]1CCCC1 ZINC000135301518 564828369 /nfs/dbraw/zinc/82/83/69/564828369.db2.gz RJAKIQXKGSTDLT-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136202562 564846701 /nfs/dbraw/zinc/84/67/01/564846701.db2.gz RMNDRNHIZOACLR-PXAZEXFGSA-N 2 2 381.904 3.422 20 0 GGADLP C[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136202562 564846708 /nfs/dbraw/zinc/84/67/08/564846708.db2.gz RMNDRNHIZOACLR-PXAZEXFGSA-N 2 2 381.904 3.422 20 0 GGADLP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(Br)c1OC ZINC000136302107 564848084 /nfs/dbraw/zinc/84/80/84/564848084.db2.gz DXTXPYHYWIHCOW-UHFFFAOYSA-N 2 2 382.302 3.493 20 0 GGADLP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(Br)c1OC ZINC000136302107 564848089 /nfs/dbraw/zinc/84/80/89/564848089.db2.gz DXTXPYHYWIHCOW-UHFFFAOYSA-N 2 2 382.302 3.493 20 0 GGADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cc(Cl)cc(Cl)c1 ZINC000091955965 564873913 /nfs/dbraw/zinc/87/39/13/564873913.db2.gz ZSDQWSSEGPTEEQ-UHFFFAOYSA-N 2 2 380.323 3.167 20 0 GGADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cc(Cl)cc(Cl)c1 ZINC000091955965 564873916 /nfs/dbraw/zinc/87/39/16/564873916.db2.gz ZSDQWSSEGPTEEQ-UHFFFAOYSA-N 2 2 380.323 3.167 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)ccc3Br)C2)CC1 ZINC000093132878 564883297 /nfs/dbraw/zinc/88/32/97/564883297.db2.gz QKYACNKHTUPTSC-MRXNPFEDSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)ccc3Br)C2)CC1 ZINC000093132878 564883300 /nfs/dbraw/zinc/88/33/00/564883300.db2.gz QKYACNKHTUPTSC-MRXNPFEDSA-N 2 2 386.765 3.314 20 0 GGADLP Ic1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCCO2 ZINC000151133133 564906961 /nfs/dbraw/zinc/90/69/61/564906961.db2.gz DILLCEPQINFIBK-OAHLLOKOSA-N 2 2 397.260 3.381 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000098143997 564913434 /nfs/dbraw/zinc/91/34/34/564913434.db2.gz IGMMCRQUIQALHV-GOEBONIOSA-N 2 2 385.346 3.201 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000098143998 564913696 /nfs/dbraw/zinc/91/36/96/564913696.db2.gz IGMMCRQUIQALHV-HOCLYGCPSA-N 2 2 385.346 3.201 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000151375739 564916842 /nfs/dbraw/zinc/91/68/42/564916842.db2.gz UMMKZILXHBUCOF-KRWDZBQOSA-N 2 2 383.330 3.099 20 0 GGADLP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000106165283 564979353 /nfs/dbraw/zinc/97/93/53/564979353.db2.gz KEEVBCXZPTZGDN-UHFFFAOYSA-N 2 2 392.297 3.366 20 0 GGADLP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c4c(Br)cccc34)C2)CC1 ZINC000106478583 564983947 /nfs/dbraw/zinc/98/39/47/564983947.db2.gz NPJORQQHPUEFTE-OAHLLOKOSA-N 2 2 389.341 3.214 20 0 GGADLP C[C@@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)C[NH+]1CCOCC1 ZINC000153195378 564987690 /nfs/dbraw/zinc/98/76/90/564987690.db2.gz GXRZXLLWPMSCGP-WMLDXEAASA-N 2 2 383.330 3.221 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795897 565031740 /nfs/dbraw/zinc/03/17/40/565031740.db2.gz NTJPRUUXQCTLQC-CYBMUJFWSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1 ZINC000109792647 565031835 /nfs/dbraw/zinc/03/18/35/565031835.db2.gz BDXOAIAFVAMJAW-CQSZACIVSA-N 2 2 391.313 3.160 20 0 GGADLP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154267192 565031891 /nfs/dbraw/zinc/03/18/91/565031891.db2.gz DSWLPADUTDTURM-AAEUAGOBSA-N 2 2 398.370 3.454 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1Br ZINC000109795290 565031986 /nfs/dbraw/zinc/03/19/86/565031986.db2.gz PAUFMTYXKKIYBU-UHFFFAOYSA-N 2 2 377.286 3.230 20 0 GGADLP O=C(CC[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(Br)cc1F ZINC000109795339 565032079 /nfs/dbraw/zinc/03/20/79/565032079.db2.gz IMPOGKDMCJPUQQ-UHFFFAOYSA-N 2 2 395.276 3.450 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793436 565032126 /nfs/dbraw/zinc/03/21/26/565032126.db2.gz LUFYVHZYIZDFRO-CYBMUJFWSA-N 2 2 377.286 3.310 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000110336058 565040070 /nfs/dbraw/zinc/04/00/70/565040070.db2.gz HVGONYSQLRIZIO-UHFFFAOYSA-N 2 2 389.301 3.190 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000110336058 565040075 /nfs/dbraw/zinc/04/00/75/565040075.db2.gz HVGONYSQLRIZIO-UHFFFAOYSA-N 2 2 389.301 3.190 20 0 GGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000111240721 565052319 /nfs/dbraw/zinc/05/23/19/565052319.db2.gz XPKNHBZBEIDSME-UHFFFAOYSA-N 2 2 386.367 3.458 20 0 GGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000111240721 565052322 /nfs/dbraw/zinc/05/23/22/565052322.db2.gz XPKNHBZBEIDSME-UHFFFAOYSA-N 2 2 386.367 3.458 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)ccc3Cl)C2)CC1 ZINC000112731386 565065944 /nfs/dbraw/zinc/06/59/44/565065944.db2.gz WGPPCAPXDWWXPZ-MRXNPFEDSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)ccc3Cl)C2)CC1 ZINC000112731386 565065945 /nfs/dbraw/zinc/06/59/45/565065945.db2.gz WGPPCAPXDWWXPZ-MRXNPFEDSA-N 2 2 386.765 3.314 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000369268006 565083717 /nfs/dbraw/zinc/08/37/17/565083717.db2.gz QSGNHDACPUDMJU-CYBMUJFWSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000369268006 565083723 /nfs/dbraw/zinc/08/37/23/565083723.db2.gz QSGNHDACPUDMJU-CYBMUJFWSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCSc3ccccc3Cl)C2)CC1 ZINC000369264547 565084030 /nfs/dbraw/zinc/08/40/30/565084030.db2.gz BNMWRYDEDDTADY-HNNXBMFYSA-N 2 2 381.973 3.107 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCSc3ccccc3Cl)C2)CC1 ZINC000369264547 565084032 /nfs/dbraw/zinc/08/40/32/565084032.db2.gz BNMWRYDEDDTADY-HNNXBMFYSA-N 2 2 381.973 3.107 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156404148 565085775 /nfs/dbraw/zinc/08/57/75/565085775.db2.gz PWMREONOAHNUHC-DYVFJYSZSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156404148 565085779 /nfs/dbraw/zinc/08/57/79/565085779.db2.gz PWMREONOAHNUHC-DYVFJYSZSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156458555 565088515 /nfs/dbraw/zinc/08/85/15/565088515.db2.gz ZDBMMNUNAQEORL-BBRMVZONSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156458555 565088521 /nfs/dbraw/zinc/08/85/21/565088521.db2.gz ZDBMMNUNAQEORL-BBRMVZONSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156484052 565089701 /nfs/dbraw/zinc/08/97/01/565089701.db2.gz ZUGOHYWDZVKFJW-WBMJQRKESA-N 2 2 395.276 3.306 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156484052 565089705 /nfs/dbraw/zinc/08/97/05/565089705.db2.gz ZUGOHYWDZVKFJW-WBMJQRKESA-N 2 2 395.276 3.306 20 0 GGADLP C[C@@H](C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000183795599 565094953 /nfs/dbraw/zinc/09/49/53/565094953.db2.gz NXOUNUAZMPOIBW-KXBFYZLASA-N 2 2 392.341 3.357 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156565353 565095258 /nfs/dbraw/zinc/09/52/58/565095258.db2.gz HBMLLLCGPXWXJY-CXAGYDPISA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156565353 565095260 /nfs/dbraw/zinc/09/52/60/565095260.db2.gz HBMLLLCGPXWXJY-CXAGYDPISA-N 2 2 391.313 3.476 20 0 GGADLP C[C@@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000183795630 565095273 /nfs/dbraw/zinc/09/52/73/565095273.db2.gz NXOUNUAZMPOIBW-HNAYVOBHSA-N 2 2 392.341 3.357 20 0 GGADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000183801977 565095468 /nfs/dbraw/zinc/09/54/68/565095468.db2.gz CDHTYOVMVUHGRT-KXBFYZLASA-N 2 2 392.341 3.357 20 0 GGADLP Brc1ccc2[nH+]ccc(N3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000267070680 565103867 /nfs/dbraw/zinc/10/38/67/565103867.db2.gz QPAYQMNYJKGVMV-UHFFFAOYSA-N 2 2 376.298 3.298 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)cc(Br)c3)C2)CC1 ZINC000370083744 565126069 /nfs/dbraw/zinc/12/60/69/565126069.db2.gz SUTBOYAYEKXJSH-SFHVURJKSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)cc(Br)c3)C2)CC1 ZINC000370083744 565126076 /nfs/dbraw/zinc/12/60/76/565126076.db2.gz SUTBOYAYEKXJSH-SFHVURJKSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Br)cc1 ZINC000292903243 565140955 /nfs/dbraw/zinc/14/09/55/565140955.db2.gz GTBXJIQFMFWNIB-HNAYVOBHSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Br)cc1 ZINC000292903243 565140959 /nfs/dbraw/zinc/14/09/59/565140959.db2.gz GTBXJIQFMFWNIB-HNAYVOBHSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Br)cc1 ZINC000292903243 565140964 /nfs/dbraw/zinc/14/09/64/565140964.db2.gz GTBXJIQFMFWNIB-HNAYVOBHSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(Br)cc1 ZINC000292903243 565140969 /nfs/dbraw/zinc/14/09/69/565140969.db2.gz GTBXJIQFMFWNIB-HNAYVOBHSA-N 2 2 394.357 3.044 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000293032158 565146660 /nfs/dbraw/zinc/14/66/60/565146660.db2.gz JAMYIRPVBUEDBO-LRDDRELGSA-N 2 2 375.738 3.194 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000293032158 565146666 /nfs/dbraw/zinc/14/66/66/565146666.db2.gz JAMYIRPVBUEDBO-LRDDRELGSA-N 2 2 375.738 3.194 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000293032165 565147399 /nfs/dbraw/zinc/14/73/99/565147399.db2.gz JAMYIRPVBUEDBO-WBMJQRKESA-N 2 2 375.738 3.194 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000293032165 565147402 /nfs/dbraw/zinc/14/74/02/565147402.db2.gz JAMYIRPVBUEDBO-WBMJQRKESA-N 2 2 375.738 3.194 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370699837 565157150 /nfs/dbraw/zinc/15/71/50/565157150.db2.gz RJJJYUOUFYYNFN-NVXWUHKLSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cnc(-c3cccs3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370699837 565157157 /nfs/dbraw/zinc/15/71/57/565157157.db2.gz RJJJYUOUFYYNFN-NVXWUHKLSA-N 2 2 376.595 3.329 20 0 GGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370702672 565157558 /nfs/dbraw/zinc/15/75/58/565157558.db2.gz QSXSNYUGVVQEQT-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370702672 565157567 /nfs/dbraw/zinc/15/75/67/565157567.db2.gz QSXSNYUGVVQEQT-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Br ZINC000370708763 565158193 /nfs/dbraw/zinc/15/81/93/565158193.db2.gz ICWASMPQGDCMNI-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Br ZINC000370708763 565158195 /nfs/dbraw/zinc/15/81/95/565158195.db2.gz ICWASMPQGDCMNI-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830133 565163530 /nfs/dbraw/zinc/16/35/30/565163530.db2.gz LFWIXQJPEOEFMQ-INIZCTEOSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830133 565163537 /nfs/dbraw/zinc/16/35/37/565163537.db2.gz LFWIXQJPEOEFMQ-INIZCTEOSA-N 2 2 384.351 3.163 20 0 GGADLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)c(OC)c1 ZINC000268753220 565166038 /nfs/dbraw/zinc/16/60/38/565166038.db2.gz WIPDZHBVRCBIHV-ZDUSSCGKSA-N 2 2 378.485 3.074 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000268764486 565166514 /nfs/dbraw/zinc/16/65/14/565166514.db2.gz NGCVIMMGPOMNMY-GIPNMCIBSA-N 2 2 375.826 3.220 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000268764486 565166517 /nfs/dbraw/zinc/16/65/17/565166517.db2.gz NGCVIMMGPOMNMY-GIPNMCIBSA-N 2 2 375.826 3.220 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@H](C)C1 ZINC000268760308 565167050 /nfs/dbraw/zinc/16/70/50/565167050.db2.gz LDUOWPZSTGQKHJ-MFKMUULPSA-N 2 2 375.826 3.221 20 0 GGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@H](C)C1 ZINC000268760308 565167054 /nfs/dbraw/zinc/16/70/54/565167054.db2.gz LDUOWPZSTGQKHJ-MFKMUULPSA-N 2 2 375.826 3.221 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2I)CC1 ZINC000268799677 565167500 /nfs/dbraw/zinc/16/75/00/565167500.db2.gz JSVSHHGJGXGURC-ZDUSSCGKSA-N 2 2 388.293 3.053 20 0 GGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000268787556 565167842 /nfs/dbraw/zinc/16/78/42/565167842.db2.gz FDKYQYDCTWALHX-GFCCVEGCSA-N 2 2 389.301 3.194 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000268829701 565169277 /nfs/dbraw/zinc/16/92/77/565169277.db2.gz QRLYIOLCXMVMTC-STQMWFEESA-N 2 2 389.301 3.274 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000268829696 565169504 /nfs/dbraw/zinc/16/95/04/565169504.db2.gz QRLYIOLCXMVMTC-OLZOCXBDSA-N 2 2 389.301 3.274 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)ccc1Br ZINC000184991588 565170604 /nfs/dbraw/zinc/17/06/04/565170604.db2.gz QTUGBDWAADXZCB-RKVPGOIHSA-N 2 2 392.341 3.079 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)ccc1Br ZINC000184991588 565170612 /nfs/dbraw/zinc/17/06/12/565170612.db2.gz QTUGBDWAADXZCB-RKVPGOIHSA-N 2 2 392.341 3.079 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]21 ZINC000158526097 565172584 /nfs/dbraw/zinc/17/25/84/565172584.db2.gz DCNGSSMRVOXHNZ-RYUDHWBXSA-N 2 2 381.274 3.008 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]21 ZINC000158526097 565172587 /nfs/dbraw/zinc/17/25/87/565172587.db2.gz DCNGSSMRVOXHNZ-RYUDHWBXSA-N 2 2 381.274 3.008 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]21 ZINC000158526097 565172593 /nfs/dbraw/zinc/17/25/93/565172593.db2.gz DCNGSSMRVOXHNZ-RYUDHWBXSA-N 2 2 381.274 3.008 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]21 ZINC000158526097 565172599 /nfs/dbraw/zinc/17/25/99/565172599.db2.gz DCNGSSMRVOXHNZ-RYUDHWBXSA-N 2 2 381.274 3.008 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158570845 565173362 /nfs/dbraw/zinc/17/33/62/565173362.db2.gz XDWAPCCRKGCUTF-CKEIUWERSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158570845 565173365 /nfs/dbraw/zinc/17/33/65/565173365.db2.gz XDWAPCCRKGCUTF-CKEIUWERSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158570845 565173367 /nfs/dbraw/zinc/17/33/67/565173367.db2.gz XDWAPCCRKGCUTF-CKEIUWERSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158570845 565173369 /nfs/dbraw/zinc/17/33/69/565173369.db2.gz XDWAPCCRKGCUTF-CKEIUWERSA-N 2 2 380.330 3.192 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158754001 565180150 /nfs/dbraw/zinc/18/01/50/565180150.db2.gz JMGMASHUUVJVBT-YJBOKZPZSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158754001 565180156 /nfs/dbraw/zinc/18/01/56/565180156.db2.gz JMGMASHUUVJVBT-YJBOKZPZSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158754001 565180160 /nfs/dbraw/zinc/18/01/60/565180160.db2.gz JMGMASHUUVJVBT-YJBOKZPZSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158754001 565180167 /nfs/dbraw/zinc/18/01/67/565180167.db2.gz JMGMASHUUVJVBT-YJBOKZPZSA-N 2 2 384.351 3.368 20 0 GGADLP COc1cc(Br)c(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc1OC ZINC000185187862 565185297 /nfs/dbraw/zinc/18/52/97/565185297.db2.gz OBTUVQYOMUWNJF-UHFFFAOYSA-N 2 2 380.286 3.217 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000185196035 565185317 /nfs/dbraw/zinc/18/53/17/565185317.db2.gz CFVGWOISPUKJOV-OAHLLOKOSA-N 2 2 375.314 3.279 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371305618 565185337 /nfs/dbraw/zinc/18/53/37/565185337.db2.gz ZMISYYZIIWHZPP-RDTXWAMCSA-N 2 2 384.337 3.046 20 0 GGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000371300531 565185391 /nfs/dbraw/zinc/18/53/91/565185391.db2.gz PKTQCYZMYOBYNS-QGPMSJSTSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1Br ZINC000371300531 565185396 /nfs/dbraw/zinc/18/53/96/565185396.db2.gz PKTQCYZMYOBYNS-QGPMSJSTSA-N 2 2 383.330 3.141 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000158909360 565186101 /nfs/dbraw/zinc/18/61/01/565186101.db2.gz HAVXCJFZMZGFCP-YPMHNXCESA-N 2 2 397.342 3.477 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000158909360 565186114 /nfs/dbraw/zinc/18/61/14/565186114.db2.gz HAVXCJFZMZGFCP-YPMHNXCESA-N 2 2 397.342 3.477 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000158909360 565186122 /nfs/dbraw/zinc/18/61/22/565186122.db2.gz HAVXCJFZMZGFCP-YPMHNXCESA-N 2 2 397.342 3.477 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000158909360 565186132 /nfs/dbraw/zinc/18/61/32/565186132.db2.gz HAVXCJFZMZGFCP-YPMHNXCESA-N 2 2 397.342 3.477 20 0 GGADLP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000371420300 565192852 /nfs/dbraw/zinc/19/28/52/565192852.db2.gz VJJSKENFWRSAAA-LPHOPBHVSA-N 2 2 380.374 3.264 20 0 GGADLP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000371420300 565192856 /nfs/dbraw/zinc/19/28/56/565192856.db2.gz VJJSKENFWRSAAA-LPHOPBHVSA-N 2 2 380.374 3.264 20 0 GGADLP C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730716 565219207 /nfs/dbraw/zinc/21/92/07/565219207.db2.gz ZIEKHFXKWMJUGP-JOQOYGCGSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730716 565219211 /nfs/dbraw/zinc/21/92/11/565219211.db2.gz ZIEKHFXKWMJUGP-JOQOYGCGSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000270802913 565228697 /nfs/dbraw/zinc/22/86/97/565228697.db2.gz ARKSHSYTBIRGBD-HNNXBMFYSA-N 2 2 396.373 3.037 20 0 GGADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000270802913 565228702 /nfs/dbraw/zinc/22/87/02/565228702.db2.gz ARKSHSYTBIRGBD-HNNXBMFYSA-N 2 2 396.373 3.037 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372329371 565232114 /nfs/dbraw/zinc/23/21/14/565232114.db2.gz BMKCQZLVRSCGCR-RDTXWAMCSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372329371 565232121 /nfs/dbraw/zinc/23/21/21/565232121.db2.gz BMKCQZLVRSCGCR-RDTXWAMCSA-N 2 2 384.337 3.046 20 0 GGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2cn3ccsc3n2)CC1 ZINC000271325209 565248766 /nfs/dbraw/zinc/24/87/66/565248766.db2.gz DXBNEEPWTDZZJO-UHFFFAOYSA-N 2 2 375.929 3.091 20 0 GGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(Br)cc1 ZINC000271515735 565256782 /nfs/dbraw/zinc/25/67/82/565256782.db2.gz NTLJKWWZRDDZFM-IBGZPJMESA-N 2 2 390.325 3.132 20 0 GGADLP COc1c(Br)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372980082 565263240 /nfs/dbraw/zinc/26/32/40/565263240.db2.gz OIQCGLTZCLNGMD-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP COc1c(Br)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372980082 565263244 /nfs/dbraw/zinc/26/32/44/565263244.db2.gz OIQCGLTZCLNGMD-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000373116437 565270546 /nfs/dbraw/zinc/27/05/46/565270546.db2.gz VZNOEPKJNFVTJU-GFCCVEGCSA-N 2 2 395.276 3.140 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000373116437 565270553 /nfs/dbraw/zinc/27/05/53/565270553.db2.gz VZNOEPKJNFVTJU-GFCCVEGCSA-N 2 2 395.276 3.140 20 0 GGADLP O=C(NCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Cl)cc1 ZINC000272628970 565292017 /nfs/dbraw/zinc/29/20/17/565292017.db2.gz ZXIORVGPVFHNFK-UHFFFAOYSA-N 2 2 377.838 3.076 20 0 GGADLP C[N@H+](CCC[NH2+][C@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000161884696 565296348 /nfs/dbraw/zinc/29/63/48/565296348.db2.gz RDMJRRGWJSLOHK-KRWDZBQOSA-N 2 2 382.346 3.220 20 0 GGADLP C[N@@H+](CCC[NH2+][C@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000161884696 565296352 /nfs/dbraw/zinc/29/63/52/565296352.db2.gz RDMJRRGWJSLOHK-KRWDZBQOSA-N 2 2 382.346 3.220 20 0 GGADLP C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373904806 565308742 /nfs/dbraw/zinc/30/87/42/565308742.db2.gz JANLEQLNISSGSL-NUEKZKHPSA-N 2 2 381.973 3.132 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000296278850 565310058 /nfs/dbraw/zinc/31/00/58/565310058.db2.gz DXJBSPWYSHQDPR-GPCCPHFNSA-N 2 2 391.151 3.425 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000296278850 565310062 /nfs/dbraw/zinc/31/00/62/565310062.db2.gz DXJBSPWYSHQDPR-GPCCPHFNSA-N 2 2 391.151 3.425 20 0 GGADLP C[C@H](C[NH2+]Cc1ncc(Br)cc1Br)Cn1cc[nH+]c1 ZINC000273247236 565314324 /nfs/dbraw/zinc/31/43/24/565314324.db2.gz VNNVTGKNELXOJL-SNVBAGLBSA-N 2 2 388.107 3.229 20 0 GGADLP C[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)Cn1cc[nH+]c1 ZINC000273247233 565314537 /nfs/dbraw/zinc/31/45/37/565314537.db2.gz VNNVTGKNELXOJL-JTQLQIEISA-N 2 2 388.107 3.229 20 0 GGADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000187250888 565319014 /nfs/dbraw/zinc/31/90/14/565319014.db2.gz IZOHHGPULPBAKY-CQSZACIVSA-N 2 2 383.330 3.048 20 0 GGADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000187306871 565321791 /nfs/dbraw/zinc/32/17/91/565321791.db2.gz URAKKGFYFSVLLH-MSOLQXFVSA-N 2 2 397.357 3.315 20 0 GGADLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000187299051 565321921 /nfs/dbraw/zinc/32/19/21/565321921.db2.gz JQJBOKKKAUYJKB-DQYPLSBCSA-N 2 2 382.277 3.401 20 0 GGADLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000187299051 565321926 /nfs/dbraw/zinc/32/19/26/565321926.db2.gz JQJBOKKKAUYJKB-DQYPLSBCSA-N 2 2 382.277 3.401 20 0 GGADLP C[C@@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374327176 565332825 /nfs/dbraw/zinc/33/28/25/565332825.db2.gz HMUFRIVCGIDAGI-NVXWUHKLSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374327176 565332828 /nfs/dbraw/zinc/33/28/28/565332828.db2.gz HMUFRIVCGIDAGI-NVXWUHKLSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(Br)ncc1F ZINC000273819467 565339445 /nfs/dbraw/zinc/33/94/45/565339445.db2.gz CMWLRXGZVSGVSI-QWHCGFSZSA-N 2 2 386.309 3.135 20 0 GGADLP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCc3ccccc3Br)CC2)C1 ZINC000374582196 565346439 /nfs/dbraw/zinc/34/64/39/565346439.db2.gz BWJQELCXEVFOQL-SFHVURJKSA-N 2 2 380.374 3.094 20 0 GGADLP C[N@H+]1CCC[C@H](N2CC[NH+](CCCc3ccccc3Br)CC2)C1 ZINC000374582196 565346441 /nfs/dbraw/zinc/34/64/41/565346441.db2.gz BWJQELCXEVFOQL-SFHVURJKSA-N 2 2 380.374 3.094 20 0 GGADLP COC1CC[NH+](CC[NH2+][C@H](C)c2ccc(I)cc2)CC1 ZINC000163728449 565350993 /nfs/dbraw/zinc/35/09/93/565350993.db2.gz RNIPSMYCHFFMAJ-CYBMUJFWSA-N 2 2 388.293 3.053 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000375081041 565367254 /nfs/dbraw/zinc/36/72/54/565367254.db2.gz NXVNRXMESAPAKG-CQSZACIVSA-N 2 2 388.313 3.285 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000375081041 565367258 /nfs/dbraw/zinc/36/72/58/565367258.db2.gz NXVNRXMESAPAKG-CQSZACIVSA-N 2 2 388.313 3.285 20 0 GGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000166356541 565374668 /nfs/dbraw/zinc/37/46/68/565374668.db2.gz TVKRBFSSFUXALQ-MELADBBJSA-N 2 2 381.314 3.498 20 0 GGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000166356541 565374672 /nfs/dbraw/zinc/37/46/72/565374672.db2.gz TVKRBFSSFUXALQ-MELADBBJSA-N 2 2 381.314 3.498 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000167615333 565379782 /nfs/dbraw/zinc/37/97/82/565379782.db2.gz XDKXKUOJJBFBFL-GOSISDBHSA-N 2 2 394.357 3.044 20 0 GGADLP CC[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000168942930 565381677 /nfs/dbraw/zinc/38/16/77/565381677.db2.gz RYRBUDSFDSHPIC-LJQANCHMSA-N 2 2 388.383 3.424 20 0 GGADLP C[NH+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000170756966 565391130 /nfs/dbraw/zinc/39/11/30/565391130.db2.gz PRMFFIWJEFFCDX-KRWDZBQOSA-N 2 2 377.941 3.179 20 0 GGADLP C[NH+](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000170756966 565391136 /nfs/dbraw/zinc/39/11/36/565391136.db2.gz PRMFFIWJEFFCDX-KRWDZBQOSA-N 2 2 377.941 3.179 20 0 GGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cncc(Br)c3)CC2)C[C@@H](C)O1 ZINC000170780075 565391705 /nfs/dbraw/zinc/39/17/05/565391705.db2.gz KQPLWRYNOXNBGR-HUUCEWRRSA-N 2 2 382.346 3.165 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3c(Cl)cnn3C)[nH+]c12 ZINC000275433043 565410873 /nfs/dbraw/zinc/41/08/73/565410873.db2.gz CZYZCIYYPKPNRH-UHFFFAOYSA-N 2 2 382.693 3.124 20 0 GGADLP O[C@@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000188618657 565414146 /nfs/dbraw/zinc/41/41/46/565414146.db2.gz KTQLZDWBTGGKJZ-JSGCOSHPSA-N 2 2 376.385 3.476 20 0 GGADLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000298556484 565420726 /nfs/dbraw/zinc/42/07/26/565420726.db2.gz VKRBZVRCMORMGP-UHFFFAOYSA-N 2 2 396.329 3.007 20 0 GGADLP COc1cc(Br)c(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1OC ZINC000376727282 565451425 /nfs/dbraw/zinc/45/14/25/565451425.db2.gz CVIJSUOEFWVSLM-UHFFFAOYSA-N 2 2 380.286 3.289 20 0 GGADLP Brc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc2c1OCCO2 ZINC000376727621 565451513 /nfs/dbraw/zinc/45/15/13/565451513.db2.gz FLWSCMNKHMKKTN-UHFFFAOYSA-N 2 2 378.270 3.043 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000276577732 565453440 /nfs/dbraw/zinc/45/34/40/565453440.db2.gz CCSYKJQFPANYTC-AAEUAGOBSA-N 2 2 394.279 3.364 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000276577732 565453446 /nfs/dbraw/zinc/45/34/46/565453446.db2.gz CCSYKJQFPANYTC-AAEUAGOBSA-N 2 2 394.279 3.364 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Br)c(Cl)c3)C2)CC1 ZINC000189239433 565453708 /nfs/dbraw/zinc/45/37/08/565453708.db2.gz GXVIJMIXOFVBDR-OAHLLOKOSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)CC1 ZINC000189239433 565453709 /nfs/dbraw/zinc/45/37/09/565453709.db2.gz GXVIJMIXOFVBDR-OAHLLOKOSA-N 2 2 386.765 3.314 20 0 GGADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(Cl)ccc1Cl ZINC000189270415 565455575 /nfs/dbraw/zinc/45/55/75/565455575.db2.gz DASOITIDCDWXFF-CYBMUJFWSA-N 2 2 380.323 3.386 20 0 GGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000171960278 565460548 /nfs/dbraw/zinc/46/05/48/565460548.db2.gz QVMCWBGLGORDEV-GJZGRUSLSA-N 2 2 382.346 3.165 20 0 GGADLP Cn1nc(Br)c2c1nc[nH+]c2NCCCCC[NH+]1CCCCC1 ZINC000301230805 565473155 /nfs/dbraw/zinc/47/31/55/565473155.db2.gz FFLWGYKZJXSXPA-UHFFFAOYSA-N 2 2 381.322 3.194 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000277161775 565479876 /nfs/dbraw/zinc/47/98/76/565479876.db2.gz KEVNYBUOWYOEDG-PBHICJAKSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000277161775 565479878 /nfs/dbraw/zinc/47/98/78/565479878.db2.gz KEVNYBUOWYOEDG-PBHICJAKSA-N 2 2 382.346 3.042 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2nc3ccccn3c2Br)cn1 ZINC000377624962 565489393 /nfs/dbraw/zinc/48/93/93/565489393.db2.gz MFBPXQNFKJVGFW-UHFFFAOYSA-N 2 2 397.280 3.276 20 0 GGADLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301534789 565493480 /nfs/dbraw/zinc/49/34/80/565493480.db2.gz QMNSFWZUDNPQMN-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP CCN1CC[NH+]([C@@H](C)CNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301534789 565493484 /nfs/dbraw/zinc/49/34/84/565493484.db2.gz QMNSFWZUDNPQMN-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000172651713 565496365 /nfs/dbraw/zinc/49/63/65/565496365.db2.gz TZNZRAZRSXPHQI-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000172651713 565496369 /nfs/dbraw/zinc/49/63/69/565496369.db2.gz TZNZRAZRSXPHQI-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000172651712 565496966 /nfs/dbraw/zinc/49/69/66/565496966.db2.gz TZNZRAZRSXPHQI-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000172651712 565496971 /nfs/dbraw/zinc/49/69/71/565496971.db2.gz TZNZRAZRSXPHQI-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000189934464 565498727 /nfs/dbraw/zinc/49/87/27/565498727.db2.gz FKJHKJQBZORZEA-UHFFFAOYSA-N 2 2 398.364 3.362 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(Br)ccc(F)c3C2)CC1 ZINC000189934464 565498732 /nfs/dbraw/zinc/49/87/32/565498732.db2.gz FKJHKJQBZORZEA-UHFFFAOYSA-N 2 2 398.364 3.362 20 0 GGADLP Cc1cc(CNc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)ncc1Br ZINC000623469006 565512546 /nfs/dbraw/zinc/51/25/46/565512546.db2.gz MUMQEDANOUTFOO-INIZCTEOSA-N 2 2 390.329 3.300 20 0 GGADLP Cc1c(Br)cccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172929585 565513775 /nfs/dbraw/zinc/51/37/75/565513775.db2.gz BZOIDGAIQQLAPL-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP C[C@H]1C[N@H+](Cc2c(F)cccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378386834 565524822 /nfs/dbraw/zinc/52/48/22/565524822.db2.gz WIODUMWOKYLTFG-KSSFIOAISA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378386834 565524824 /nfs/dbraw/zinc/52/48/24/565524824.db2.gz WIODUMWOKYLTFG-KSSFIOAISA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000302259133 565538301 /nfs/dbraw/zinc/53/83/01/565538301.db2.gz PDDSFNQMRPDSMK-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000302259133 565538306 /nfs/dbraw/zinc/53/83/06/565538306.db2.gz PDDSFNQMRPDSMK-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP Cc1nn(C)c(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000379629237 565538929 /nfs/dbraw/zinc/53/89/29/565538929.db2.gz OOHLVSCFVFKGDD-AWEZNQCLSA-N 2 2 379.346 3.491 20 0 GGADLP Cc1nn(C)c(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1Br ZINC000379629237 565538932 /nfs/dbraw/zinc/53/89/32/565538932.db2.gz OOHLVSCFVFKGDD-AWEZNQCLSA-N 2 2 379.346 3.491 20 0 GGADLP C[C@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2c(Br)cccc12 ZINC000302289666 565539574 /nfs/dbraw/zinc/53/95/74/565539574.db2.gz WIWGSUCXMGVLPQ-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2c(Br)cccc12 ZINC000302289666 565539576 /nfs/dbraw/zinc/53/95/76/565539576.db2.gz WIWGSUCXMGVLPQ-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[N@@H+]1CC(C)(C)O ZINC000302461359 565541946 /nfs/dbraw/zinc/54/19/46/565541946.db2.gz ADSWQNPLPWYJHT-CYBMUJFWSA-N 2 2 378.314 3.279 20 0 GGADLP C[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[N@H+]1CC(C)(C)O ZINC000302461359 565541947 /nfs/dbraw/zinc/54/19/47/565541947.db2.gz ADSWQNPLPWYJHT-CYBMUJFWSA-N 2 2 378.314 3.279 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000383443587 565544476 /nfs/dbraw/zinc/54/44/76/565544476.db2.gz HPNOBCFTMFEAGJ-QGZVFWFLSA-N 2 2 391.357 3.493 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000383443587 565544481 /nfs/dbraw/zinc/54/44/81/565544481.db2.gz HPNOBCFTMFEAGJ-QGZVFWFLSA-N 2 2 391.357 3.493 20 0 GGADLP Brc1cnn(CCC[NH2+][C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000390769763 565557710 /nfs/dbraw/zinc/55/77/10/565557710.db2.gz IHEZFXWADQHLEI-SFHVURJKSA-N 2 2 377.330 3.290 20 0 GGADLP Brc1cnn(CCC[NH2+][C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390769763 565557716 /nfs/dbraw/zinc/55/77/16/565557716.db2.gz IHEZFXWADQHLEI-SFHVURJKSA-N 2 2 377.330 3.290 20 0 GGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)CC1 ZINC000190803897 565559448 /nfs/dbraw/zinc/55/94/48/565559448.db2.gz CHJGEFUTNMJPGB-UHFFFAOYSA-N 2 2 378.314 3.079 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)CC1 ZINC000190803897 565559454 /nfs/dbraw/zinc/55/94/54/565559454.db2.gz CHJGEFUTNMJPGB-UHFFFAOYSA-N 2 2 378.314 3.079 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Br)c1 ZINC000391521655 565561504 /nfs/dbraw/zinc/56/15/04/565561504.db2.gz SNXVGBBMROBFDJ-WBVHZDCISA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Br)c1 ZINC000391521655 565561507 /nfs/dbraw/zinc/56/15/07/565561507.db2.gz SNXVGBBMROBFDJ-WBVHZDCISA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Br)c1 ZINC000391521655 565561509 /nfs/dbraw/zinc/56/15/09/565561509.db2.gz SNXVGBBMROBFDJ-WBVHZDCISA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000391521655 565561515 /nfs/dbraw/zinc/56/15/15/565561515.db2.gz SNXVGBBMROBFDJ-WBVHZDCISA-N 2 2 381.314 3.152 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)s3)CC2)CC1 ZINC000278605549 565568776 /nfs/dbraw/zinc/56/87/76/565568776.db2.gz JBTKKUJBWGAPOA-HZPDHXFCSA-N 2 2 381.973 3.180 20 0 GGADLP C[C@H](C[NH2+]Cc1c(Br)cncc1Br)C[NH+]1CCCC1 ZINC000394632447 565572202 /nfs/dbraw/zinc/57/22/02/565572202.db2.gz NWDYPTAUNGPSFO-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000397339510 565575183 /nfs/dbraw/zinc/57/51/83/565575183.db2.gz VEPWKZPFHMHKQC-YRGRVCCFSA-N 2 2 379.302 3.304 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000397339510 565575188 /nfs/dbraw/zinc/57/51/88/565575188.db2.gz VEPWKZPFHMHKQC-YRGRVCCFSA-N 2 2 379.302 3.304 20 0 GGADLP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1 ZINC000305890621 565576228 /nfs/dbraw/zinc/57/62/28/565576228.db2.gz XRWUYKGBDXYELS-UHFFFAOYSA-N 2 2 394.288 3.378 20 0 GGADLP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1 ZINC000305890621 565576234 /nfs/dbraw/zinc/57/62/34/565576234.db2.gz XRWUYKGBDXYELS-UHFFFAOYSA-N 2 2 394.288 3.378 20 0 GGADLP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Cl)ccc1I ZINC000405198249 565585884 /nfs/dbraw/zinc/58/58/84/565585884.db2.gz DJOUQMSGIVLZQU-UHFFFAOYSA-N 2 2 375.641 3.239 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174218042 565621595 /nfs/dbraw/zinc/62/15/95/565621595.db2.gz LFVFLWFPYXPZSB-JKSUJKDBSA-N 2 2 396.373 3.290 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174218042 565621596 /nfs/dbraw/zinc/62/15/96/565621596.db2.gz LFVFLWFPYXPZSB-JKSUJKDBSA-N 2 2 396.373 3.290 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696310 565621936 /nfs/dbraw/zinc/62/19/36/565621936.db2.gz KABATYGYVOBGPQ-INIZCTEOSA-N 2 2 396.373 3.059 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696310 565621939 /nfs/dbraw/zinc/62/19/39/565621939.db2.gz KABATYGYVOBGPQ-INIZCTEOSA-N 2 2 396.373 3.059 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696310 565621943 /nfs/dbraw/zinc/62/19/43/565621943.db2.gz KABATYGYVOBGPQ-INIZCTEOSA-N 2 2 396.373 3.059 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696310 565621946 /nfs/dbraw/zinc/62/19/46/565621946.db2.gz KABATYGYVOBGPQ-INIZCTEOSA-N 2 2 396.373 3.059 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174228512 565622582 /nfs/dbraw/zinc/62/25/82/565622582.db2.gz MTIGEBSRWPYOBC-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174228512 565622588 /nfs/dbraw/zinc/62/25/88/565622588.db2.gz MTIGEBSRWPYOBC-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(Cl)c1 ZINC000409614846 565627582 /nfs/dbraw/zinc/62/75/82/565627582.db2.gz XXNWWPBCGXIOBT-SFHVURJKSA-N 2 2 377.941 3.349 20 0 GGADLP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3c(Br)ccc(F)c23)CCCO1 ZINC000409666154 565631345 /nfs/dbraw/zinc/63/13/45/565631345.db2.gz QBRQDZKCQSGLQC-CYBMUJFWSA-N 2 2 396.304 3.471 20 0 GGADLP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3c(Br)ccc(F)c23)CCCO1 ZINC000409666154 565631349 /nfs/dbraw/zinc/63/13/49/565631349.db2.gz QBRQDZKCQSGLQC-CYBMUJFWSA-N 2 2 396.304 3.471 20 0 GGADLP C[C@H](CO)[N@@H+]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000409667721 565631699 /nfs/dbraw/zinc/63/16/99/565631699.db2.gz VLNUICMXSXUSTD-GFCCVEGCSA-N 2 2 382.277 3.029 20 0 GGADLP C[C@H](CO)[N@H+]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000409667721 565631703 /nfs/dbraw/zinc/63/17/03/565631703.db2.gz VLNUICMXSXUSTD-GFCCVEGCSA-N 2 2 382.277 3.029 20 0 GGADLP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279983250 565644450 /nfs/dbraw/zinc/64/44/50/565644450.db2.gz DUIUPMLPIQFUMZ-LLVKDONJSA-N 2 2 382.357 3.022 20 0 GGADLP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279983250 565644455 /nfs/dbraw/zinc/64/44/55/565644455.db2.gz DUIUPMLPIQFUMZ-LLVKDONJSA-N 2 2 382.357 3.022 20 0 GGADLP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279983251 565645010 /nfs/dbraw/zinc/64/50/10/565645010.db2.gz DUIUPMLPIQFUMZ-NSHDSACASA-N 2 2 382.357 3.022 20 0 GGADLP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000279983251 565645015 /nfs/dbraw/zinc/64/50/15/565645015.db2.gz DUIUPMLPIQFUMZ-NSHDSACASA-N 2 2 382.357 3.022 20 0 GGADLP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280065885 565649435 /nfs/dbraw/zinc/64/94/35/565649435.db2.gz KRVNIXXKRZTZIT-SDDRHHMPSA-N 2 2 394.368 3.164 20 0 GGADLP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000280171080 565656875 /nfs/dbraw/zinc/65/68/75/565656875.db2.gz RDXZUPCQSKOIDA-NSHDSACASA-N 2 2 394.368 3.164 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCS[C@H](C)CC3)n2)CC1 ZINC000192170231 565665774 /nfs/dbraw/zinc/66/57/74/565665774.db2.gz JSJKPMUXHHQISV-OAHLLOKOSA-N 2 2 382.599 3.141 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCS[C@H](C)CC3)n2)CC1 ZINC000192170231 565665776 /nfs/dbraw/zinc/66/57/76/565665776.db2.gz JSJKPMUXHHQISV-OAHLLOKOSA-N 2 2 382.599 3.141 20 0 GGADLP O=C(CCc1c[nH+]c[nH]1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000193206143 565738025 /nfs/dbraw/zinc/73/80/25/565738025.db2.gz WKYPMTRJXYWRQP-UHFFFAOYSA-N 2 2 381.307 3.430 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000176283204 565761523 /nfs/dbraw/zinc/76/15/23/565761523.db2.gz BBRUHPDJCQHRTL-MRXNPFEDSA-N 2 2 396.373 3.071 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000176283204 565761531 /nfs/dbraw/zinc/76/15/31/565761531.db2.gz BBRUHPDJCQHRTL-MRXNPFEDSA-N 2 2 396.373 3.071 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000176283204 565761535 /nfs/dbraw/zinc/76/15/35/565761535.db2.gz BBRUHPDJCQHRTL-MRXNPFEDSA-N 2 2 396.373 3.071 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000176283204 565761541 /nfs/dbraw/zinc/76/15/41/565761541.db2.gz BBRUHPDJCQHRTL-MRXNPFEDSA-N 2 2 396.373 3.071 20 0 GGADLP COc1cc(Cl)c(Cl)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000176664311 565792085 /nfs/dbraw/zinc/79/20/85/565792085.db2.gz BEOBTEQKKPULJH-UHFFFAOYSA-N 2 2 388.339 3.100 20 0 GGADLP COc1cc(Cl)c(Cl)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000176664311 565792086 /nfs/dbraw/zinc/79/20/86/565792086.db2.gz BEOBTEQKKPULJH-UHFFFAOYSA-N 2 2 388.339 3.100 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1Br ZINC000331998406 565798491 /nfs/dbraw/zinc/79/84/91/565798491.db2.gz XJQUOZXLHVNHJU-UHFFFAOYSA-N 2 2 377.286 3.299 20 0 GGADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000194218971 565802339 /nfs/dbraw/zinc/80/23/39/565802339.db2.gz INEBLHPQFMTONZ-ZDUSSCGKSA-N 2 2 387.355 3.380 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332113605 565807591 /nfs/dbraw/zinc/80/75/91/565807591.db2.gz HBBGENGAOWEUCC-STQMWFEESA-N 2 2 377.286 3.379 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332113605 565807598 /nfs/dbraw/zinc/80/75/98/565807598.db2.gz HBBGENGAOWEUCC-STQMWFEESA-N 2 2 377.286 3.379 20 0 GGADLP C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000177116926 565829946 /nfs/dbraw/zinc/82/99/46/565829946.db2.gz BHNSGXZXWFWWHQ-CQSZACIVSA-N 2 2 386.367 3.314 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(SC(F)(F)F)cc2)CC1 ZINC000177131963 565831041 /nfs/dbraw/zinc/83/10/41/565831041.db2.gz AWXVZSUGHQCYKH-UHFFFAOYSA-N 2 2 375.460 3.054 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000177151418 565832339 /nfs/dbraw/zinc/83/23/39/565832339.db2.gz KGQYWLPIPBFFNU-HZPDHXFCSA-N 2 2 384.351 3.239 20 0 GGADLP C[N@H+](CCO)Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1Cl ZINC000284082874 565841127 /nfs/dbraw/zinc/84/11/27/565841127.db2.gz PECPCGXYIBJTRB-UHFFFAOYSA-N 2 2 376.810 3.135 20 0 GGADLP C[N@@H+](CCO)Cc1cc(NCc2[nH+]ccn2CC(F)(F)F)ccc1Cl ZINC000284082874 565841132 /nfs/dbraw/zinc/84/11/32/565841132.db2.gz PECPCGXYIBJTRB-UHFFFAOYSA-N 2 2 376.810 3.135 20 0 GGADLP Brc1cccc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000177926812 565881833 /nfs/dbraw/zinc/88/18/33/565881833.db2.gz JKANRQZXPXCFFB-UHFFFAOYSA-N 2 2 390.325 3.477 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000178521102 565923321 /nfs/dbraw/zinc/92/33/21/565923321.db2.gz GBGYTQHFFOOFDJ-KRWDZBQOSA-N 2 2 383.330 3.099 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178521646 565924414 /nfs/dbraw/zinc/92/44/14/565924414.db2.gz XZXXYWQLAIYVEL-INIZCTEOSA-N 2 2 385.371 3.422 20 0 GGADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+]Cc2c[nH+]c3ccc(C)cn23)c1 ZINC000414494375 565943213 /nfs/dbraw/zinc/94/32/13/565943213.db2.gz KPCAMEOVYYCHER-UHFFFAOYSA-N 2 2 377.897 3.380 20 0 GGADLP Brc1ccc(OCc2ccccn2)c(C[NH2+]CCn2cc[nH+]c2)c1 ZINC000236733726 565943517 /nfs/dbraw/zinc/94/35/17/565943517.db2.gz XMEIEINIKIIORB-UHFFFAOYSA-N 2 2 387.281 3.409 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)[C@@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000237418738 565958854 /nfs/dbraw/zinc/95/88/54/565958854.db2.gz HMLQRFXMBFZRBZ-CXAGYDPISA-N 2 2 375.563 3.033 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)[C@@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000237418738 565958859 /nfs/dbraw/zinc/95/88/59/565958859.db2.gz HMLQRFXMBFZRBZ-CXAGYDPISA-N 2 2 375.563 3.033 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@H](C[NH3+])C2CC2)cc1Br ZINC000414813055 565962445 /nfs/dbraw/zinc/96/24/45/565962445.db2.gz YCXQLGQUNOLERL-CYBMUJFWSA-N 2 2 392.135 3.437 20 0 GGADLP CCOc1cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc(Br)c1OC(F)F ZINC000414867481 565963478 /nfs/dbraw/zinc/96/34/78/565963478.db2.gz OIRMYZLKCSFISK-LLVKDONJSA-N 2 2 379.245 3.291 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C2)cc1Br ZINC000414865539 565963684 /nfs/dbraw/zinc/96/36/84/565963684.db2.gz DCVRTKFYZFPPMP-JTQLQIEISA-N 2 2 378.108 3.062 20 0 GGADLP [NH3+][C@@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1)C1CC1 ZINC000414886141 565964113 /nfs/dbraw/zinc/96/41/13/565964113.db2.gz HEDYVKGINCFSCP-KRWDZBQOSA-N 2 2 376.298 3.250 20 0 GGADLP COC[C@]1(C[NH2+]Cc2cc(Br)cc(C)c2OC(F)F)CCC[NH2+]1 ZINC000414935485 565965660 /nfs/dbraw/zinc/96/56/60/565965660.db2.gz ATVPDDOTKNMCEE-MRXNPFEDSA-N 2 2 393.272 3.217 20 0 GGADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414895198 565965799 /nfs/dbraw/zinc/96/57/99/565965799.db2.gz MVTALRABTCUBTI-CYBMUJFWSA-N 2 2 392.135 3.437 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414960220 565966504 /nfs/dbraw/zinc/96/65/04/565966504.db2.gz XZMMBEXHGSTSDF-SKDRFNHKSA-N 2 2 392.135 3.450 20 0 GGADLP COC[C@]1(C[NH2+]Cc2ccc(Br)c(Br)c2)CCC[NH2+]1 ZINC000414946770 565966541 /nfs/dbraw/zinc/96/65/41/565966541.db2.gz SVVLKQWBCQDMAE-CQSZACIVSA-N 2 2 392.135 3.070 20 0 GGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cncc(Br)c2)cc1F ZINC000414950076 565966973 /nfs/dbraw/zinc/96/69/73/565966973.db2.gz FUEUUORRRWDLLV-WMLDXEAASA-N 2 2 382.252 3.358 20 0 GGADLP COC[C@]1(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCC[NH2+]1 ZINC000414956284 565967011 /nfs/dbraw/zinc/96/70/11/565967011.db2.gz OPTCIAUEGHGMSQ-CQSZACIVSA-N 2 2 397.235 3.206 20 0 GGADLP CCCOc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)C[NH3+] ZINC000414952640 565967501 /nfs/dbraw/zinc/96/75/01/565967501.db2.gz KUGSCIMWTBFOQD-VIFPVBQESA-N 2 2 380.124 3.437 20 0 GGADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H]([NH3+])CC ZINC000414982217 565967927 /nfs/dbraw/zinc/96/79/27/565967927.db2.gz RWQZDVXIYXCWDF-LLVKDONJSA-N 2 2 380.124 3.437 20 0 GGADLP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000179261881 565969166 /nfs/dbraw/zinc/96/91/66/565969166.db2.gz LJFWHSMGPHUDCQ-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000179261881 565969172 /nfs/dbraw/zinc/96/91/72/565969172.db2.gz LJFWHSMGPHUDCQ-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc(Br)c1OC(F)F ZINC000415040411 565970860 /nfs/dbraw/zinc/97/08/60/565970860.db2.gz OBQMREYSVXQEOJ-LBPRGKRZSA-N 2 2 379.245 3.289 20 0 GGADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000415109724 565973205 /nfs/dbraw/zinc/97/32/05/565973205.db2.gz ODWXWHULVMEVKD-WBVHZDCISA-N 2 2 389.284 3.446 20 0 GGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000415109722 565973329 /nfs/dbraw/zinc/97/33/29/565973329.db2.gz ODWXWHULVMEVKD-NVXWUHKLSA-N 2 2 389.284 3.446 20 0 GGADLP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000237897674 565974253 /nfs/dbraw/zinc/97/42/53/565974253.db2.gz OQKCPFVHZKCEOJ-HUUCEWRRSA-N 2 2 379.302 3.011 20 0 GGADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)nn1 ZINC000415123940 565974798 /nfs/dbraw/zinc/97/47/98/565974798.db2.gz JXUJAGWVRGRYKA-SNVBAGLBSA-N 2 2 390.738 3.051 20 0 GGADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)nn1 ZINC000415123940 565974800 /nfs/dbraw/zinc/97/48/00/565974800.db2.gz JXUJAGWVRGRYKA-SNVBAGLBSA-N 2 2 390.738 3.051 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130993 565976336 /nfs/dbraw/zinc/97/63/36/565976336.db2.gz RQJQDVUWNYUKOW-JQWIXIFHSA-N 2 2 393.272 3.476 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130993 565976340 /nfs/dbraw/zinc/97/63/40/565976340.db2.gz RQJQDVUWNYUKOW-JQWIXIFHSA-N 2 2 393.272 3.476 20 0 GGADLP C[C@H]1C[N@H+](Cc2cc(F)ccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704957 565982404 /nfs/dbraw/zinc/98/24/04/565982404.db2.gz WDDWDTYDZMJATJ-KSSFIOAISA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704957 565982409 /nfs/dbraw/zinc/98/24/09/565982409.db2.gz WDDWDTYDZMJATJ-KSSFIOAISA-N 2 2 384.337 3.046 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc(Br)c1 ZINC000362862357 565984895 /nfs/dbraw/zinc/98/48/95/565984895.db2.gz FHBZIULPIAYGGI-CYBMUJFWSA-N 2 2 377.286 3.380 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1cccc(Br)c1 ZINC000362862357 565984900 /nfs/dbraw/zinc/98/49/00/565984900.db2.gz FHBZIULPIAYGGI-CYBMUJFWSA-N 2 2 377.286 3.380 20 0 GGADLP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ncc(Br)s1 ZINC000179510812 565985618 /nfs/dbraw/zinc/98/56/18/565985618.db2.gz JZCGEOMPMIVCJI-NSHDSACASA-N 2 2 385.331 3.092 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000245468389 565991589 /nfs/dbraw/zinc/99/15/89/565991589.db2.gz ZYFROHGVIRMXMD-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000245468389 565991591 /nfs/dbraw/zinc/99/15/91/565991591.db2.gz ZYFROHGVIRMXMD-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000245468389 565991593 /nfs/dbraw/zinc/99/15/93/565991593.db2.gz ZYFROHGVIRMXMD-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)c(C)c2)C1 ZINC000245468389 565991595 /nfs/dbraw/zinc/99/15/95/565991595.db2.gz ZYFROHGVIRMXMD-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000245717688 566003468 /nfs/dbraw/zinc/00/34/68/566003468.db2.gz DAEVSUGSIHMCCP-GOEBONIOSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000245717688 566003475 /nfs/dbraw/zinc/00/34/75/566003475.db2.gz DAEVSUGSIHMCCP-GOEBONIOSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000245717688 566003480 /nfs/dbraw/zinc/00/34/80/566003480.db2.gz DAEVSUGSIHMCCP-GOEBONIOSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000245717688 566003485 /nfs/dbraw/zinc/00/34/85/566003485.db2.gz DAEVSUGSIHMCCP-GOEBONIOSA-N 2 2 381.314 3.136 20 0 GGADLP Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)o1 ZINC000363566288 566011521 /nfs/dbraw/zinc/01/15/21/566011521.db2.gz PLBLEZJDCMATAX-SNVBAGLBSA-N 2 2 378.230 3.195 20 0 GGADLP Brc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4[nH]cc[nH+]4)C3)o2)o1 ZINC000363566288 566011525 /nfs/dbraw/zinc/01/15/25/566011525.db2.gz PLBLEZJDCMATAX-SNVBAGLBSA-N 2 2 378.230 3.195 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254378 566023969 /nfs/dbraw/zinc/02/39/69/566023969.db2.gz XDBIEWWZALXNRJ-GJZGRUSLSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254378 566023973 /nfs/dbraw/zinc/02/39/73/566023973.db2.gz XDBIEWWZALXNRJ-GJZGRUSLSA-N 2 2 380.330 3.194 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180043737 566028198 /nfs/dbraw/zinc/02/81/98/566028198.db2.gz PZNVPMQIKXBMLV-HNNXBMFYSA-N 2 2 377.330 3.408 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180043737 566028204 /nfs/dbraw/zinc/02/82/04/566028204.db2.gz PZNVPMQIKXBMLV-HNNXBMFYSA-N 2 2 377.330 3.408 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180043737 566028208 /nfs/dbraw/zinc/02/82/08/566028208.db2.gz PZNVPMQIKXBMLV-HNNXBMFYSA-N 2 2 377.330 3.408 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000180043737 566028214 /nfs/dbraw/zinc/02/82/14/566028214.db2.gz PZNVPMQIKXBMLV-HNNXBMFYSA-N 2 2 377.330 3.408 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246523271 566032678 /nfs/dbraw/zinc/03/26/78/566032678.db2.gz IZFZKLFJELQXKM-WMLDXEAASA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246523271 566032681 /nfs/dbraw/zinc/03/26/81/566032681.db2.gz IZFZKLFJELQXKM-WMLDXEAASA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246523271 566032685 /nfs/dbraw/zinc/03/26/85/566032685.db2.gz IZFZKLFJELQXKM-WMLDXEAASA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246523271 566032690 /nfs/dbraw/zinc/03/26/90/566032690.db2.gz IZFZKLFJELQXKM-WMLDXEAASA-N 2 2 381.973 3.309 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000246877585 566043785 /nfs/dbraw/zinc/04/37/85/566043785.db2.gz DGELEYPZDBHLCI-IIDMSEBBSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000246877585 566043792 /nfs/dbraw/zinc/04/37/92/566043792.db2.gz DGELEYPZDBHLCI-IIDMSEBBSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C[N@@H+]1C1CC1 ZINC000247040033 566050372 /nfs/dbraw/zinc/05/03/72/566050372.db2.gz MRPNIIHSGMHGIH-BFYDXBDKSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C[N@H+]1C1CC1 ZINC000247040033 566050375 /nfs/dbraw/zinc/05/03/75/566050375.db2.gz MRPNIIHSGMHGIH-BFYDXBDKSA-N 2 2 378.358 3.490 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247352943 566059332 /nfs/dbraw/zinc/05/93/32/566059332.db2.gz HBMLLLCGPXWXJY-DYVFJYSZSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247352943 566059334 /nfs/dbraw/zinc/05/93/34/566059334.db2.gz HBMLLLCGPXWXJY-DYVFJYSZSA-N 2 2 391.313 3.476 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942445 566067744 /nfs/dbraw/zinc/06/77/44/566067744.db2.gz DCNGSSMRVOXHNZ-NWDGAFQWSA-N 2 2 381.274 3.008 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942445 566067748 /nfs/dbraw/zinc/06/77/48/566067748.db2.gz DCNGSSMRVOXHNZ-NWDGAFQWSA-N 2 2 381.274 3.008 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942445 566067751 /nfs/dbraw/zinc/06/77/51/566067751.db2.gz DCNGSSMRVOXHNZ-NWDGAFQWSA-N 2 2 381.274 3.008 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@H]21 ZINC000247942445 566067756 /nfs/dbraw/zinc/06/77/56/566067756.db2.gz DCNGSSMRVOXHNZ-NWDGAFQWSA-N 2 2 381.274 3.008 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247992098 566069011 /nfs/dbraw/zinc/06/90/11/566069011.db2.gz JMGMASHUUVJVBT-MAUKXSAKSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247992098 566069015 /nfs/dbraw/zinc/06/90/15/566069015.db2.gz JMGMASHUUVJVBT-MAUKXSAKSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247992098 566069019 /nfs/dbraw/zinc/06/90/19/566069019.db2.gz JMGMASHUUVJVBT-MAUKXSAKSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247992098 566069022 /nfs/dbraw/zinc/06/90/22/566069022.db2.gz JMGMASHUUVJVBT-MAUKXSAKSA-N 2 2 384.351 3.368 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000248142648 566073184 /nfs/dbraw/zinc/07/31/84/566073184.db2.gz PVXCJPOXXYDMBR-YOEHRIQHSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000248142648 566073188 /nfs/dbraw/zinc/07/31/88/566073188.db2.gz PVXCJPOXXYDMBR-YOEHRIQHSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Br ZINC000248142648 566073193 /nfs/dbraw/zinc/07/31/93/566073193.db2.gz PVXCJPOXXYDMBR-YOEHRIQHSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1Br ZINC000248142648 566073198 /nfs/dbraw/zinc/07/31/98/566073198.db2.gz PVXCJPOXXYDMBR-YOEHRIQHSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1Br ZINC000248142645 566073609 /nfs/dbraw/zinc/07/36/09/566073609.db2.gz PVXCJPOXXYDMBR-WMLDXEAASA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000248142645 566073612 /nfs/dbraw/zinc/07/36/12/566073612.db2.gz PVXCJPOXXYDMBR-WMLDXEAASA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Br ZINC000248142645 566073615 /nfs/dbraw/zinc/07/36/15/566073615.db2.gz PVXCJPOXXYDMBR-WMLDXEAASA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1Br ZINC000248142645 566073618 /nfs/dbraw/zinc/07/36/18/566073618.db2.gz PVXCJPOXXYDMBR-WMLDXEAASA-N 2 2 380.330 3.112 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000248181999 566073644 /nfs/dbraw/zinc/07/36/44/566073644.db2.gz WOFBTHHKDRBRQT-ZVZYQTTQSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000248181999 566073646 /nfs/dbraw/zinc/07/36/46/566073646.db2.gz WOFBTHHKDRBRQT-ZVZYQTTQSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000248181999 566073649 /nfs/dbraw/zinc/07/36/49/566073649.db2.gz WOFBTHHKDRBRQT-ZVZYQTTQSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Br)cc1 ZINC000248181999 566073652 /nfs/dbraw/zinc/07/36/52/566073652.db2.gz WOFBTHHKDRBRQT-ZVZYQTTQSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000180609749 566077204 /nfs/dbraw/zinc/07/72/04/566077204.db2.gz VSILQMZQMXTIPH-CJNGLKHVSA-N 2 2 392.297 3.500 20 0 GGADLP C[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000180609749 566077206 /nfs/dbraw/zinc/07/72/06/566077206.db2.gz VSILQMZQMXTIPH-CJNGLKHVSA-N 2 2 392.297 3.500 20 0 GGADLP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000248553680 566081159 /nfs/dbraw/zinc/08/11/59/566081159.db2.gz JQJBOKKKAUYJKB-CSMYWGQOSA-N 2 2 382.277 3.401 20 0 GGADLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000248553680 566081162 /nfs/dbraw/zinc/08/11/62/566081162.db2.gz JQJBOKKKAUYJKB-CSMYWGQOSA-N 2 2 382.277 3.401 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248831024 566090244 /nfs/dbraw/zinc/09/02/44/566090244.db2.gz MLRCWJFSGGGGBO-HDMKZQKVSA-N 2 2 377.330 3.144 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248831024 566090247 /nfs/dbraw/zinc/09/02/47/566090247.db2.gz MLRCWJFSGGGGBO-HDMKZQKVSA-N 2 2 377.330 3.144 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248831031 566090319 /nfs/dbraw/zinc/09/03/19/566090319.db2.gz MLRCWJFSGGGGBO-RKVPGOIHSA-N 2 2 377.330 3.144 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248831031 566090323 /nfs/dbraw/zinc/09/03/23/566090323.db2.gz MLRCWJFSGGGGBO-RKVPGOIHSA-N 2 2 377.330 3.144 20 0 GGADLP CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000181035146 566108492 /nfs/dbraw/zinc/10/84/92/566108492.db2.gz NZTMOBINRFUJAS-MRXNPFEDSA-N 2 2 375.376 3.352 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000365647772 566112173 /nfs/dbraw/zinc/11/21/73/566112173.db2.gz FOMGXNUAWINQBD-AWEZNQCLSA-N 2 2 391.313 3.391 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000365647772 566112179 /nfs/dbraw/zinc/11/21/79/566112179.db2.gz FOMGXNUAWINQBD-AWEZNQCLSA-N 2 2 391.313 3.391 20 0 GGADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000289221405 566112756 /nfs/dbraw/zinc/11/27/56/566112756.db2.gz JIVMRZGNKXWEDK-AWEZNQCLSA-N 2 2 379.551 3.252 20 0 GGADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000289221405 566112760 /nfs/dbraw/zinc/11/27/60/566112760.db2.gz JIVMRZGNKXWEDK-AWEZNQCLSA-N 2 2 379.551 3.252 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000365658069 566114100 /nfs/dbraw/zinc/11/41/00/566114100.db2.gz KCGPMJIINVEJQQ-CQSZACIVSA-N 2 2 391.313 3.391 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000365658069 566114103 /nfs/dbraw/zinc/11/41/03/566114103.db2.gz KCGPMJIINVEJQQ-CQSZACIVSA-N 2 2 391.313 3.391 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000252664125 566115826 /nfs/dbraw/zinc/11/58/26/566115826.db2.gz UVQJCYZROHYMLA-GUYCJALGSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000252664125 566115833 /nfs/dbraw/zinc/11/58/33/566115833.db2.gz UVQJCYZROHYMLA-GUYCJALGSA-N 2 2 391.313 3.476 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(Br)c1OC(F)F ZINC000261671669 566129156 /nfs/dbraw/zinc/12/91/56/566129156.db2.gz GHGPLYBCTDUZIE-OAHLLOKOSA-N 2 2 379.245 3.230 20 0 GGADLP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(Br)c1OC(F)F ZINC000261671669 566129161 /nfs/dbraw/zinc/12/91/61/566129161.db2.gz GHGPLYBCTDUZIE-OAHLLOKOSA-N 2 2 379.245 3.230 20 0 GGADLP Clc1cnc(OCC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c(Cl)c1 ZINC000181341555 566133400 /nfs/dbraw/zinc/13/34/00/566133400.db2.gz FJFWHYMAPCLKPO-UHFFFAOYSA-N 2 2 381.307 3.416 20 0 GGADLP C[NH2+]CCC1CC[NH+](Cc2c(F)ccc(I)c2F)CC1 ZINC000261803539 566135141 /nfs/dbraw/zinc/13/51/41/566135141.db2.gz HBSJLFPAVNIRJM-UHFFFAOYSA-N 2 2 394.247 3.391 20 0 GGADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000261826951 566136078 /nfs/dbraw/zinc/13/60/78/566136078.db2.gz BEVHLYISDWZCGI-UHFFFAOYSA-N 2 2 388.737 3.363 20 0 GGADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000261960184 566142230 /nfs/dbraw/zinc/14/22/30/566142230.db2.gz HDOOXDVBMZSCGQ-AWEZNQCLSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000261960184 566142234 /nfs/dbraw/zinc/14/22/34/566142234.db2.gz HDOOXDVBMZSCGQ-AWEZNQCLSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000262097177 566147249 /nfs/dbraw/zinc/14/72/49/566147249.db2.gz VIMJGISUPGFMGG-ZDUSSCGKSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000262097177 566147252 /nfs/dbraw/zinc/14/72/52/566147252.db2.gz VIMJGISUPGFMGG-ZDUSSCGKSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3Cl)C[C@H]21 ZINC000262108994 566147336 /nfs/dbraw/zinc/14/73/36/566147336.db2.gz JNWFMWXIKZRSCM-ZKYQVNSYSA-N 2 2 386.721 3.100 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3Cl)C[C@H]21 ZINC000262108994 566147337 /nfs/dbraw/zinc/14/73/37/566147337.db2.gz JNWFMWXIKZRSCM-ZKYQVNSYSA-N 2 2 386.721 3.100 20 0 GGADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000262097175 566147414 /nfs/dbraw/zinc/14/74/14/566147414.db2.gz VIMJGISUPGFMGG-CYBMUJFWSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000262097175 566147417 /nfs/dbraw/zinc/14/74/17/566147417.db2.gz VIMJGISUPGFMGG-CYBMUJFWSA-N 2 2 377.838 3.178 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000181589468 566149893 /nfs/dbraw/zinc/14/98/93/566149893.db2.gz MCCVKSHKMXFCSO-CABCVRRESA-N 2 2 392.345 3.244 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000181589500 566150389 /nfs/dbraw/zinc/15/03/89/566150389.db2.gz MCCVKSHKMXFCSO-HUUCEWRRSA-N 2 2 392.345 3.244 20 0 GGADLP [NH3+]Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)co1 ZINC000262805357 566161265 /nfs/dbraw/zinc/16/12/65/566161265.db2.gz SLWPADUXWMHGEX-UHFFFAOYSA-N 2 2 382.291 3.440 20 0 GGADLP Fc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(I)c1 ZINC000417790868 566175721 /nfs/dbraw/zinc/17/57/21/566175721.db2.gz WQOMHBGHNUIGCZ-HNNXBMFYSA-N 2 2 398.219 3.479 20 0 GGADLP Fc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(I)c1 ZINC000417790868 566175726 /nfs/dbraw/zinc/17/57/26/566175726.db2.gz WQOMHBGHNUIGCZ-HNNXBMFYSA-N 2 2 398.219 3.479 20 0 GGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417869070 566178487 /nfs/dbraw/zinc/17/84/87/566178487.db2.gz HAOUNFGVHWYYIZ-LBPRGKRZSA-N 2 2 376.257 3.252 20 0 GGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417869070 566178493 /nfs/dbraw/zinc/17/84/93/566178493.db2.gz HAOUNFGVHWYYIZ-LBPRGKRZSA-N 2 2 376.257 3.252 20 0 GGADLP Fc1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(I)c1 ZINC000417966141 566185046 /nfs/dbraw/zinc/18/50/46/566185046.db2.gz LQVYHJMKMGHZGP-UHFFFAOYSA-N 2 2 385.224 3.417 20 0 GGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccc(F)cc2I)CC1 ZINC000418015383 566189984 /nfs/dbraw/zinc/18/99/84/566189984.db2.gz DJEOQGLQRBTQIC-UHFFFAOYSA-N 2 2 388.268 3.491 20 0 GGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(F)cc2I)CC1 ZINC000418015383 566189989 /nfs/dbraw/zinc/18/99/89/566189989.db2.gz DJEOQGLQRBTQIC-UHFFFAOYSA-N 2 2 388.268 3.491 20 0 GGADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(Br)c1 ZINC000367242623 566193644 /nfs/dbraw/zinc/19/36/44/566193644.db2.gz BWVJDALXDVWCTN-IBGZPJMESA-N 2 2 390.325 3.132 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(F)cc1I ZINC000418073566 566195367 /nfs/dbraw/zinc/19/53/67/566195367.db2.gz WUSLRTFSMMSIPP-UHFFFAOYSA-N 2 2 387.240 3.457 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(F)cc1I ZINC000418073566 566195373 /nfs/dbraw/zinc/19/53/73/566195373.db2.gz WUSLRTFSMMSIPP-UHFFFAOYSA-N 2 2 387.240 3.457 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439108 566201319 /nfs/dbraw/zinc/20/13/19/566201319.db2.gz RNCNQRGIUFIOSK-CYBMUJFWSA-N 2 2 391.313 3.489 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc(Br)cc1F ZINC000264648208 566221163 /nfs/dbraw/zinc/22/11/63/566221163.db2.gz XKLPQBVHOABMPW-UHFFFAOYSA-N 2 2 381.249 3.060 20 0 GGADLP CN(CCCn1cc[nH+]c1)Cc1c(Br)cncc1Br ZINC000291507492 566222650 /nfs/dbraw/zinc/22/26/50/566222650.db2.gz HYZZWYMXKRBBHX-UHFFFAOYSA-N 2 2 388.107 3.325 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(Br)cncc1Br ZINC000291507492 566222655 /nfs/dbraw/zinc/22/26/55/566222655.db2.gz HYZZWYMXKRBBHX-UHFFFAOYSA-N 2 2 388.107 3.325 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(Br)cncc1Br ZINC000291507492 566222657 /nfs/dbraw/zinc/22/26/57/566222657.db2.gz HYZZWYMXKRBBHX-UHFFFAOYSA-N 2 2 388.107 3.325 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000419294072 566231986 /nfs/dbraw/zinc/23/19/86/566231986.db2.gz OEUJYIHPXSHLMW-CYBMUJFWSA-N 2 2 380.330 3.383 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000183011892 566235021 /nfs/dbraw/zinc/23/50/21/566235021.db2.gz TYIDJCIBSBNRQW-KGLIPLIRSA-N 2 2 378.929 3.184 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183011912 566235127 /nfs/dbraw/zinc/23/51/27/566235127.db2.gz TYIDJCIBSBNRQW-UONOGXRCSA-N 2 2 378.929 3.184 20 0 GGADLP CN(C)c1[nH+]cc(C[NH2+][C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)n1C ZINC000419726520 566242956 /nfs/dbraw/zinc/24/29/56/566242956.db2.gz KGRSPPIYBZWLRS-JOCQHMNTSA-N 2 2 381.293 3.424 20 0 GGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000419812414 566250665 /nfs/dbraw/zinc/25/06/65/566250665.db2.gz FCEBCNBIXKVFKR-UHFFFAOYSA-N 2 2 377.945 3.111 20 0 GGADLP CSc1cc(Br)ccc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000668793284 566267510 /nfs/dbraw/zinc/26/75/10/566267510.db2.gz VXHIKEZQJLDLAQ-UHFFFAOYSA-N 2 2 381.343 3.227 20 0 GGADLP COc1cc(Br)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000668820297 566268458 /nfs/dbraw/zinc/26/84/58/566268458.db2.gz TXTWAABGTPZNTI-AWEZNQCLSA-N 2 2 383.330 3.375 20 0 GGADLP COc1cc(Br)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000668820297 566268462 /nfs/dbraw/zinc/26/84/62/566268462.db2.gz TXTWAABGTPZNTI-AWEZNQCLSA-N 2 2 383.330 3.375 20 0 GGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)C1CCCCC1 ZINC000420365139 566273082 /nfs/dbraw/zinc/27/30/82/566273082.db2.gz RVHRBRCCEPUZHP-CQSZACIVSA-N 2 2 390.272 3.163 20 0 GGADLP C[C@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Br)cc1 ZINC000420358506 566273311 /nfs/dbraw/zinc/27/33/11/566273311.db2.gz JGQPFIFVSWHMCN-SUMWQHHRSA-N 2 2 382.346 3.124 20 0 GGADLP O=S(=O)(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1cc(Cl)ccc1Cl ZINC000420344314 566273383 /nfs/dbraw/zinc/27/33/83/566273383.db2.gz SSLYZTGKXIWGSB-MRXNPFEDSA-N 2 2 391.364 3.231 20 0 GGADLP C[C@H](NC(=O)C[NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Br)cc1 ZINC000420358505 566273473 /nfs/dbraw/zinc/27/34/73/566273473.db2.gz JGQPFIFVSWHMCN-GUYCJALGSA-N 2 2 382.346 3.124 20 0 GGADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000420356795 566273830 /nfs/dbraw/zinc/27/38/30/566273830.db2.gz GLUWRILNBRZRAN-LBPRGKRZSA-N 2 2 396.251 3.369 20 0 GGADLP [NH3+]C[C@H]([NH2+]CCS(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000420365868 566274226 /nfs/dbraw/zinc/27/42/26/566274226.db2.gz SWVJTSUPWOOUAC-HNNXBMFYSA-N 2 2 379.353 3.264 20 0 GGADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000420356794 566274454 /nfs/dbraw/zinc/27/44/54/566274454.db2.gz GLUWRILNBRZRAN-GFCCVEGCSA-N 2 2 396.251 3.369 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000482013403 566275812 /nfs/dbraw/zinc/27/58/12/566275812.db2.gz VFQCDRLCVUYDMH-DLBZAZTESA-N 2 2 381.973 3.409 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000482013403 566275815 /nfs/dbraw/zinc/27/58/15/566275815.db2.gz VFQCDRLCVUYDMH-DLBZAZTESA-N 2 2 381.973 3.409 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000482032297 566277642 /nfs/dbraw/zinc/27/76/42/566277642.db2.gz ONAKBDIXQRQLFM-QZTJIDSGSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000482032297 566277649 /nfs/dbraw/zinc/27/76/49/566277649.db2.gz ONAKBDIXQRQLFM-QZTJIDSGSA-N 2 2 396.373 3.433 20 0 GGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000482157686 566288739 /nfs/dbraw/zinc/28/87/39/566288739.db2.gz NBTVFZHLFUATFZ-CGTJXYLNSA-N 2 2 396.373 3.466 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000625215735 566291302 /nfs/dbraw/zinc/29/13/02/566291302.db2.gz IGUKTHAQNCSBBR-QGZVFWFLSA-N 2 2 389.297 3.236 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462384649 566293158 /nfs/dbraw/zinc/29/31/58/566293158.db2.gz PKVOGJQINGPGAD-BZNIZROVSA-N 2 2 375.822 3.371 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462384649 566293165 /nfs/dbraw/zinc/29/31/65/566293165.db2.gz PKVOGJQINGPGAD-BZNIZROVSA-N 2 2 375.822 3.371 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462384651 566293223 /nfs/dbraw/zinc/29/32/23/566293223.db2.gz PKVOGJQINGPGAD-ZBEGNZNMSA-N 2 2 375.822 3.371 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462384651 566293227 /nfs/dbraw/zinc/29/32/27/566293227.db2.gz PKVOGJQINGPGAD-ZBEGNZNMSA-N 2 2 375.822 3.371 20 0 GGADLP CN(Cc1cccc(Br)c1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648585995 566295816 /nfs/dbraw/zinc/29/58/16/566295816.db2.gz IXGVPFZNXJXBDS-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1cccc(Br)c1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648585995 566295820 /nfs/dbraw/zinc/29/58/20/566295820.db2.gz IXGVPFZNXJXBDS-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@H+](Cc1cccc(Br)c1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585995 566295826 /nfs/dbraw/zinc/29/58/26/566295826.db2.gz IXGVPFZNXJXBDS-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@@H+](Cc1cccc(Br)c1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585995 566295832 /nfs/dbraw/zinc/29/58/32/566295832.db2.gz IXGVPFZNXJXBDS-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000462420294 566300736 /nfs/dbraw/zinc/30/07/36/566300736.db2.gz USUCLGAJVVWDMD-PKOBYXMFSA-N 2 2 382.335 3.342 20 0 GGADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000462420294 566300739 /nfs/dbraw/zinc/30/07/39/566300739.db2.gz USUCLGAJVVWDMD-PKOBYXMFSA-N 2 2 382.335 3.342 20 0 GGADLP COC1CC[NH+](CCNc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000669654111 566316909 /nfs/dbraw/zinc/31/69/09/566316909.db2.gz FYTOOIIMRLEOOH-UHFFFAOYSA-N 2 2 382.277 3.081 20 0 GGADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(N)=O)cs2)cs1 ZINC000482616392 566321293 /nfs/dbraw/zinc/32/12/93/566321293.db2.gz AHBKUPGCPBOFNO-MLGOLLRUSA-N 2 2 378.567 3.170 20 0 GGADLP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(N)=O)cs2)cs1 ZINC000482616392 566321296 /nfs/dbraw/zinc/32/12/96/566321296.db2.gz AHBKUPGCPBOFNO-MLGOLLRUSA-N 2 2 378.567 3.170 20 0 GGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000576172270 566321934 /nfs/dbraw/zinc/32/19/34/566321934.db2.gz GNHFCZHTCZUQPV-INIZCTEOSA-N 2 2 383.330 3.144 20 0 GGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c(Br)c1 ZINC000576172270 566321940 /nfs/dbraw/zinc/32/19/40/566321940.db2.gz GNHFCZHTCZUQPV-INIZCTEOSA-N 2 2 383.330 3.144 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482633911 566322578 /nfs/dbraw/zinc/32/25/78/566322578.db2.gz XYUCZLNBEXWGKL-LSDHHAIUSA-N 2 2 386.323 3.137 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000482641868 566323022 /nfs/dbraw/zinc/32/30/22/566323022.db2.gz LDQOHHLLZASIAO-NEPJUHHUSA-N 2 2 376.353 3.362 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOc3c(Br)cccc3C2)CC1 ZINC000669693821 566323015 /nfs/dbraw/zinc/32/30/15/566323015.db2.gz QLRPDQMKNDXPLM-UHFFFAOYSA-N 2 2 396.373 3.060 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCOc3c(Br)cccc3C2)CC1 ZINC000669693821 566323021 /nfs/dbraw/zinc/32/30/21/566323021.db2.gz QLRPDQMKNDXPLM-UHFFFAOYSA-N 2 2 396.373 3.060 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000482641870 566323840 /nfs/dbraw/zinc/32/38/40/566323840.db2.gz LDQOHHLLZASIAO-RYUDHWBXSA-N 2 2 376.353 3.362 20 0 GGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452070 566325480 /nfs/dbraw/zinc/32/54/80/566325480.db2.gz OOWUTYMTCGMRRU-MJGOQNOKSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452070 566325483 /nfs/dbraw/zinc/32/54/83/566325483.db2.gz OOWUTYMTCGMRRU-MJGOQNOKSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452070 566325491 /nfs/dbraw/zinc/32/54/91/566325491.db2.gz OOWUTYMTCGMRRU-MJGOQNOKSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452070 566325497 /nfs/dbraw/zinc/32/54/97/566325497.db2.gz OOWUTYMTCGMRRU-MJGOQNOKSA-N 2 2 392.341 3.120 20 0 GGADLP CN(C(=O)Cc1cc(Cl)cc(Cl)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625502045 566330224 /nfs/dbraw/zinc/33/02/24/566330224.db2.gz MKWMUVBCPVPAHW-SFHVURJKSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1cc(Cl)cc(Cl)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625502045 566330234 /nfs/dbraw/zinc/33/02/34/566330234.db2.gz MKWMUVBCPVPAHW-SFHVURJKSA-N 2 2 384.351 3.163 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(C(F)(F)F)cs3)CC2)CC1 ZINC000420978137 566333155 /nfs/dbraw/zinc/33/31/55/566333155.db2.gz IXOKEUGUONCPRM-UHFFFAOYSA-N 2 2 376.492 3.154 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(C(F)(F)F)cs3)CC2)CC1 ZINC000420978137 566333159 /nfs/dbraw/zinc/33/31/59/566333159.db2.gz IXOKEUGUONCPRM-UHFFFAOYSA-N 2 2 376.492 3.154 20 0 GGADLP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1Br ZINC000482895264 566341094 /nfs/dbraw/zinc/34/10/94/566341094.db2.gz SOOOVYSVMPSVIQ-SFHVURJKSA-N 2 2 396.373 3.433 20 0 GGADLP COc1cc(Cl)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1Cl ZINC000556890257 566341845 /nfs/dbraw/zinc/34/18/45/566341845.db2.gz WZBHPZOIUFSMHW-UHFFFAOYSA-N 2 2 388.339 3.084 20 0 GGADLP COC(=O)c1ccc(C[NH2+]CCCNc2cccc[nH+]2)c(Br)c1 ZINC000576495418 566351968 /nfs/dbraw/zinc/35/19/68/566351968.db2.gz SVRYDGPHFQHXPY-UHFFFAOYSA-N 2 2 378.270 3.223 20 0 GGADLP Cn1cc(C[NH+]2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)cn1 ZINC000462826881 566356312 /nfs/dbraw/zinc/35/63/12/566356312.db2.gz GFADTMVVXSQMDV-UHFFFAOYSA-N 2 2 386.297 3.053 20 0 GGADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000649267958 566358414 /nfs/dbraw/zinc/35/84/14/566358414.db2.gz OBBNZKUZCRUGOF-ROUUACIJSA-N 2 2 394.288 3.172 20 0 GGADLP O[C@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000649267956 566358645 /nfs/dbraw/zinc/35/86/45/566358645.db2.gz OBBNZKUZCRUGOF-MSOLQXFVSA-N 2 2 394.288 3.172 20 0 GGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000649267959 566359989 /nfs/dbraw/zinc/35/99/89/566359989.db2.gz OBBNZKUZCRUGOF-ZWKOTPCHSA-N 2 2 394.288 3.172 20 0 GGADLP Fc1cc2[nH+]ccc(N3CC[NH+]([C@@H]4CCOC4)CC3)c2cc1Br ZINC000649304803 566361703 /nfs/dbraw/zinc/36/17/03/566361703.db2.gz XJBVUPVCNCCFGP-GFCCVEGCSA-N 2 2 380.261 3.047 20 0 GGADLP FC(F)(F)c1cc(Br)ccc1N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411984 566365089 /nfs/dbraw/zinc/36/50/89/566365089.db2.gz AYZOWOXDZZGNHQ-GFCCVEGCSA-N 2 2 392.263 3.199 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cccc(O)c3Br)CC2)CC1 ZINC000421372711 566368249 /nfs/dbraw/zinc/36/82/49/566368249.db2.gz LNPUYACZQPMEOD-UHFFFAOYSA-N 2 2 396.373 3.147 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cccc(O)c3Br)CC2)CC1 ZINC000421372711 566368256 /nfs/dbraw/zinc/36/82/56/566368256.db2.gz LNPUYACZQPMEOD-UHFFFAOYSA-N 2 2 396.373 3.147 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cccc(O)c3Br)CC2)CC1 ZINC000421372711 566368263 /nfs/dbraw/zinc/36/82/63/566368263.db2.gz LNPUYACZQPMEOD-UHFFFAOYSA-N 2 2 396.373 3.147 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(O)c3Br)CC2)CC1 ZINC000421372711 566368266 /nfs/dbraw/zinc/36/82/66/566368266.db2.gz LNPUYACZQPMEOD-UHFFFAOYSA-N 2 2 396.373 3.147 20 0 GGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446822890 566368585 /nfs/dbraw/zinc/36/85/85/566368585.db2.gz ZBIATQTUUPHBOI-PBHICJAKSA-N 2 2 386.765 3.389 20 0 GGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446822890 566368590 /nfs/dbraw/zinc/36/85/90/566368590.db2.gz ZBIATQTUUPHBOI-PBHICJAKSA-N 2 2 386.765 3.389 20 0 GGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000462956083 566370089 /nfs/dbraw/zinc/37/00/89/566370089.db2.gz YEJSDRASDRDIJV-YCPHGPKFSA-N 2 2 397.357 3.486 20 0 GGADLP C[C@H]([NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000462956083 566370093 /nfs/dbraw/zinc/37/00/93/566370093.db2.gz YEJSDRASDRDIJV-YCPHGPKFSA-N 2 2 397.357 3.486 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCCO1 ZINC000557339618 566378150 /nfs/dbraw/zinc/37/81/50/566378150.db2.gz XIIZFNXUCVFOLL-OAHLLOKOSA-N 2 2 376.913 3.266 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCCO1 ZINC000557339618 566378161 /nfs/dbraw/zinc/37/81/61/566378161.db2.gz XIIZFNXUCVFOLL-OAHLLOKOSA-N 2 2 376.913 3.266 20 0 GGADLP CCC[NH+]1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000447075646 566385053 /nfs/dbraw/zinc/38/50/53/566385053.db2.gz GSRYOLMFRIKSHP-UHFFFAOYSA-N 2 2 378.460 3.073 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000483480955 566385788 /nfs/dbraw/zinc/38/57/88/566385788.db2.gz YQVNOBZASFCINF-NVXWUHKLSA-N 2 2 384.351 3.068 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000483480955 566385792 /nfs/dbraw/zinc/38/57/92/566385792.db2.gz YQVNOBZASFCINF-NVXWUHKLSA-N 2 2 384.351 3.068 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000483480955 566385801 /nfs/dbraw/zinc/38/58/01/566385801.db2.gz YQVNOBZASFCINF-NVXWUHKLSA-N 2 2 384.351 3.068 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000483480955 566385811 /nfs/dbraw/zinc/38/58/11/566385811.db2.gz YQVNOBZASFCINF-NVXWUHKLSA-N 2 2 384.351 3.068 20 0 GGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000557426140 566386535 /nfs/dbraw/zinc/38/65/35/566386535.db2.gz FUQLKZXWECAVSM-CHWSQXEVSA-N 2 2 394.288 3.436 20 0 GGADLP CN(C(=O)CSc1ccc(Cl)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601472262 566407683 /nfs/dbraw/zinc/40/76/83/566407683.db2.gz GELCWUBPPIAXGB-KRWDZBQOSA-N 2 2 381.973 3.059 20 0 GGADLP CN(C(=O)CSc1ccc(Cl)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601472262 566407687 /nfs/dbraw/zinc/40/76/87/566407687.db2.gz GELCWUBPPIAXGB-KRWDZBQOSA-N 2 2 381.973 3.059 20 0 GGADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000577153616 566408820 /nfs/dbraw/zinc/40/88/20/566408820.db2.gz YZHQCIOJXBVFBE-YJBOKZPZSA-N 2 2 396.373 3.431 20 0 GGADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000577153616 566408826 /nfs/dbraw/zinc/40/88/26/566408826.db2.gz YZHQCIOJXBVFBE-YJBOKZPZSA-N 2 2 396.373 3.431 20 0 GGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000447530609 566414506 /nfs/dbraw/zinc/41/45/06/566414506.db2.gz OPVUZOUKRINDJG-SWLSCSKDSA-N 2 2 395.263 3.431 20 0 GGADLP FC(F)COCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510964987 566424924 /nfs/dbraw/zinc/42/49/24/566424924.db2.gz DJLLVNJGQHLIJY-UHFFFAOYSA-N 2 2 378.217 3.023 20 0 GGADLP FC(F)COCC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510964987 566424934 /nfs/dbraw/zinc/42/49/34/566424934.db2.gz DJLLVNJGQHLIJY-UHFFFAOYSA-N 2 2 378.217 3.023 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000537307583 566437317 /nfs/dbraw/zinc/43/73/17/566437317.db2.gz CCFRMKODIUELDU-AGRHKRQWSA-N 2 2 397.357 3.486 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(Br)c1 ZINC000537307584 566437828 /nfs/dbraw/zinc/43/78/28/566437828.db2.gz CCFRMKODIUELDU-BKTGTZMESA-N 2 2 397.357 3.486 20 0 GGADLP CN(C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000464061105 566444548 /nfs/dbraw/zinc/44/45/48/566444548.db2.gz ZHQWVUQARNJRDC-QZTJIDSGSA-N 2 2 394.357 3.139 20 0 GGADLP CN(C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000464061105 566444554 /nfs/dbraw/zinc/44/45/54/566444554.db2.gz ZHQWVUQARNJRDC-QZTJIDSGSA-N 2 2 394.357 3.139 20 0 GGADLP CN(C(=O)c1ccc(C(F)(F)F)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671720638 566446138 /nfs/dbraw/zinc/44/61/38/566446138.db2.gz RUQNQHNOFNSPSN-CYBMUJFWSA-N 2 2 375.460 3.007 20 0 GGADLP CN(C(=O)c1ccc(C(F)(F)F)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671720638 566446144 /nfs/dbraw/zinc/44/61/44/566446144.db2.gz RUQNQHNOFNSPSN-CYBMUJFWSA-N 2 2 375.460 3.007 20 0 GGADLP Cc1nn(C)c(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c1Br ZINC000447927532 566446498 /nfs/dbraw/zinc/44/64/98/566446498.db2.gz BIRYBPLEPJJSID-UHFFFAOYSA-N 2 2 388.313 3.068 20 0 GGADLP O=C(CC[NH2+]CCCNc1cccc[nH+]1)Nc1ccc(Br)cc1 ZINC000577622480 566452279 /nfs/dbraw/zinc/45/22/79/566452279.db2.gz BCTAXVGBTDQVAV-UHFFFAOYSA-N 2 2 377.286 3.265 20 0 GGADLP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000577646234 566453147 /nfs/dbraw/zinc/45/31/47/566453147.db2.gz IUOLQVYGLCDCFB-UHFFFAOYSA-N 2 2 388.339 3.147 20 0 GGADLP COc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1Br ZINC000577708892 566458201 /nfs/dbraw/zinc/45/82/01/566458201.db2.gz BTCZOCQIACPWIY-SNVBAGLBSA-N 2 2 378.108 3.062 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C[C@H]1C[NH3+] ZINC000422640242 566460895 /nfs/dbraw/zinc/46/08/95/566460895.db2.gz VEWVLYAKMKSYPZ-OUAUKWLOSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C[C@H]1C[NH3+] ZINC000422640242 566460897 /nfs/dbraw/zinc/46/08/97/566460897.db2.gz VEWVLYAKMKSYPZ-OUAUKWLOSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422738013 566462301 /nfs/dbraw/zinc/46/23/01/566462301.db2.gz YGGJCWRVHPNSLT-PBHICJAKSA-N 2 2 386.367 3.314 20 0 GGADLP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)C1C[NH2+]C1 ZINC000422789110 566462347 /nfs/dbraw/zinc/46/23/47/566462347.db2.gz AYHOUAKNMRWSIY-DJJJIMSYSA-N 2 2 378.925 3.030 20 0 GGADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000484908696 566463973 /nfs/dbraw/zinc/46/39/73/566463973.db2.gz RECASFDLAATMGO-ZJUUUORDSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000484908696 566463978 /nfs/dbraw/zinc/46/39/78/566463978.db2.gz RECASFDLAATMGO-ZJUUUORDSA-N 2 2 394.235 3.076 20 0 GGADLP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)c2ccccc21 ZINC000422933722 566466461 /nfs/dbraw/zinc/46/64/61/566466461.db2.gz IIOIMQSDEBLQIN-JKSUJKDBSA-N 2 2 375.266 3.455 20 0 GGADLP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423044799 566471113 /nfs/dbraw/zinc/47/11/13/566471113.db2.gz BBCRIIYYYMZQEX-LZQZEXGQSA-N 2 2 399.373 3.143 20 0 GGADLP CCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708555 566471227 /nfs/dbraw/zinc/47/12/27/566471227.db2.gz DKYPBHKUTQRMST-KSSFIOAISA-N 2 2 383.330 3.417 20 0 GGADLP CCOc1c(Br)cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708555 566471231 /nfs/dbraw/zinc/47/12/31/566471231.db2.gz DKYPBHKUTQRMST-KSSFIOAISA-N 2 2 383.330 3.417 20 0 GGADLP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423044800 566471722 /nfs/dbraw/zinc/47/17/22/566471722.db2.gz BBCRIIYYYMZQEX-MNEFBYGVSA-N 2 2 399.373 3.143 20 0 GGADLP Clc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(I)c1 ZINC000423087875 566474638 /nfs/dbraw/zinc/47/46/38/566474638.db2.gz OWAJMRLFNGOSEY-FUNVUKJBSA-N 2 2 376.669 3.317 20 0 GGADLP C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423092973 566474861 /nfs/dbraw/zinc/47/48/61/566474861.db2.gz FBRONCQQEKLYBS-QCZZGDTMSA-N 2 2 381.236 3.231 20 0 GGADLP C[C@H]([NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423092967 566475137 /nfs/dbraw/zinc/47/51/37/566475137.db2.gz FBRONCQQEKLYBS-CUOATXAZSA-N 2 2 381.236 3.231 20 0 GGADLP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423145363 566478820 /nfs/dbraw/zinc/47/88/20/566478820.db2.gz KKEZOWJEIVCFPX-KXBFYZLASA-N 2 2 380.941 3.052 20 0 GGADLP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423151297 566478891 /nfs/dbraw/zinc/47/88/91/566478891.db2.gz CKRQYOSCRBHPTD-TVQRCGJNSA-N 2 2 377.124 3.084 20 0 GGADLP CC[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)[C@@H]1CCC[NH2+]1 ZINC000423138903 566478952 /nfs/dbraw/zinc/47/89/52/566478952.db2.gz YOQJHNLPJJOFQD-XKQJLSEDSA-N 2 2 385.346 3.392 20 0 GGADLP CC[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)[C@@H]1CCC[NH2+]1 ZINC000423138902 566478958 /nfs/dbraw/zinc/47/89/58/566478958.db2.gz YOQJHNLPJJOFQD-JQFCIGGWSA-N 2 2 385.346 3.392 20 0 GGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423140963 566479037 /nfs/dbraw/zinc/47/90/37/566479037.db2.gz ZXABNESXVVUVKQ-TZMCWYRMSA-N 2 2 387.749 3.491 20 0 GGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423140959 566479196 /nfs/dbraw/zinc/47/91/96/566479196.db2.gz ZXABNESXVVUVKQ-GXTWGEPZSA-N 2 2 387.749 3.491 20 0 GGADLP Cc1cc(N2CCC[C@@H]([N@@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)ccc1Br ZINC000464491773 566480373 /nfs/dbraw/zinc/48/03/73/566480373.db2.gz ZXNSDSCYZPYHEW-CRAIPNDOSA-N 2 2 394.357 3.136 20 0 GGADLP Cc1cc(N2CCC[C@@H]([N@H+]3CC[C@H](C[NH+](C)C)C3)C2=O)ccc1Br ZINC000464491773 566480379 /nfs/dbraw/zinc/48/03/79/566480379.db2.gz ZXNSDSCYZPYHEW-CRAIPNDOSA-N 2 2 394.357 3.136 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423206351 566482152 /nfs/dbraw/zinc/48/21/52/566482152.db2.gz BVSOYIFPRWBYAA-KCQAQPDRSA-N 2 2 392.345 3.377 20 0 GGADLP Ic1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000578001299 566482658 /nfs/dbraw/zinc/48/26/58/566482658.db2.gz IRUSFEWXWHZPBM-MRXNPFEDSA-N 2 2 380.229 3.340 20 0 GGADLP Ic1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000578001299 566482665 /nfs/dbraw/zinc/48/26/65/566482665.db2.gz IRUSFEWXWHZPBM-MRXNPFEDSA-N 2 2 380.229 3.340 20 0 GGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000578017320 566484197 /nfs/dbraw/zinc/48/41/97/566484197.db2.gz YIWUZYXVBSEDJI-IAGOWNOFSA-N 2 2 383.323 3.359 20 0 GGADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000578017321 566485003 /nfs/dbraw/zinc/48/50/03/566485003.db2.gz YIWUZYXVBSEDJI-IRXDYDNUSA-N 2 2 383.323 3.359 20 0 GGADLP CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccc(Cl)cc2)c1 ZINC000423328758 566486198 /nfs/dbraw/zinc/48/61/98/566486198.db2.gz SGYLWDIAGMKGGQ-RBUKOAKNSA-N 2 2 378.925 3.160 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423374829 566486879 /nfs/dbraw/zinc/48/68/79/566486879.db2.gz TYOPXOZXRMXMEB-ZLENFMNRSA-N 2 2 399.283 3.048 20 0 GGADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccc(Cl)cc2)c1 ZINC000423328754 566486934 /nfs/dbraw/zinc/48/69/34/566486934.db2.gz SGYLWDIAGMKGGQ-MOPGFXCFSA-N 2 2 378.925 3.160 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000511790657 566488088 /nfs/dbraw/zinc/48/80/88/566488088.db2.gz IAYVUPPTJDTLGI-CQSZACIVSA-N 2 2 395.370 3.336 20 0 GGADLP C[NH+](C)Cc1cnc(CNc2ccc(Cl)c(C[NH+]3CCOCC3)c2)s1 ZINC000511776291 566488570 /nfs/dbraw/zinc/48/85/70/566488570.db2.gz UWNBWHPBXUFOIT-UHFFFAOYSA-N 2 2 380.945 3.302 20 0 GGADLP Brc1ccc(C[N@@H+](CCc2ccncc2)CCn2cc[nH+]c2)o1 ZINC000578101476 566491573 /nfs/dbraw/zinc/49/15/73/566491573.db2.gz JHSFOINWQMBUGR-UHFFFAOYSA-N 2 2 375.270 3.379 20 0 GGADLP Brc1ccc(C[N@H+](CCc2ccncc2)CCn2cc[nH+]c2)o1 ZINC000578101476 566491577 /nfs/dbraw/zinc/49/15/77/566491577.db2.gz JHSFOINWQMBUGR-UHFFFAOYSA-N 2 2 375.270 3.379 20 0 GGADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423544776 566492174 /nfs/dbraw/zinc/49/21/74/566492174.db2.gz CJYFYMLAJCCIKY-FZMZJTMJSA-N 2 2 381.236 3.497 20 0 GGADLP Fc1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCO2)c2cccc(Br)c2)c1 ZINC000423580192 566492435 /nfs/dbraw/zinc/49/24/35/566492435.db2.gz XILDFLIDHPUQHT-QZTJIDSGSA-N 2 2 379.273 3.256 20 0 GGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423529290 566492813 /nfs/dbraw/zinc/49/28/13/566492813.db2.gz XRFTWVYGTSRJGU-JKSUJKDBSA-N 2 2 376.957 3.334 20 0 GGADLP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554977 566497230 /nfs/dbraw/zinc/49/72/30/566497230.db2.gz NVQPEXRQHPDZIL-XJKSGUPXSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000672554977 566497238 /nfs/dbraw/zinc/49/72/38/566497238.db2.gz NVQPEXRQHPDZIL-XJKSGUPXSA-N 2 2 383.275 3.281 20 0 GGADLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000511977889 566501831 /nfs/dbraw/zinc/50/18/31/566501831.db2.gz JIWMGFFWZFMESO-JTQLQIEISA-N 2 2 375.464 3.431 20 0 GGADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2Cl)c2ccsc2)CC1 ZINC000651208571 566504443 /nfs/dbraw/zinc/50/44/43/566504443.db2.gz BDMJRLYJWWIFQL-GOSISDBHSA-N 2 2 377.941 3.049 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)s1 ZINC000512025086 566507028 /nfs/dbraw/zinc/50/70/28/566507028.db2.gz OLRYRUIFNMJEEI-OAHLLOKOSA-N 2 2 378.929 3.143 20 0 GGADLP C[NH+](C)CC[C@H]([NH2+]Cc1ncc(I)s1)C(C)(C)C ZINC000512050663 566508741 /nfs/dbraw/zinc/50/87/41/566508741.db2.gz DHGZSIPSZGOTRO-JTQLQIEISA-N 2 2 381.327 3.204 20 0 GGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cscc1Br ZINC000512053669 566508691 /nfs/dbraw/zinc/50/86/91/566508691.db2.gz SMQXTQMFXAZPNZ-WMZOPIPTSA-N 2 2 395.366 3.483 20 0 GGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cscc1Br ZINC000512053669 566508697 /nfs/dbraw/zinc/50/86/97/566508697.db2.gz SMQXTQMFXAZPNZ-WMZOPIPTSA-N 2 2 395.366 3.483 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512100261 566513949 /nfs/dbraw/zinc/51/39/49/566513949.db2.gz OZKLFQLRPKIVGH-RYUDHWBXSA-N 2 2 393.338 3.205 20 0 GGADLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512129860 566514879 /nfs/dbraw/zinc/51/48/79/566514879.db2.gz JZLBFBUWQYRSJU-AWEZNQCLSA-N 2 2 380.945 3.235 20 0 GGADLP Cc1cc(C)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000448976677 566516814 /nfs/dbraw/zinc/51/68/14/566516814.db2.gz OJFOJDBTNPXBQG-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP Cc1cc(C)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000448976677 566516820 /nfs/dbraw/zinc/51/68/20/566516820.db2.gz OJFOJDBTNPXBQG-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP C[N@@H+](Cc1cc2c(cc1Br)OCCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000538613684 566522934 /nfs/dbraw/zinc/52/29/34/566522934.db2.gz FOMSMNOLMSEMIV-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP C[N@H+](Cc1cc2c(cc1Br)OCCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000538613684 566522944 /nfs/dbraw/zinc/52/29/44/566522944.db2.gz FOMSMNOLMSEMIV-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP C[NH+](Cc1cc2c(cc1Br)OCCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000538613684 566522951 /nfs/dbraw/zinc/52/29/51/566522951.db2.gz FOMSMNOLMSEMIV-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP C[NH+](Cc1cc2c(cc1Br)OCCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000538613684 566522956 /nfs/dbraw/zinc/52/29/56/566522956.db2.gz FOMSMNOLMSEMIV-AWEZNQCLSA-N 2 2 383.330 3.384 20 0 GGADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000424341292 566528899 /nfs/dbraw/zinc/52/88/99/566528899.db2.gz ZWAAVOAYTHWVSN-CHWSQXEVSA-N 2 2 394.235 3.266 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449109231 566530131 /nfs/dbraw/zinc/53/01/31/566530131.db2.gz XLAHNDOWJXKFLW-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1ccc(I)cc1)CCC2 ZINC000449168333 566532941 /nfs/dbraw/zinc/53/29/41/566532941.db2.gz MAXDIDBRXYMYNK-AWEZNQCLSA-N 2 2 381.261 3.463 20 0 GGADLP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000538750205 566533117 /nfs/dbraw/zinc/53/31/17/566533117.db2.gz KTAFMOFZSKTFKV-HNNXBMFYSA-N 2 2 377.330 3.261 20 0 GGADLP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000538750205 566533120 /nfs/dbraw/zinc/53/31/20/566533120.db2.gz KTAFMOFZSKTFKV-HNNXBMFYSA-N 2 2 377.330 3.261 20 0 GGADLP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1c(F)cccc1Br ZINC000578574468 566535213 /nfs/dbraw/zinc/53/52/13/566535213.db2.gz MUHFXWPOYONPFQ-UHFFFAOYSA-N 2 2 382.277 3.213 20 0 GGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449190977 566535939 /nfs/dbraw/zinc/53/59/39/566535939.db2.gz RTOCUUYRMWFRNY-IRXDYDNUSA-N 2 2 385.321 3.446 20 0 GGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449221117 566537397 /nfs/dbraw/zinc/53/73/97/566537397.db2.gz FTERZNGNPVZSTO-CQSZACIVSA-N 2 2 378.314 3.198 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@H]21 ZINC000538798666 566537287 /nfs/dbraw/zinc/53/72/87/566537287.db2.gz SJSLXAWBYUTPQF-SUMWQHHRSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@H]21 ZINC000538798666 566537296 /nfs/dbraw/zinc/53/72/96/566537296.db2.gz SJSLXAWBYUTPQF-SUMWQHHRSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@H]21 ZINC000538798666 566537304 /nfs/dbraw/zinc/53/73/04/566537304.db2.gz SJSLXAWBYUTPQF-SUMWQHHRSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@H]21 ZINC000538798666 566537310 /nfs/dbraw/zinc/53/73/10/566537310.db2.gz SJSLXAWBYUTPQF-SUMWQHHRSA-N 2 2 380.323 3.490 20 0 GGADLP Cc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ncc1Br ZINC000628238361 566540662 /nfs/dbraw/zinc/54/06/62/566540662.db2.gz VRRIIZVHUIWTFC-UHFFFAOYSA-N 2 2 395.389 3.002 20 0 GGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000559312576 566540629 /nfs/dbraw/zinc/54/06/29/566540629.db2.gz XCCUSLLBRIXKOI-SFHVURJKSA-N 2 2 381.314 3.138 20 0 GGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000559312576 566540635 /nfs/dbraw/zinc/54/06/35/566540635.db2.gz XCCUSLLBRIXKOI-SFHVURJKSA-N 2 2 381.314 3.138 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000559312576 566540637 /nfs/dbraw/zinc/54/06/37/566540637.db2.gz XCCUSLLBRIXKOI-SFHVURJKSA-N 2 2 381.314 3.138 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000559312576 566540645 /nfs/dbraw/zinc/54/06/45/566540645.db2.gz XCCUSLLBRIXKOI-SFHVURJKSA-N 2 2 381.314 3.138 20 0 GGADLP CN(c1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603820467 566540970 /nfs/dbraw/zinc/54/09/70/566540970.db2.gz ZXSCIEKVCBAEFS-AWEZNQCLSA-N 2 2 376.854 3.359 20 0 GGADLP CN(c1ncc(C(F)(F)F)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603820467 566540981 /nfs/dbraw/zinc/54/09/81/566540981.db2.gz ZXSCIEKVCBAEFS-AWEZNQCLSA-N 2 2 376.854 3.359 20 0 GGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000512685611 566550505 /nfs/dbraw/zinc/55/05/05/566550505.db2.gz CVEYCGBVBFBNON-IRXDYDNUSA-N 2 2 380.374 3.440 20 0 GGADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673740964 566554303 /nfs/dbraw/zinc/55/43/03/566554303.db2.gz OHUASMOXSBXOOD-ZFWWWQNUSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673740964 566554306 /nfs/dbraw/zinc/55/43/06/566554306.db2.gz OHUASMOXSBXOOD-ZFWWWQNUSA-N 2 2 384.351 3.382 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449398916 566559276 /nfs/dbraw/zinc/55/92/76/566559276.db2.gz WYNJJIQVSQRZFA-SIWZUTFBSA-N 2 2 385.321 3.271 20 0 GGADLP OCCC[N@H+]1CCC[C@H]([NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449398916 566559281 /nfs/dbraw/zinc/55/92/81/566559281.db2.gz WYNJJIQVSQRZFA-SIWZUTFBSA-N 2 2 385.321 3.271 20 0 GGADLP C[N@@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)C1 ZINC000604379267 566563125 /nfs/dbraw/zinc/56/31/25/566563125.db2.gz IADJRIRQMCEVBW-OAHLLOKOSA-N 2 2 389.341 3.214 20 0 GGADLP C[N@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)C1 ZINC000604379267 566563128 /nfs/dbraw/zinc/56/31/28/566563128.db2.gz IADJRIRQMCEVBW-OAHLLOKOSA-N 2 2 389.341 3.214 20 0 GGADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000466334797 566567006 /nfs/dbraw/zinc/56/70/06/566567006.db2.gz NSHOWQXEHXIOMM-ZWKOTPCHSA-N 2 2 394.357 3.139 20 0 GGADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000466334794 566567087 /nfs/dbraw/zinc/56/70/87/566567087.db2.gz NSHOWQXEHXIOMM-MSOLQXFVSA-N 2 2 394.357 3.139 20 0 GGADLP COc1cc(I)c(Cl)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000466360146 566569624 /nfs/dbraw/zinc/56/96/24/566569624.db2.gz YOVZJBWYLIIRNP-UHFFFAOYSA-N 2 2 394.684 3.137 20 0 GGADLP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674062148 566575417 /nfs/dbraw/zinc/57/54/17/566575417.db2.gz HCTJVHJXXGDRFR-HNNXBMFYSA-N 2 2 376.298 3.298 20 0 GGADLP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)c[nH+]c12 ZINC000449553659 566575610 /nfs/dbraw/zinc/57/56/10/566575610.db2.gz MKZJJCZWTBXMHA-CKEIUWERSA-N 2 2 378.314 3.388 20 0 GGADLP Cc1cc(Br)cn2c(C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@@H]4C3)c[nH+]c12 ZINC000449553659 566575619 /nfs/dbraw/zinc/57/56/19/566575619.db2.gz MKZJJCZWTBXMHA-CKEIUWERSA-N 2 2 378.314 3.388 20 0 GGADLP Cc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc3[nH+]ccn32)cc1Br ZINC000449601819 566582223 /nfs/dbraw/zinc/58/22/23/566582223.db2.gz SIYWETUMMGJKJV-MRXNPFEDSA-N 2 2 388.309 3.346 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000539494214 566582847 /nfs/dbraw/zinc/58/28/47/566582847.db2.gz BTBKSLVEEKVHQI-IUODEOHRSA-N 2 2 394.313 3.186 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000539494214 566582858 /nfs/dbraw/zinc/58/28/58/566582858.db2.gz BTBKSLVEEKVHQI-IUODEOHRSA-N 2 2 394.313 3.186 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000579138827 566583841 /nfs/dbraw/zinc/58/38/41/566583841.db2.gz XOHIBCFWTAVGBU-ZDUSSCGKSA-N 2 2 377.286 3.001 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000579138827 566583847 /nfs/dbraw/zinc/58/38/47/566583847.db2.gz XOHIBCFWTAVGBU-ZDUSSCGKSA-N 2 2 377.286 3.001 20 0 GGADLP c1csc(N2CCC([NH2+]CC3([NH+]4CCSCC4)CCCCC3)CC2)n1 ZINC000513203613 566589178 /nfs/dbraw/zinc/58/91/78/566589178.db2.gz HAOMFHPALPJGCR-UHFFFAOYSA-N 2 2 380.627 3.453 20 0 GGADLP OC[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)Cc1ccc(F)c(Br)c1 ZINC000449685544 566592359 /nfs/dbraw/zinc/59/23/59/566592359.db2.gz SGTSYBWWBAHILN-CQSZACIVSA-N 2 2 392.272 3.177 20 0 GGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000579253312 566593005 /nfs/dbraw/zinc/59/30/05/566593005.db2.gz PEEIECQCGUHOLU-HNAYVOBHSA-N 2 2 390.325 3.132 20 0 GGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000579253312 566593011 /nfs/dbraw/zinc/59/30/11/566593011.db2.gz PEEIECQCGUHOLU-HNAYVOBHSA-N 2 2 390.325 3.132 20 0 GGADLP Cc1nn2c(C[N@@H+](C)C3CC[NH+](CCC(F)(F)F)CC3)c(C)nc2s1 ZINC000449785676 566600866 /nfs/dbraw/zinc/60/08/66/566600866.db2.gz IGCFDKAWUCYWMT-UHFFFAOYSA-N 2 2 375.464 3.256 20 0 GGADLP Cc1nn2c(C[N@H+](C)C3CC[NH+](CCC(F)(F)F)CC3)c(C)nc2s1 ZINC000449785676 566600874 /nfs/dbraw/zinc/60/08/74/566600874.db2.gz IGCFDKAWUCYWMT-UHFFFAOYSA-N 2 2 375.464 3.256 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345535 566603987 /nfs/dbraw/zinc/60/39/87/566603987.db2.gz DLGFVQKJOJZBLL-XJKCOSOUSA-N 2 2 386.323 3.150 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345535 566603991 /nfs/dbraw/zinc/60/39/91/566603991.db2.gz DLGFVQKJOJZBLL-XJKCOSOUSA-N 2 2 386.323 3.150 20 0 GGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H]1CC[NH3+] ZINC000652354075 566605367 /nfs/dbraw/zinc/60/53/67/566605367.db2.gz MNHDGVUBYUHUQU-FZMZJTMJSA-N 2 2 375.847 3.329 20 0 GGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H]1CC[NH3+] ZINC000652354075 566605374 /nfs/dbraw/zinc/60/53/74/566605374.db2.gz MNHDGVUBYUHUQU-FZMZJTMJSA-N 2 2 375.847 3.329 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000652361138 566605790 /nfs/dbraw/zinc/60/57/90/566605790.db2.gz YTBZUDVBHBFMRE-KBRIMQKVSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000652361138 566605796 /nfs/dbraw/zinc/60/57/96/566605796.db2.gz YTBZUDVBHBFMRE-KBRIMQKVSA-N 2 2 386.323 3.293 20 0 GGADLP C[N@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C1CC[NH+](CCO)CC1 ZINC000513525716 566607296 /nfs/dbraw/zinc/60/72/96/566607296.db2.gz QGAMFKUPJYCWQE-UHFFFAOYSA-N 2 2 395.263 3.356 20 0 GGADLP C[N@@H+](Cc1cc(Br)cc(C(F)(F)F)c1)C1CC[NH+](CCO)CC1 ZINC000513525716 566607299 /nfs/dbraw/zinc/60/72/99/566607299.db2.gz QGAMFKUPJYCWQE-UHFFFAOYSA-N 2 2 395.263 3.356 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000560254982 566611485 /nfs/dbraw/zinc/61/14/85/566611485.db2.gz CMQNPULVRUVSBV-AWEZNQCLSA-N 2 2 383.330 3.446 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(Br)c1 ZINC000560254982 566611488 /nfs/dbraw/zinc/61/14/88/566611488.db2.gz CMQNPULVRUVSBV-AWEZNQCLSA-N 2 2 383.330 3.446 20 0 GGADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000579608843 566624466 /nfs/dbraw/zinc/62/44/66/566624466.db2.gz DWLIPCONWJNJGU-UWVGGRQHSA-N 2 2 394.235 3.218 20 0 GGADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000579608843 566624475 /nfs/dbraw/zinc/62/44/75/566624475.db2.gz DWLIPCONWJNJGU-UWVGGRQHSA-N 2 2 394.235 3.218 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000540342846 566646886 /nfs/dbraw/zinc/64/68/86/566646886.db2.gz HZCJCESKHSBWOE-VXGBXAGGSA-N 2 2 376.303 3.336 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000540342845 566647217 /nfs/dbraw/zinc/64/72/17/566647217.db2.gz HZCJCESKHSBWOE-RYUDHWBXSA-N 2 2 376.303 3.336 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2cc(F)c(Cl)cc2Cl)CC1 ZINC000540342842 566647612 /nfs/dbraw/zinc/64/76/12/566647612.db2.gz HZCJCESKHSBWOE-NEPJUHHUSA-N 2 2 376.303 3.336 20 0 GGADLP Cc1sc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc1-c1ccc(Br)cc1 ZINC000653058340 566648356 /nfs/dbraw/zinc/64/83/56/566648356.db2.gz OXGDXASZPZYFQK-CYBMUJFWSA-N 2 2 397.342 3.099 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000653075696 566649700 /nfs/dbraw/zinc/64/97/00/566649700.db2.gz XOPDGUQQSITHQZ-QZTJIDSGSA-N 2 2 380.319 3.478 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000653084670 566650015 /nfs/dbraw/zinc/65/00/15/566650015.db2.gz NWIRVRGFBQGWIU-QGZVFWFLSA-N 2 2 396.373 3.090 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC000653098531 566651056 /nfs/dbraw/zinc/65/10/56/566651056.db2.gz PUTFZLNMFRCKNO-MRXNPFEDSA-N 2 2 382.346 3.004 20 0 GGADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C ZINC000653087806 566651204 /nfs/dbraw/zinc/65/12/04/566651204.db2.gz GWEMXZDVHWSJML-IAQYHMDHSA-N 2 2 380.945 3.228 20 0 GGADLP CCC1(CC)CN(C(=O)[C@@H]([NH3+])CC[NH+](C)C)c2ccc(Br)cc21 ZINC000653104627 566651622 /nfs/dbraw/zinc/65/16/22/566651622.db2.gz NEUIATNXKYJZOI-HNNXBMFYSA-N 2 2 382.346 3.133 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3c(Cl)cccc3Cl)CC2)C1 ZINC000579934789 566652256 /nfs/dbraw/zinc/65/22/56/566652256.db2.gz VGDBIYKZMVPJHZ-CZUORRHYSA-N 2 2 386.323 3.150 20 0 GGADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3c(Cl)cccc3Cl)CC2)C1 ZINC000579934787 566652291 /nfs/dbraw/zinc/65/22/91/566652291.db2.gz VGDBIYKZMVPJHZ-BBRMVZONSA-N 2 2 386.323 3.150 20 0 GGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000467753561 566660600 /nfs/dbraw/zinc/66/06/00/566660600.db2.gz QMDUOUQDOKEKAA-PKOBYXMFSA-N 2 2 395.316 3.384 20 0 GGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000467753558 566661346 /nfs/dbraw/zinc/66/13/46/566661346.db2.gz QMDUOUQDOKEKAA-IEBWSBKVSA-N 2 2 395.316 3.384 20 0 GGADLP O=C(NCCC1CC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000653272599 566662965 /nfs/dbraw/zinc/66/29/65/566662965.db2.gz VQQFCDCUBUCDEC-GOSISDBHSA-N 2 2 394.357 3.092 20 0 GGADLP Cc1[nH+]cc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)n1C ZINC000580096087 566664853 /nfs/dbraw/zinc/66/48/53/566664853.db2.gz SCETZHSXTWIZFW-UHFFFAOYSA-N 2 2 378.314 3.329 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629562043 566666156 /nfs/dbraw/zinc/66/61/56/566666156.db2.gz LGVFHSILRMMZKS-AAEUAGOBSA-N 2 2 381.236 3.417 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629562043 566666159 /nfs/dbraw/zinc/66/61/59/566666159.db2.gz LGVFHSILRMMZKS-AAEUAGOBSA-N 2 2 381.236 3.417 20 0 GGADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000675886883 566668297 /nfs/dbraw/zinc/66/82/97/566668297.db2.gz WMQBTQQXVCZUTR-UONOGXRCSA-N 2 2 390.330 3.190 20 0 GGADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000675886876 566669056 /nfs/dbraw/zinc/66/90/56/566669056.db2.gz WMQBTQQXVCZUTR-KBPBESRZSA-N 2 2 390.330 3.190 20 0 GGADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000514807052 566672100 /nfs/dbraw/zinc/67/21/00/566672100.db2.gz SUQMZMLGXQAAMW-ZFWWWQNUSA-N 2 2 376.298 3.297 20 0 GGADLP O[C@H]1CCCC[C@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000580198020 566672505 /nfs/dbraw/zinc/67/25/05/566672505.db2.gz OBMMKGMXPJOJHH-HOCLYGCPSA-N 2 2 382.302 3.292 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Br ZINC000629656392 566676680 /nfs/dbraw/zinc/67/66/80/566676680.db2.gz OCHBXCBFJZQCPV-VXGBXAGGSA-N 2 2 381.236 3.417 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Br ZINC000629656392 566676688 /nfs/dbraw/zinc/67/66/88/566676688.db2.gz OCHBXCBFJZQCPV-VXGBXAGGSA-N 2 2 381.236 3.417 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000629656391 566677419 /nfs/dbraw/zinc/67/74/19/566677419.db2.gz OCHBXCBFJZQCPV-RYUDHWBXSA-N 2 2 381.236 3.417 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000629656391 566677424 /nfs/dbraw/zinc/67/74/24/566677424.db2.gz OCHBXCBFJZQCPV-RYUDHWBXSA-N 2 2 381.236 3.417 20 0 GGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000653617043 566680999 /nfs/dbraw/zinc/68/09/99/566680999.db2.gz UBAGMKOWXDMTJM-ZIAGYGMSSA-N 2 2 383.252 3.345 20 0 GGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000653617043 566681008 /nfs/dbraw/zinc/68/10/08/566681008.db2.gz UBAGMKOWXDMTJM-ZIAGYGMSSA-N 2 2 383.252 3.345 20 0 GGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000450530764 566681926 /nfs/dbraw/zinc/68/19/26/566681926.db2.gz QMQAYELJMRWBLO-CHWSQXEVSA-N 2 2 394.288 3.436 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(Br)c2C)CC1 ZINC000515074226 566689671 /nfs/dbraw/zinc/68/96/71/566689671.db2.gz VXXYSBPTBMHKID-UHFFFAOYSA-N 2 2 383.330 3.265 20 0 GGADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000515070955 566689992 /nfs/dbraw/zinc/68/99/92/566689992.db2.gz ALKVEEQUWJYVLK-HDMKZQKVSA-N 2 2 379.291 3.324 20 0 GGADLP O[C@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000608014254 566690526 /nfs/dbraw/zinc/69/05/26/566690526.db2.gz WWJYEEMCYHSCFJ-SJORKVTESA-N 2 2 376.298 3.033 20 0 GGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450637462 566693044 /nfs/dbraw/zinc/69/30/44/566693044.db2.gz AOWWRSWZFDBHMD-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450637462 566693051 /nfs/dbraw/zinc/69/30/51/566693051.db2.gz AOWWRSWZFDBHMD-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccccc1Cl ZINC000487946465 566697386 /nfs/dbraw/zinc/69/73/86/566697386.db2.gz MERPSHUIPOICKV-OAHLLOKOSA-N 2 2 377.941 3.397 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1 ZINC000676478247 566697943 /nfs/dbraw/zinc/69/79/43/566697943.db2.gz RUKJMNVJKVZZSO-MRXNPFEDSA-N 2 2 377.286 3.311 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1 ZINC000676478247 566697955 /nfs/dbraw/zinc/69/79/55/566697955.db2.gz RUKJMNVJKVZZSO-MRXNPFEDSA-N 2 2 377.286 3.311 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676478809 566698551 /nfs/dbraw/zinc/69/85/51/566698551.db2.gz PFXGKMHXSUTNOQ-KGLIPLIRSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676478809 566698557 /nfs/dbraw/zinc/69/85/57/566698557.db2.gz PFXGKMHXSUTNOQ-KGLIPLIRSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676478807 566698829 /nfs/dbraw/zinc/69/88/29/566698829.db2.gz PFXGKMHXSUTNOQ-KBPBESRZSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676478807 566698832 /nfs/dbraw/zinc/69/88/32/566698832.db2.gz PFXGKMHXSUTNOQ-KBPBESRZSA-N 2 2 377.286 3.310 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccccc1Br ZINC000676477661 566699221 /nfs/dbraw/zinc/69/92/21/566699221.db2.gz JTMORPTWMJCJJS-AWEZNQCLSA-N 2 2 377.286 3.311 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccccc1Br ZINC000676477661 566699228 /nfs/dbraw/zinc/69/92/28/566699228.db2.gz JTMORPTWMJCJJS-AWEZNQCLSA-N 2 2 377.286 3.311 20 0 GGADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C1 ZINC000580541958 566702734 /nfs/dbraw/zinc/70/27/34/566702734.db2.gz MAMCXEUCXFYNAH-PBHICJAKSA-N 2 2 386.323 3.150 20 0 GGADLP CCC[NH2+]CC[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000580536448 566702758 /nfs/dbraw/zinc/70/27/58/566702758.db2.gz AMNAPKGXJMLVSQ-UHFFFAOYSA-N 2 2 380.124 3.309 20 0 GGADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C1 ZINC000580541961 566703018 /nfs/dbraw/zinc/70/30/18/566703018.db2.gz MAMCXEUCXFYNAH-YOEHRIQHSA-N 2 2 386.323 3.150 20 0 GGADLP CCCOc1ccc(Br)cc1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000580570054 566705956 /nfs/dbraw/zinc/70/59/56/566705956.db2.gz NOISYOCDXQDIDA-UHFFFAOYSA-N 2 2 385.346 3.174 20 0 GGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C(C)(C)C ZINC000580604551 566707446 /nfs/dbraw/zinc/70/74/46/566707446.db2.gz WXJFFOGHGVKXHZ-QGZVFWFLSA-N 2 2 394.361 3.486 20 0 GGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505156 566717205 /nfs/dbraw/zinc/71/72/05/566717205.db2.gz MAYZXVGAQMZHFW-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505156 566717212 /nfs/dbraw/zinc/71/72/12/566717212.db2.gz MAYZXVGAQMZHFW-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505156 566717220 /nfs/dbraw/zinc/71/72/20/566717220.db2.gz MAYZXVGAQMZHFW-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505156 566717228 /nfs/dbraw/zinc/71/72/28/566717228.db2.gz MAYZXVGAQMZHFW-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP CC[NH+](CC)CCSCC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC000580707769 566717221 /nfs/dbraw/zinc/71/72/21/566717221.db2.gz SNRVAAGLZPJEPR-UHFFFAOYSA-N 2 2 380.945 3.217 20 0 GGADLP C[NH+](C)CC1(C[NH2+]Cc2cn(-c3ccccc3Br)nn2)CCCC1 ZINC000580863362 566729791 /nfs/dbraw/zinc/72/97/91/566729791.db2.gz OXDOCIKYKNOFGS-UHFFFAOYSA-N 2 2 392.345 3.241 20 0 GGADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000541704041 566742610 /nfs/dbraw/zinc/74/26/10/566742610.db2.gz VZNXFANVEZBQBC-CQSZACIVSA-N 2 2 377.941 3.493 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561959871 566752546 /nfs/dbraw/zinc/75/25/46/566752546.db2.gz HTOIBQGVFUKSQW-NVXWUHKLSA-N 2 2 378.563 3.152 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561959871 566752552 /nfs/dbraw/zinc/75/25/52/566752552.db2.gz HTOIBQGVFUKSQW-NVXWUHKLSA-N 2 2 378.563 3.152 20 0 GGADLP C[N@H+](C[C@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000562040378 566759033 /nfs/dbraw/zinc/75/90/33/566759033.db2.gz KIQSTJDIUIBWOV-INIZCTEOSA-N 2 2 387.351 3.430 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000562040378 566759038 /nfs/dbraw/zinc/75/90/38/566759038.db2.gz KIQSTJDIUIBWOV-INIZCTEOSA-N 2 2 387.351 3.430 20 0 GGADLP CN(Cc1cc(F)ccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677801373 566764006 /nfs/dbraw/zinc/76/40/06/566764006.db2.gz LSROYIVCBSZICF-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1cc(F)ccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677801373 566764012 /nfs/dbraw/zinc/76/40/12/566764012.db2.gz LSROYIVCBSZICF-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1ccc(F)cc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677801389 566764262 /nfs/dbraw/zinc/76/42/62/566764262.db2.gz NCKGSJMJDUBPOG-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1ccc(F)cc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677801389 566764268 /nfs/dbraw/zinc/76/42/68/566764268.db2.gz NCKGSJMJDUBPOG-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)C3CC[NH+](C(C)C)CC3)[nH+]c12 ZINC000562124541 566765335 /nfs/dbraw/zinc/76/53/35/566765335.db2.gz JIMJACPSHBYSQJ-UHFFFAOYSA-N 2 2 393.329 3.142 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427317061 566765819 /nfs/dbraw/zinc/76/58/19/566765819.db2.gz UABQMIGDNPLBMW-YJBOKZPZSA-N 2 2 394.357 3.044 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427317058 566766504 /nfs/dbraw/zinc/76/65/04/566766504.db2.gz UABQMIGDNPLBMW-CRAIPNDOSA-N 2 2 394.357 3.044 20 0 GGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000581436967 566777936 /nfs/dbraw/zinc/77/79/36/566777936.db2.gz PNGXTZMXQWFRDW-RTBURBONSA-N 2 2 392.341 3.030 20 0 GGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000581436967 566777943 /nfs/dbraw/zinc/77/79/43/566777943.db2.gz PNGXTZMXQWFRDW-RTBURBONSA-N 2 2 392.341 3.030 20 0 GGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000581436964 566778603 /nfs/dbraw/zinc/77/86/03/566778603.db2.gz PNGXTZMXQWFRDW-MOPGFXCFSA-N 2 2 392.341 3.030 20 0 GGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000581436964 566778610 /nfs/dbraw/zinc/77/86/10/566778610.db2.gz PNGXTZMXQWFRDW-MOPGFXCFSA-N 2 2 392.341 3.030 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678079717 566780316 /nfs/dbraw/zinc/78/03/16/566780316.db2.gz AOULZSZLODITGE-ROUUACIJSA-N 2 2 394.357 3.314 20 0 GGADLP Brc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2c1OCCO2 ZINC000678190651 566787642 /nfs/dbraw/zinc/78/76/42/566787642.db2.gz QKRRQEBQNFPPCS-CYBMUJFWSA-N 2 2 378.270 3.323 20 0 GGADLP Brc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc2c1OCCO2 ZINC000678190651 566787645 /nfs/dbraw/zinc/78/76/45/566787645.db2.gz QKRRQEBQNFPPCS-CYBMUJFWSA-N 2 2 378.270 3.323 20 0 GGADLP CN(C(=O)c1cc(Cl)cc(Cl)c1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000631246941 566794207 /nfs/dbraw/zinc/79/42/07/566794207.db2.gz MQMQGDCXLWMINL-CQSZACIVSA-N 2 2 388.314 3.373 20 0 GGADLP CN(C(=O)c1cc(Cl)cc(Cl)c1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000631246941 566794212 /nfs/dbraw/zinc/79/42/12/566794212.db2.gz MQMQGDCXLWMINL-CQSZACIVSA-N 2 2 388.314 3.373 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@H]3C[NH+]3CCCC3)c[nH+]c12 ZINC000542467480 566803883 /nfs/dbraw/zinc/80/38/83/566803883.db2.gz VZGQUXGGDSCJBF-INIZCTEOSA-N 2 2 377.330 3.465 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469745351 566810937 /nfs/dbraw/zinc/81/09/37/566810937.db2.gz PWMREONOAHNUHC-CXAGYDPISA-N 2 2 390.281 3.324 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469745351 566810942 /nfs/dbraw/zinc/81/09/42/566810942.db2.gz PWMREONOAHNUHC-CXAGYDPISA-N 2 2 390.281 3.324 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489802062 566811715 /nfs/dbraw/zinc/81/17/15/566811715.db2.gz QHSARGQFKDBGBA-VKJFTORMSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489802062 566811720 /nfs/dbraw/zinc/81/17/20/566811720.db2.gz QHSARGQFKDBGBA-VKJFTORMSA-N 2 2 377.330 3.287 20 0 GGADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccc(Cl)s1 ZINC000542557416 566811961 /nfs/dbraw/zinc/81/19/61/566811961.db2.gz VQBYUEAJHZTCDY-OAHLLOKOSA-N 2 2 381.929 3.380 20 0 GGADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2ccco2)CC1)c1ccc(Cl)s1 ZINC000542557415 566812134 /nfs/dbraw/zinc/81/21/34/566812134.db2.gz VQBYUEAJHZTCDY-HNNXBMFYSA-N 2 2 381.929 3.380 20 0 GGADLP CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000469774428 566812412 /nfs/dbraw/zinc/81/24/12/566812412.db2.gz FXYXQKMKFICJDW-QZTJIDSGSA-N 2 2 381.611 3.046 20 0 GGADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Br)cc3F)CC2)CC1 ZINC000542594389 566813449 /nfs/dbraw/zinc/81/34/49/566813449.db2.gz CNAMZSAWRGGSGQ-UHFFFAOYSA-N 2 2 398.364 3.438 20 0 GGADLP C[NH+](C)[C@]1(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CCSC1 ZINC000581938867 566814887 /nfs/dbraw/zinc/81/48/87/566814887.db2.gz YHGPCRHLFGKZBA-INIZCTEOSA-N 2 2 375.460 3.061 20 0 GGADLP C[NH+](C)[C@@]1(C[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)CCSC1 ZINC000581938868 566816489 /nfs/dbraw/zinc/81/64/89/566816489.db2.gz YHGPCRHLFGKZBA-MRXNPFEDSA-N 2 2 375.460 3.061 20 0 GGADLP [NH3+]CCCOC1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000469856777 566820533 /nfs/dbraw/zinc/82/05/33/566820533.db2.gz PTGFRSOEFUBKAW-UHFFFAOYSA-N 2 2 393.272 3.380 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469851270 566820550 /nfs/dbraw/zinc/82/05/50/566820550.db2.gz YJCDCRFNSKDWBH-ONGXEEELSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469851270 566820555 /nfs/dbraw/zinc/82/05/55/566820555.db2.gz YJCDCRFNSKDWBH-ONGXEEELSA-N 2 2 379.245 3.228 20 0 GGADLP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490039471 566825696 /nfs/dbraw/zinc/82/56/96/566825696.db2.gz MMUCCCRFDDWKHY-GOSISDBHSA-N 2 2 375.314 3.210 20 0 GGADLP Brc1ccc(-n2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490039471 566825703 /nfs/dbraw/zinc/82/57/03/566825703.db2.gz MMUCCCRFDDWKHY-GOSISDBHSA-N 2 2 375.314 3.210 20 0 GGADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)C1 ZINC000562839569 566826861 /nfs/dbraw/zinc/82/68/61/566826861.db2.gz RXUMOEVPRZAEFH-CJNGLKHVSA-N 2 2 386.323 3.150 20 0 GGADLP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000582062664 566826885 /nfs/dbraw/zinc/82/68/85/566826885.db2.gz UBHSQHWRRVRNLQ-NWDGAFQWSA-N 2 2 379.220 3.389 20 0 GGADLP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000582062664 566826890 /nfs/dbraw/zinc/82/68/90/566826890.db2.gz UBHSQHWRRVRNLQ-NWDGAFQWSA-N 2 2 379.220 3.389 20 0 GGADLP C[NH+]1CCN([C@H](C[NH2+]Cc2nc3c(s2)CCCC3)c2cccs2)CC1 ZINC000678945723 566827096 /nfs/dbraw/zinc/82/70/96/566827096.db2.gz FDYNOQKWEZOMGL-MRXNPFEDSA-N 2 2 376.595 3.162 20 0 GGADLP Cc1ccc(CCC[N@@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c[nH+]1 ZINC000428281513 566829902 /nfs/dbraw/zinc/82/99/02/566829902.db2.gz ABRNQXHPBNNGRA-QGZVFWFLSA-N 2 2 376.298 3.244 20 0 GGADLP Cc1ccc(CCC[N@H+](C)[C@@H](C(N)=O)c2cccc(Br)c2)c[nH+]1 ZINC000428281513 566829906 /nfs/dbraw/zinc/82/99/06/566829906.db2.gz ABRNQXHPBNNGRA-QGZVFWFLSA-N 2 2 376.298 3.244 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000469988334 566834922 /nfs/dbraw/zinc/83/49/22/566834922.db2.gz ACBXVFCXSYVSTC-JOYOIKCWSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000469988334 566834928 /nfs/dbraw/zinc/83/49/28/566834928.db2.gz ACBXVFCXSYVSTC-JOYOIKCWSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000469988333 566835138 /nfs/dbraw/zinc/83/51/38/566835138.db2.gz ACBXVFCXSYVSTC-CABZTGNLSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc(Br)c1OC(F)F ZINC000469988333 566835144 /nfs/dbraw/zinc/83/51/44/566835144.db2.gz ACBXVFCXSYVSTC-CABZTGNLSA-N 2 2 379.245 3.228 20 0 GGADLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000470014590 566838658 /nfs/dbraw/zinc/83/86/58/566838658.db2.gz CKGZDEWLTXDPFM-SNVBAGLBSA-N 2 2 379.245 3.230 20 0 GGADLP CCOc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000470014590 566838665 /nfs/dbraw/zinc/83/86/65/566838665.db2.gz CKGZDEWLTXDPFM-SNVBAGLBSA-N 2 2 379.245 3.230 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC([NH2+]CC4CC4)CC3)c[nH+]c12 ZINC000470015272 566839294 /nfs/dbraw/zinc/83/92/94/566839294.db2.gz MTWAJEJITOBWHG-UHFFFAOYSA-N 2 2 377.330 3.369 20 0 GGADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655735528 566840814 /nfs/dbraw/zinc/84/08/14/566840814.db2.gz IZKXWGAXOKKORG-JVPBZIDWSA-N 2 2 397.357 3.368 20 0 GGADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655735529 566841239 /nfs/dbraw/zinc/84/12/39/566841239.db2.gz IZKXWGAXOKKORG-KYNGSXCRSA-N 2 2 397.357 3.368 20 0 GGADLP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1Cl ZINC000655751852 566842928 /nfs/dbraw/zinc/84/29/28/566842928.db2.gz GRSHGCFLGXPBAZ-NVXWUHKLSA-N 2 2 384.351 3.415 20 0 GGADLP Brc1cncc([C@@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655765226 566845447 /nfs/dbraw/zinc/84/54/47/566845447.db2.gz BGHOHGYARWDDML-ROUUACIJSA-N 2 2 380.330 3.138 20 0 GGADLP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)c(Cl)c1 ZINC000655760424 566845466 /nfs/dbraw/zinc/84/54/66/566845466.db2.gz PZTXRBJDDUTNSI-IRXDYDNUSA-N 2 2 384.351 3.415 20 0 GGADLP OCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000655752323 566845500 /nfs/dbraw/zinc/84/55/00/566845500.db2.gz XJUKTFWBHIHNER-VQIMIIECSA-N 2 2 397.357 3.106 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000655761480 566845577 /nfs/dbraw/zinc/84/55/77/566845577.db2.gz JJWYLNKNQWVXDV-HNNXBMFYSA-N 2 2 386.297 3.244 20 0 GGADLP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771656 566847319 /nfs/dbraw/zinc/84/73/19/566847319.db2.gz AMXSHZWPBSBUSH-DYVFJYSZSA-N 2 2 383.305 3.418 20 0 GGADLP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771659 566847447 /nfs/dbraw/zinc/84/74/47/566847447.db2.gz AMXSHZWPBSBUSH-SUMWQHHRSA-N 2 2 383.305 3.418 20 0 GGADLP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679331788 566848743 /nfs/dbraw/zinc/84/87/43/566848743.db2.gz AIPSUDKXPSRNST-ROUUACIJSA-N 2 2 385.346 3.227 20 0 GGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679331788 566848748 /nfs/dbraw/zinc/84/87/48/566848748.db2.gz AIPSUDKXPSRNST-ROUUACIJSA-N 2 2 385.346 3.227 20 0 GGADLP COCC[N@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679331786 566849777 /nfs/dbraw/zinc/84/97/77/566849777.db2.gz AIPSUDKXPSRNST-MSOLQXFVSA-N 2 2 385.346 3.227 20 0 GGADLP COCC[N@@H+](C)CCC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679331786 566849781 /nfs/dbraw/zinc/84/97/81/566849781.db2.gz AIPSUDKXPSRNST-MSOLQXFVSA-N 2 2 385.346 3.227 20 0 GGADLP Cc1cccn2c(C[NH2+]C[C@H](CO)Cc3ccc(Br)cc3)c[nH+]c12 ZINC000428529489 566851239 /nfs/dbraw/zinc/85/12/39/566851239.db2.gz APWJXPCRZRDMDC-MRXNPFEDSA-N 2 2 388.309 3.346 20 0 GGADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000655844292 566853484 /nfs/dbraw/zinc/85/34/84/566853484.db2.gz BMLZLEDNFVNKHA-PMUMKWKESA-N 2 2 379.291 3.324 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000470169381 566853597 /nfs/dbraw/zinc/85/35/97/566853597.db2.gz DUIAYFFPBQBMLT-TZMCWYRMSA-N 2 2 380.334 3.133 20 0 GGADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000655844291 566853692 /nfs/dbraw/zinc/85/36/92/566853692.db2.gz BMLZLEDNFVNKHA-HBUWYVDXSA-N 2 2 379.291 3.324 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](CO)Cc3ccccc3Br)n2c1 ZINC000428538001 566854669 /nfs/dbraw/zinc/85/46/69/566854669.db2.gz PAVXYOKXEOFCEV-HNNXBMFYSA-N 2 2 388.309 3.346 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C[C@H]21 ZINC000517937287 566856302 /nfs/dbraw/zinc/85/63/02/566856302.db2.gz TYWYZKHNAQVZCI-ZKYQVNSYSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C[C@H]21 ZINC000517937287 566856307 /nfs/dbraw/zinc/85/63/07/566856307.db2.gz TYWYZKHNAQVZCI-ZKYQVNSYSA-N 2 2 375.822 3.357 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000582421335 566861059 /nfs/dbraw/zinc/86/10/59/566861059.db2.gz XWOGGVJCCLTYQS-STQMWFEESA-N 2 2 386.323 3.008 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000582421335 566861064 /nfs/dbraw/zinc/86/10/64/566861064.db2.gz XWOGGVJCCLTYQS-STQMWFEESA-N 2 2 386.323 3.008 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000582421334 566861253 /nfs/dbraw/zinc/86/12/53/566861253.db2.gz XWOGGVJCCLTYQS-QWHCGFSZSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000582421334 566861258 /nfs/dbraw/zinc/86/12/58/566861258.db2.gz XWOGGVJCCLTYQS-QWHCGFSZSA-N 2 2 386.323 3.008 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554150 566873567 /nfs/dbraw/zinc/87/35/67/566873567.db2.gz DUZBRTMDECGDLP-BLLLJJGKSA-N 2 2 379.291 3.322 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554150 566873575 /nfs/dbraw/zinc/87/35/75/566873575.db2.gz DUZBRTMDECGDLP-BLLLJJGKSA-N 2 2 379.291 3.322 20 0 GGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000543446528 566882820 /nfs/dbraw/zinc/88/28/20/566882820.db2.gz IKUZFCUUEZTCMZ-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000543446528 566882825 /nfs/dbraw/zinc/88/28/25/566882825.db2.gz IKUZFCUUEZTCMZ-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000563428646 566883784 /nfs/dbraw/zinc/88/37/84/566883784.db2.gz FNTCLUGTEKPNDW-MRXNPFEDSA-N 2 2 383.330 3.144 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000563428646 566883789 /nfs/dbraw/zinc/88/37/89/566883789.db2.gz FNTCLUGTEKPNDW-MRXNPFEDSA-N 2 2 383.330 3.144 20 0 GGADLP C[C@H](c1ccccc1Br)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988395 566887366 /nfs/dbraw/zinc/88/73/66/566887366.db2.gz PHHJIVYTFVMFNW-MDZRGWNJSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@H](c1ccccc1Br)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988395 566887375 /nfs/dbraw/zinc/88/73/75/566887375.db2.gz PHHJIVYTFVMFNW-MDZRGWNJSA-N 2 2 380.374 3.468 20 0 GGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543546605 566889509 /nfs/dbraw/zinc/88/95/09/566889509.db2.gz UAFCQYDDOMHRTP-NSHDSACASA-N 2 2 376.258 3.355 20 0 GGADLP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)no1 ZINC000543546604 566889609 /nfs/dbraw/zinc/88/96/09/566889609.db2.gz UAFCQYDDOMHRTP-LLVKDONJSA-N 2 2 376.258 3.355 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000656255400 566890013 /nfs/dbraw/zinc/89/00/13/566890013.db2.gz KTXCDAAGHFEMHE-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000656255400 566890022 /nfs/dbraw/zinc/89/00/22/566890022.db2.gz KTXCDAAGHFEMHE-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000656255400 566890028 /nfs/dbraw/zinc/89/00/28/566890028.db2.gz KTXCDAAGHFEMHE-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000656255400 566890038 /nfs/dbraw/zinc/89/00/38/566890038.db2.gz KTXCDAAGHFEMHE-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000656254648 566890234 /nfs/dbraw/zinc/89/02/34/566890234.db2.gz DJFOVOPMJUKDEF-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000656254648 566890240 /nfs/dbraw/zinc/89/02/40/566890240.db2.gz DJFOVOPMJUKDEF-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000656254648 566890244 /nfs/dbraw/zinc/89/02/44/566890244.db2.gz DJFOVOPMJUKDEF-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000656254648 566890251 /nfs/dbraw/zinc/89/02/51/566890251.db2.gz DJFOVOPMJUKDEF-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000656259761 566892165 /nfs/dbraw/zinc/89/21/65/566892165.db2.gz CHQLRWNBGLSQJR-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000656259761 566892170 /nfs/dbraw/zinc/89/21/70/566892170.db2.gz CHQLRWNBGLSQJR-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000656259761 566892172 /nfs/dbraw/zinc/89/21/72/566892172.db2.gz CHQLRWNBGLSQJR-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000656259761 566892173 /nfs/dbraw/zinc/89/21/73/566892173.db2.gz CHQLRWNBGLSQJR-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCSCC[C@@H]3C)n2)CC1 ZINC000428954090 566893155 /nfs/dbraw/zinc/89/31/55/566893155.db2.gz HWLDSXWQJJURJE-HNNXBMFYSA-N 2 2 382.599 3.141 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCSCC[C@@H]3C)n2)CC1 ZINC000428954090 566893162 /nfs/dbraw/zinc/89/31/62/566893162.db2.gz HWLDSXWQJJURJE-HNNXBMFYSA-N 2 2 382.599 3.141 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000656260510 566894951 /nfs/dbraw/zinc/89/49/51/566894951.db2.gz QLGXIMSVBVJHMG-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000656260510 566894963 /nfs/dbraw/zinc/89/49/63/566894963.db2.gz QLGXIMSVBVJHMG-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000656260510 566894971 /nfs/dbraw/zinc/89/49/71/566894971.db2.gz QLGXIMSVBVJHMG-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000656260510 566894979 /nfs/dbraw/zinc/89/49/79/566894979.db2.gz QLGXIMSVBVJHMG-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000518621137 566896506 /nfs/dbraw/zinc/89/65/06/566896506.db2.gz BMTAMEJXBSTOBG-HOCLYGCPSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000518621137 566896512 /nfs/dbraw/zinc/89/65/12/566896512.db2.gz BMTAMEJXBSTOBG-HOCLYGCPSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000518621137 566896518 /nfs/dbraw/zinc/89/65/18/566896518.db2.gz BMTAMEJXBSTOBG-HOCLYGCPSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000518621137 566896522 /nfs/dbraw/zinc/89/65/22/566896522.db2.gz BMTAMEJXBSTOBG-HOCLYGCPSA-N 2 2 385.371 3.373 20 0 GGADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)cc(F)c3F)CC2)C1 ZINC000582851930 566900822 /nfs/dbraw/zinc/90/08/22/566900822.db2.gz TXWQIQMNTQEQIO-GOEBONIOSA-N 2 2 389.284 3.446 20 0 GGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000582964849 566910507 /nfs/dbraw/zinc/91/05/07/566910507.db2.gz PPTRJQAXJUTFRB-SMDDNHRTSA-N 2 2 378.929 3.380 20 0 GGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000582964849 566910508 /nfs/dbraw/zinc/91/05/08/566910508.db2.gz PPTRJQAXJUTFRB-SMDDNHRTSA-N 2 2 378.929 3.380 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470982421 566920061 /nfs/dbraw/zinc/92/00/61/566920061.db2.gz KXXSJEDSGAMLEA-HOCLYGCPSA-N 2 2 394.357 3.440 20 0 GGADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000451997750 566920046 /nfs/dbraw/zinc/92/00/46/566920046.db2.gz ZSYJDFHBJUWKEL-UHFFFAOYSA-N 2 2 390.316 3.233 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470982421 566920068 /nfs/dbraw/zinc/92/00/68/566920068.db2.gz KXXSJEDSGAMLEA-HOCLYGCPSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470982421 566920075 /nfs/dbraw/zinc/92/00/75/566920075.db2.gz KXXSJEDSGAMLEA-HOCLYGCPSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470982421 566920080 /nfs/dbraw/zinc/92/00/80/566920080.db2.gz KXXSJEDSGAMLEA-HOCLYGCPSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470983288 566920471 /nfs/dbraw/zinc/92/04/71/566920471.db2.gz NWSRJWAVYLWFLZ-HOCLYGCPSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470983288 566920480 /nfs/dbraw/zinc/92/04/80/566920480.db2.gz NWSRJWAVYLWFLZ-HOCLYGCPSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470983288 566920486 /nfs/dbraw/zinc/92/04/86/566920486.db2.gz NWSRJWAVYLWFLZ-HOCLYGCPSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470983288 566920490 /nfs/dbraw/zinc/92/04/90/566920490.db2.gz NWSRJWAVYLWFLZ-HOCLYGCPSA-N 2 2 394.357 3.440 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000471044829 566924652 /nfs/dbraw/zinc/92/46/52/566924652.db2.gz UYHLEMHKOORFNP-OAHLLOKOSA-N 2 2 386.367 3.316 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000471044829 566924657 /nfs/dbraw/zinc/92/46/57/566924657.db2.gz UYHLEMHKOORFNP-OAHLLOKOSA-N 2 2 386.367 3.316 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000471044829 566924662 /nfs/dbraw/zinc/92/46/62/566924662.db2.gz UYHLEMHKOORFNP-OAHLLOKOSA-N 2 2 386.367 3.316 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000471044829 566924665 /nfs/dbraw/zinc/92/46/65/566924665.db2.gz UYHLEMHKOORFNP-OAHLLOKOSA-N 2 2 386.367 3.316 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195063 566928361 /nfs/dbraw/zinc/92/83/61/566928361.db2.gz IHJDKKUVVNKHHC-SPYBWZPUSA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195063 566928368 /nfs/dbraw/zinc/92/83/68/566928368.db2.gz IHJDKKUVVNKHHC-SPYBWZPUSA-N 2 2 378.358 3.348 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429554361 566937834 /nfs/dbraw/zinc/93/78/34/566937834.db2.gz IXZOGAZXCOXBLO-CRAIPNDOSA-N 2 2 396.373 3.212 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429554361 566937841 /nfs/dbraw/zinc/93/78/41/566937841.db2.gz IXZOGAZXCOXBLO-CRAIPNDOSA-N 2 2 396.373 3.212 20 0 GGADLP CN(Cc1cccs1)C(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122777 566939981 /nfs/dbraw/zinc/93/99/81/566939981.db2.gz VNLKRTCKNSKQCS-UHFFFAOYSA-N 2 2 377.476 3.055 20 0 GGADLP CN(Cc1cccs1)C(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452122777 566939983 /nfs/dbraw/zinc/93/99/83/566939983.db2.gz VNLKRTCKNSKQCS-UHFFFAOYSA-N 2 2 377.476 3.055 20 0 GGADLP C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)n1cc[nH+]c1 ZINC000519612987 566951555 /nfs/dbraw/zinc/95/15/55/566951555.db2.gz WQRRUQAPMIZDJF-HNNXBMFYSA-N 2 2 393.329 3.187 20 0 GGADLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)c(Br)c1 ZINC000564202619 566954869 /nfs/dbraw/zinc/95/48/69/566954869.db2.gz SBQLYYIXXQPNNT-JTQLQIEISA-N 2 2 382.281 3.024 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Br)cs1 ZINC000493895417 566958838 /nfs/dbraw/zinc/95/88/38/566958838.db2.gz WXVBKQXHSJLRDF-TZMCWYRMSA-N 2 2 388.375 3.104 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Br)cs1 ZINC000493895417 566958844 /nfs/dbraw/zinc/95/88/44/566958844.db2.gz WXVBKQXHSJLRDF-TZMCWYRMSA-N 2 2 388.375 3.104 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681210247 566959948 /nfs/dbraw/zinc/95/99/48/566959948.db2.gz JVMDQSQIARFGQB-UKRRQHHQSA-N 2 2 384.977 3.272 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681210247 566959955 /nfs/dbraw/zinc/95/99/55/566959955.db2.gz JVMDQSQIARFGQB-UKRRQHHQSA-N 2 2 384.977 3.272 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681210244 566961012 /nfs/dbraw/zinc/96/10/12/566961012.db2.gz JVMDQSQIARFGQB-HIFRSBDPSA-N 2 2 384.977 3.272 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681210244 566961017 /nfs/dbraw/zinc/96/10/17/566961017.db2.gz JVMDQSQIARFGQB-HIFRSBDPSA-N 2 2 384.977 3.272 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]21 ZINC000583565412 566963210 /nfs/dbraw/zinc/96/32/10/566963210.db2.gz LDECXDWRLJNSPK-JVLSTEMRSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]21 ZINC000583565412 566963216 /nfs/dbraw/zinc/96/32/16/566963216.db2.gz LDECXDWRLJNSPK-JVLSTEMRSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]21 ZINC000583565410 566963759 /nfs/dbraw/zinc/96/37/59/566963759.db2.gz LDECXDWRLJNSPK-ITDIGPHOSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@@H]21 ZINC000583565410 566963766 /nfs/dbraw/zinc/96/37/66/566963766.db2.gz LDECXDWRLJNSPK-ITDIGPHOSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]21 ZINC000583565411 566963984 /nfs/dbraw/zinc/96/39/84/566963984.db2.gz LDECXDWRLJNSPK-IXPVHAAZSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C[C@H]21 ZINC000583565411 566963991 /nfs/dbraw/zinc/96/39/91/566963991.db2.gz LDECXDWRLJNSPK-IXPVHAAZSA-N 2 2 375.822 3.357 20 0 GGADLP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1Br ZINC000520172522 566987977 /nfs/dbraw/zinc/98/79/77/566987977.db2.gz MCDNSVPAXFZTEC-UHFFFAOYSA-N 2 2 396.373 3.262 20 0 GGADLP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1Br ZINC000520172522 566987980 /nfs/dbraw/zinc/98/79/80/566987980.db2.gz MCDNSVPAXFZTEC-UHFFFAOYSA-N 2 2 396.373 3.262 20 0 GGADLP Cn1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)nc2ccc(Br)cc21 ZINC000681593080 566992889 /nfs/dbraw/zinc/99/28/89/566992889.db2.gz IMADQQCAQJIGLA-UHFFFAOYSA-N 2 2 386.297 3.053 20 0 GGADLP Clc1cnc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000472041060 566996844 /nfs/dbraw/zinc/99/68/44/566996844.db2.gz CHSTVYXYYWKQGD-UHFFFAOYSA-N 2 2 378.973 3.484 20 0 GGADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@@H+](C)C(C)C)CC1 ZINC000544828071 566999082 /nfs/dbraw/zinc/99/90/82/566999082.db2.gz QGRFZUUILNCYMS-UHFFFAOYSA-N 2 2 396.373 3.292 20 0 GGADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[N@H+](C)C(C)C)CC1 ZINC000544828071 566999088 /nfs/dbraw/zinc/99/90/88/566999088.db2.gz QGRFZUUILNCYMS-UHFFFAOYSA-N 2 2 396.373 3.292 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494425556 567000331 /nfs/dbraw/zinc/00/03/31/567000331.db2.gz MJVWIJDWFASJCY-CYBMUJFWSA-N 2 2 380.286 3.158 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)[nH+]c12 ZINC000544858193 567002488 /nfs/dbraw/zinc/00/24/88/567002488.db2.gz DFFVWEMYNNDPKP-IHRRRGAJSA-N 2 2 393.329 3.283 20 0 GGADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[NH+]2CCCC2)CC1 ZINC000544864691 567002620 /nfs/dbraw/zinc/00/26/20/567002620.db2.gz AECBQQQYTQHRRH-UHFFFAOYSA-N 2 2 394.357 3.048 20 0 GGADLP COC(=O)c1ccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)o1 ZINC000544941362 567009462 /nfs/dbraw/zinc/00/94/62/567009462.db2.gz XZMQJSYSGWQMAX-UHFFFAOYSA-N 2 2 392.253 3.117 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000472279335 567014321 /nfs/dbraw/zinc/01/43/21/567014321.db2.gz PVLUBLOJZXFKDB-OAHLLOKOSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000472279335 567014324 /nfs/dbraw/zinc/01/43/24/567014324.db2.gz PVLUBLOJZXFKDB-OAHLLOKOSA-N 2 2 388.339 3.365 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)[nH+]c12 ZINC000494762645 567020553 /nfs/dbraw/zinc/02/05/53/567020553.db2.gz ZYIFFILTTYTXKE-BRWVUGGUSA-N 2 2 390.325 3.495 20 0 GGADLP C[C@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000430570664 567023074 /nfs/dbraw/zinc/02/30/74/567023074.db2.gz BVZWHJHHIDOBAT-CQSZACIVSA-N 2 2 394.235 3.123 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000430660684 567026954 /nfs/dbraw/zinc/02/69/54/567026954.db2.gz DQSINGOIJMRMKA-UHFFFAOYSA-N 2 2 394.235 3.090 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000430660684 567026959 /nfs/dbraw/zinc/02/69/59/567026959.db2.gz DQSINGOIJMRMKA-UHFFFAOYSA-N 2 2 394.235 3.090 20 0 GGADLP Cc1cccn2c(C[NH2+]CCCS(=O)(=O)c3ccc(Cl)cc3)c[nH+]c12 ZINC000584364230 567037040 /nfs/dbraw/zinc/03/70/40/567037040.db2.gz UVLFJJMVONKNEZ-UHFFFAOYSA-N 2 2 377.897 3.250 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000430904242 567039137 /nfs/dbraw/zinc/03/91/37/567039137.db2.gz PVNKHVFZDHCOQR-HKUYNNGSSA-N 2 2 394.357 3.044 20 0 GGADLP Brc1cnc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC000430926483 567039777 /nfs/dbraw/zinc/03/97/77/567039777.db2.gz GRSIKGQUDUJZRK-UHFFFAOYSA-N 2 2 389.135 3.182 20 0 GGADLP C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430932424 567040212 /nfs/dbraw/zinc/04/02/12/567040212.db2.gz GKKUNYSYGBFFSU-ZANVPECISA-N 2 2 394.235 3.076 20 0 GGADLP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000430932424 567040218 /nfs/dbraw/zinc/04/02/18/567040218.db2.gz GKKUNYSYGBFFSU-ZANVPECISA-N 2 2 394.235 3.076 20 0 GGADLP COc1cc(Cl)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1Cl ZINC000521116207 567041677 /nfs/dbraw/zinc/04/16/77/567041677.db2.gz HVEUFAFHCRKFAE-UHFFFAOYSA-N 2 2 386.367 3.461 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3c[nH+]ccc3N(C)C)[nH+]c12 ZINC000545351707 567041947 /nfs/dbraw/zinc/04/19/47/567041947.db2.gz QKRJFKXALMXOAM-UHFFFAOYSA-N 3 2 388.313 3.199 20 0 GGADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cs1 ZINC000430955464 567042350 /nfs/dbraw/zinc/04/23/50/567042350.db2.gz AKCLQJYQVKHDGE-NSHDSACASA-N 2 2 382.327 3.362 20 0 GGADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2CC[C@@H](C[NH3+])C2)cs1 ZINC000430955464 567042357 /nfs/dbraw/zinc/04/23/57/567042357.db2.gz AKCLQJYQVKHDGE-NSHDSACASA-N 2 2 382.327 3.362 20 0 GGADLP Brc1cccc(-c2cnc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)o2)c1 ZINC000565160837 567043965 /nfs/dbraw/zinc/04/39/65/567043965.db2.gz DCJBJPCCTBZAMJ-UHFFFAOYSA-N 2 2 388.269 3.149 20 0 GGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000495181176 567051692 /nfs/dbraw/zinc/05/16/92/567051692.db2.gz CMBPOHXHNLYACV-MAUKXSAKSA-N 2 2 375.314 3.161 20 0 GGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000495181176 567051698 /nfs/dbraw/zinc/05/16/98/567051698.db2.gz CMBPOHXHNLYACV-MAUKXSAKSA-N 2 2 375.314 3.161 20 0 GGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000495181176 567051706 /nfs/dbraw/zinc/05/17/06/567051706.db2.gz CMBPOHXHNLYACV-MAUKXSAKSA-N 2 2 375.314 3.161 20 0 GGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000495181176 567051709 /nfs/dbraw/zinc/05/17/09/567051709.db2.gz CMBPOHXHNLYACV-MAUKXSAKSA-N 2 2 375.314 3.161 20 0 GGADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1cc(Cl)cc(Cl)c1 ZINC000634700377 567054648 /nfs/dbraw/zinc/05/46/48/567054648.db2.gz YUDSPYYJOGCUTG-INIZCTEOSA-N 2 2 384.307 3.098 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ccnn3CC3CC3)[nH+]c12 ZINC000657434519 567056176 /nfs/dbraw/zinc/05/61/76/567056176.db2.gz GQOCCVBRLLMUGN-UHFFFAOYSA-N 2 2 388.313 3.344 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[N@H+](C4CC4)C[C@@H]3C)nc12 ZINC000545518591 567057689 /nfs/dbraw/zinc/05/76/89/567057689.db2.gz NTSRZNPDIPGFKC-SUMWQHHRSA-N 2 2 377.330 3.020 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[N@@H+](C4CC4)C[C@@H]3C)nc12 ZINC000545518591 567057694 /nfs/dbraw/zinc/05/76/94/567057694.db2.gz NTSRZNPDIPGFKC-SUMWQHHRSA-N 2 2 377.330 3.020 20 0 GGADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000453208452 567063103 /nfs/dbraw/zinc/06/31/03/567063103.db2.gz XXHIMUHTVFZINK-ZYHUDNBSSA-N 2 2 385.224 3.292 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000495805199 567066429 /nfs/dbraw/zinc/06/64/29/567066429.db2.gz WXMSIINUIJWJBU-UHFFFAOYSA-N 2 2 376.303 3.231 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000495805199 567066432 /nfs/dbraw/zinc/06/64/32/567066432.db2.gz WXMSIINUIJWJBU-UHFFFAOYSA-N 2 2 376.303 3.231 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000495774318 567066899 /nfs/dbraw/zinc/06/68/99/567066899.db2.gz IUDCQHVLSCIRMN-UHFFFAOYSA-N 2 2 386.367 3.410 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000495774318 567066908 /nfs/dbraw/zinc/06/69/08/567066908.db2.gz IUDCQHVLSCIRMN-UHFFFAOYSA-N 2 2 386.367 3.410 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453269096 567070594 /nfs/dbraw/zinc/07/05/94/567070594.db2.gz QZZVOXQXGPDBPX-HKUYNNGSSA-N 2 2 381.358 3.207 20 0 GGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453269096 567070602 /nfs/dbraw/zinc/07/06/02/567070602.db2.gz QZZVOXQXGPDBPX-HKUYNNGSSA-N 2 2 381.358 3.207 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3C(C)(C)C)c[nH+]c12 ZINC000565614859 567082922 /nfs/dbraw/zinc/08/29/22/567082922.db2.gz RPJBQDMNJRZZSC-GDBMZVCRSA-N 2 2 393.329 3.188 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000545912769 567087023 /nfs/dbraw/zinc/08/70/23/567087023.db2.gz BOPNHALUKWTNJW-UHFFFAOYSA-N 2 2 387.293 3.095 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000585766424 567087661 /nfs/dbraw/zinc/08/76/61/567087661.db2.gz UWNZVEMRBKXTBP-OAHLLOKOSA-N 2 2 378.270 3.269 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000585766424 567087666 /nfs/dbraw/zinc/08/76/66/567087666.db2.gz UWNZVEMRBKXTBP-OAHLLOKOSA-N 2 2 378.270 3.269 20 0 GGADLP CCC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000657741501 567091246 /nfs/dbraw/zinc/09/12/46/567091246.db2.gz FKAAAPJGQITBBU-SFHVURJKSA-N 2 2 380.374 3.487 20 0 GGADLP CCC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000657741501 567091253 /nfs/dbraw/zinc/09/12/53/567091253.db2.gz FKAAAPJGQITBBU-SFHVURJKSA-N 2 2 380.374 3.487 20 0 GGADLP CCC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000657741500 567091653 /nfs/dbraw/zinc/09/16/53/567091653.db2.gz FKAAAPJGQITBBU-GOSISDBHSA-N 2 2 380.374 3.487 20 0 GGADLP CCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000657741500 567091659 /nfs/dbraw/zinc/09/16/59/567091659.db2.gz FKAAAPJGQITBBU-GOSISDBHSA-N 2 2 380.374 3.487 20 0 GGADLP Brc1ccc2c(c1)C=C(C[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CO2 ZINC000657750294 567092443 /nfs/dbraw/zinc/09/24/43/567092443.db2.gz GIMRXKGBPLMCDQ-GOSISDBHSA-N 2 2 393.325 3.068 20 0 GGADLP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751103 567093139 /nfs/dbraw/zinc/09/31/39/567093139.db2.gz FXTQOWBJOOMVFL-CXAGYDPISA-N 2 2 385.321 3.362 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000565716639 567093597 /nfs/dbraw/zinc/09/35/97/567093597.db2.gz WOJFUXNQTLFTEP-HOTGVXAUSA-N 2 2 389.341 3.293 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000565716639 567093604 /nfs/dbraw/zinc/09/36/04/567093604.db2.gz WOJFUXNQTLFTEP-HOTGVXAUSA-N 2 2 389.341 3.293 20 0 GGADLP O=C(Nc1c[nH+]ccc1-n1cc[nH+]c1)C1(c2cncc(Br)c2)CC1 ZINC000545978344 567094024 /nfs/dbraw/zinc/09/40/24/567094024.db2.gz NQFIQFIIPVPDJI-UHFFFAOYSA-N 2 2 384.237 3.095 20 0 GGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000453586317 567094793 /nfs/dbraw/zinc/09/47/93/567094793.db2.gz YGEZTSUDYGXLAT-XJKSGUPXSA-N 2 2 386.403 3.277 20 0 GGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000453586313 567094826 /nfs/dbraw/zinc/09/48/26/567094826.db2.gz YGEZTSUDYGXLAT-BBRMVZONSA-N 2 2 386.403 3.277 20 0 GGADLP CC[C@H](C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)[NH+](CC)CC ZINC000546112274 567104901 /nfs/dbraw/zinc/10/49/01/567104901.db2.gz NCDKWPXWGQZEPV-OAHLLOKOSA-N 2 2 381.318 3.142 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)[nH+]c12 ZINC000546229025 567116329 /nfs/dbraw/zinc/11/63/29/567116329.db2.gz ZYIFFILTTYTXKE-BBWFWOEESA-N 2 2 390.325 3.495 20 0 GGADLP O=C1[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1cccc(Br)c1 ZINC000683365885 567116781 /nfs/dbraw/zinc/11/67/81/567116781.db2.gz XGJZWDZYIFHSHH-IAGOWNOFSA-N 2 2 389.297 3.088 20 0 GGADLP O=C1[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1cccc(Br)c1 ZINC000683365885 567116782 /nfs/dbraw/zinc/11/67/82/567116782.db2.gz XGJZWDZYIFHSHH-IAGOWNOFSA-N 2 2 389.297 3.088 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)Cc3ccccc3)[nH+]c12 ZINC000566130334 567129834 /nfs/dbraw/zinc/12/98/34/567129834.db2.gz BAQGODMPSDUBBF-GOSISDBHSA-N 2 2 388.309 3.141 20 0 GGADLP Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000658292168 567134509 /nfs/dbraw/zinc/13/45/09/567134509.db2.gz PEDFMSZVGGMXEI-MOPGFXCFSA-N 2 2 379.342 3.149 20 0 GGADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294885 567134556 /nfs/dbraw/zinc/13/45/56/567134556.db2.gz PSYBYSGOCBGWQD-KSSFIOAISA-N 2 2 383.305 3.418 20 0 GGADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000566212274 567138359 /nfs/dbraw/zinc/13/83/59/567138359.db2.gz PHZDFPCREWHSBY-BMGDILEWSA-N 2 2 394.357 3.220 20 0 GGADLP Clc1scc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1Cl ZINC000432228911 567139630 /nfs/dbraw/zinc/13/96/30/567139630.db2.gz NLRBOMBVXBXSHJ-UHFFFAOYSA-N 2 2 386.352 3.147 20 0 GGADLP C[N@H+](Cc1ccc(Br)cc1C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000474278041 567154494 /nfs/dbraw/zinc/15/44/94/567154494.db2.gz NNZOFPNAPQMTHU-UHFFFAOYSA-N 2 2 395.263 3.356 20 0 GGADLP C[N@@H+](Cc1ccc(Br)cc1C(F)(F)F)C1CC[NH+](CCO)CC1 ZINC000474278041 567154498 /nfs/dbraw/zinc/15/44/98/567154498.db2.gz NNZOFPNAPQMTHU-UHFFFAOYSA-N 2 2 395.263 3.356 20 0 GGADLP Cc1[nH]nc2ncc(C[NH2+]CCc3cn4cc(Br)cc(C)c4[nH+]3)cc12 ZINC000546766318 567156147 /nfs/dbraw/zinc/15/61/47/567156147.db2.gz XLHJJRYWWKDMJL-UHFFFAOYSA-N 2 2 399.296 3.317 20 0 GGADLP Cn1c[nH+]cc1CCC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000566425321 567157790 /nfs/dbraw/zinc/15/77/90/567157790.db2.gz UAMAKGFBFKACTB-UHFFFAOYSA-N 3 2 392.301 3.107 20 0 GGADLP [NH3+][C@@H](CC(F)F)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000498213317 567159899 /nfs/dbraw/zinc/15/98/99/567159899.db2.gz WTHXVWHVASIZMF-AWEZNQCLSA-N 2 2 380.266 3.057 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@H](C)C1 ZINC000546932654 567171734 /nfs/dbraw/zinc/17/17/34/567171734.db2.gz XMPGCCCAXSSLQE-RHSMWYFYSA-N 3 2 379.346 3.268 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@H](C)C1 ZINC000546932654 567171746 /nfs/dbraw/zinc/17/17/46/567171746.db2.gz XMPGCCCAXSSLQE-RHSMWYFYSA-N 3 2 379.346 3.268 20 0 GGADLP CC[NH+]1CCC([NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474466006 567174815 /nfs/dbraw/zinc/17/48/15/567174815.db2.gz DEBDGZDOYFONKN-UHFFFAOYSA-N 2 2 380.220 3.143 20 0 GGADLP C[NH+]1CCN(c2ccc(NCc3c(F)cccc3Br)[nH+]c2)CC1 ZINC000474600387 567182478 /nfs/dbraw/zinc/18/24/78/567182478.db2.gz OXTPAJPSCNMLBX-UHFFFAOYSA-N 2 2 379.277 3.347 20 0 GGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474602645 567182500 /nfs/dbraw/zinc/18/25/00/567182500.db2.gz NLBDTIYRPQIVTB-NSHDSACASA-N 2 2 394.247 3.391 20 0 GGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474602645 567182506 /nfs/dbraw/zinc/18/25/06/567182506.db2.gz NLBDTIYRPQIVTB-NSHDSACASA-N 2 2 394.247 3.391 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C[NH+]1CCCC1 ZINC000474626101 567184643 /nfs/dbraw/zinc/18/46/43/567184643.db2.gz BQBRHJRIYLKOJR-CYBMUJFWSA-N 2 2 381.236 3.014 20 0 GGADLP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000566736678 567184889 /nfs/dbraw/zinc/18/48/89/567184889.db2.gz LKFQOEOLCQPICX-YJBOKZPZSA-N 2 2 394.357 3.173 20 0 GGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474632294 567185750 /nfs/dbraw/zinc/18/57/50/567185750.db2.gz PWDLWXOLXRHQNM-NSHDSACASA-N 2 2 394.247 3.391 20 0 GGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474632294 567185752 /nfs/dbraw/zinc/18/57/52/567185752.db2.gz PWDLWXOLXRHQNM-NSHDSACASA-N 2 2 394.247 3.391 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000566738880 567185317 /nfs/dbraw/zinc/18/53/17/567185317.db2.gz ZERAIMANZFWIMQ-RZLSGREXSA-N 2 2 380.330 3.144 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000566738880 567185328 /nfs/dbraw/zinc/18/53/28/567185328.db2.gz ZERAIMANZFWIMQ-RZLSGREXSA-N 2 2 380.330 3.144 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000566738881 567185426 /nfs/dbraw/zinc/18/54/26/567185426.db2.gz ZERAIMANZFWIMQ-TTZDDIAXSA-N 2 2 380.330 3.144 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000566738881 567185432 /nfs/dbraw/zinc/18/54/32/567185432.db2.gz ZERAIMANZFWIMQ-TTZDDIAXSA-N 2 2 380.330 3.144 20 0 GGADLP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000589634227 567189762 /nfs/dbraw/zinc/18/97/62/567189762.db2.gz TYMILMRMGHNDNE-KRWDZBQOSA-N 2 2 379.551 3.046 20 0 GGADLP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000474726481 567194081 /nfs/dbraw/zinc/19/40/81/567194081.db2.gz HNCKCWPXUULSQL-CJNGLKHVSA-N 2 2 384.305 3.439 20 0 GGADLP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000474726481 567194083 /nfs/dbraw/zinc/19/40/83/567194083.db2.gz HNCKCWPXUULSQL-CJNGLKHVSA-N 2 2 384.305 3.439 20 0 GGADLP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000474726482 567194768 /nfs/dbraw/zinc/19/47/68/567194768.db2.gz HNCKCWPXUULSQL-CZUORRHYSA-N 2 2 384.305 3.439 20 0 GGADLP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000474726482 567194773 /nfs/dbraw/zinc/19/47/73/567194773.db2.gz HNCKCWPXUULSQL-CZUORRHYSA-N 2 2 384.305 3.439 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000547280261 567196517 /nfs/dbraw/zinc/19/65/17/567196517.db2.gz UPLUDLMDLKHAFT-XIKOKIGWSA-N 2 2 383.323 3.205 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000547280261 567196521 /nfs/dbraw/zinc/19/65/21/567196521.db2.gz UPLUDLMDLKHAFT-XIKOKIGWSA-N 2 2 383.323 3.205 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Br)s2)CC1 ZINC000547326129 567200363 /nfs/dbraw/zinc/20/03/63/567200363.db2.gz AYSGYIOOANCVFQ-UHFFFAOYSA-N 2 2 375.332 3.018 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2nc3cc(Cl)ccc3s2)CC1 ZINC000547325798 567200485 /nfs/dbraw/zinc/20/04/85/567200485.db2.gz CBTDKMSITAHLEY-UHFFFAOYSA-N 2 2 381.929 3.457 20 0 GGADLP C[NH2+][C@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1Cl ZINC000659315180 567204037 /nfs/dbraw/zinc/20/40/37/567204037.db2.gz YCPKHYFHEGEOGP-PXAZEXFGSA-N 2 2 379.291 3.044 20 0 GGADLP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000474922225 567209531 /nfs/dbraw/zinc/20/95/31/567209531.db2.gz GMUIHYANZAVXNF-XJKSGUPXSA-N 2 2 395.288 3.413 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3c(Cl)cccc3Cl)C2)CC1 ZINC000524750872 567211259 /nfs/dbraw/zinc/21/12/59/567211259.db2.gz BQEXKFIEIMRVIY-INIZCTEOSA-N 2 2 386.367 3.473 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOc3c(Cl)cccc3Cl)C2)CC1 ZINC000524750872 567211271 /nfs/dbraw/zinc/21/12/71/567211271.db2.gz BQEXKFIEIMRVIY-INIZCTEOSA-N 2 2 386.367 3.473 20 0 GGADLP Cc1[nH+]ccn1CC[NH+]1CCN([C@@H](C)c2ccc(Br)cc2)CC1 ZINC000499060279 567221096 /nfs/dbraw/zinc/22/10/96/567221096.db2.gz VCWRTTNSCXDLRJ-HNNXBMFYSA-N 2 2 377.330 3.333 20 0 GGADLP C[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000524961566 567222610 /nfs/dbraw/zinc/22/26/10/567222610.db2.gz VRZLPBIVLSXBFC-GOSISDBHSA-N 2 2 377.941 3.179 20 0 GGADLP C[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000524961566 567222613 /nfs/dbraw/zinc/22/26/13/567222613.db2.gz VRZLPBIVLSXBFC-GOSISDBHSA-N 2 2 377.941 3.179 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000524944335 567222698 /nfs/dbraw/zinc/22/26/98/567222698.db2.gz TXUFHUCFWCCJIP-IBGZPJMESA-N 2 2 375.310 3.176 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccccc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000524944335 567222704 /nfs/dbraw/zinc/22/27/04/567222704.db2.gz TXUFHUCFWCCJIP-IBGZPJMESA-N 2 2 375.310 3.176 20 0 GGADLP O[C@@]1(C[NH2+]Cc2csc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000524945949 567222787 /nfs/dbraw/zinc/22/27/87/567222787.db2.gz HFCHWAMOCBAOOG-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@@]1(C[NH2+]Cc2csc(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000524945949 567222793 /nfs/dbraw/zinc/22/27/93/567222793.db2.gz HFCHWAMOCBAOOG-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCCC34CC[NH+](C)CC4)c[nH+]c12 ZINC000475119399 567225478 /nfs/dbraw/zinc/22/54/78/567225478.db2.gz CPDHBSDFVQQHOK-UHFFFAOYSA-N 2 2 377.330 3.465 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525196075 567234064 /nfs/dbraw/zinc/23/40/64/567234064.db2.gz WMRXHEHGBAUOPD-PBHICJAKSA-N 2 2 385.346 3.437 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000525196075 567234069 /nfs/dbraw/zinc/23/40/69/567234069.db2.gz WMRXHEHGBAUOPD-PBHICJAKSA-N 2 2 385.346 3.437 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659882206 567234654 /nfs/dbraw/zinc/23/46/54/567234654.db2.gz FCTCUAXPHOIFFV-CYBMUJFWSA-N 2 2 388.269 3.042 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000659882206 567234661 /nfs/dbraw/zinc/23/46/61/567234661.db2.gz FCTCUAXPHOIFFV-CYBMUJFWSA-N 2 2 388.269 3.042 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cc(Br)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000525461656 567250246 /nfs/dbraw/zinc/25/02/46/567250246.db2.gz CTCCZLFGQCUAFU-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cc(Br)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461656 567250249 /nfs/dbraw/zinc/25/02/49/567250249.db2.gz CTCCZLFGQCUAFU-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(Br)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000525461389 567250651 /nfs/dbraw/zinc/25/06/51/567250651.db2.gz RRWCPRWJTOGIMH-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(Br)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461389 567250657 /nfs/dbraw/zinc/25/06/57/567250657.db2.gz RRWCPRWJTOGIMH-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660077361 567258450 /nfs/dbraw/zinc/25/84/50/567258450.db2.gz ONKDCAHHPWCAHU-LLVKDONJSA-N 2 2 388.269 3.111 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660077361 567258456 /nfs/dbraw/zinc/25/84/56/567258456.db2.gz ONKDCAHHPWCAHU-LLVKDONJSA-N 2 2 388.269 3.111 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C1 ZINC000660081102 567258744 /nfs/dbraw/zinc/25/87/44/567258744.db2.gz CVRQZSIMDACJLG-BLLLJJGKSA-N 2 2 393.329 3.170 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C1 ZINC000660081102 567258749 /nfs/dbraw/zinc/25/87/49/567258749.db2.gz CVRQZSIMDACJLG-BLLLJJGKSA-N 2 2 393.329 3.170 20 0 GGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C1 ZINC000660081102 567258761 /nfs/dbraw/zinc/25/87/61/567258761.db2.gz CVRQZSIMDACJLG-BLLLJJGKSA-N 2 2 393.329 3.170 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000660113437 567263014 /nfs/dbraw/zinc/26/30/14/567263014.db2.gz RNFJJEYOVHTTST-UHFFFAOYSA-N 2 2 375.270 3.251 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083462 567263869 /nfs/dbraw/zinc/26/38/69/567263869.db2.gz WEQRUCIZGFWKNN-CZUORRHYSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083462 567263876 /nfs/dbraw/zinc/26/38/76/567263876.db2.gz WEQRUCIZGFWKNN-CZUORRHYSA-N 2 2 377.286 3.310 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CCC[C@H](n3cc[nH+]c3)C1)OCCO2 ZINC000591083483 567264876 /nfs/dbraw/zinc/26/48/76/567264876.db2.gz WPLNKRZZYVUTND-AWEZNQCLSA-N 2 2 378.270 3.254 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CCC[C@H](n3cc[nH+]c3)C1)OCCO2 ZINC000591083483 567264880 /nfs/dbraw/zinc/26/48/80/567264880.db2.gz WPLNKRZZYVUTND-AWEZNQCLSA-N 2 2 378.270 3.254 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000567679742 567267315 /nfs/dbraw/zinc/26/73/15/567267315.db2.gz DYFFADJJGQSEAX-HYSWKAIVSA-N 2 2 385.371 3.277 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000567679742 567267321 /nfs/dbraw/zinc/26/73/21/567267321.db2.gz DYFFADJJGQSEAX-HYSWKAIVSA-N 2 2 385.371 3.277 20 0 GGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638752254 567267722 /nfs/dbraw/zinc/26/77/22/567267722.db2.gz WLYPVGNBXIXJLX-JKSUJKDBSA-N 2 2 394.313 3.058 20 0 GGADLP O=C(CC[NH2+]CCc1cn2c([nH+]1)CCCC2)Nc1cccc(Br)c1 ZINC000567678106 567267746 /nfs/dbraw/zinc/26/77/46/567267746.db2.gz KLGMWTHRSFNCCR-UHFFFAOYSA-N 2 2 391.313 3.143 20 0 GGADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638752249 567268395 /nfs/dbraw/zinc/26/83/95/567268395.db2.gz WLYPVGNBXIXJLX-HOTGVXAUSA-N 2 2 394.313 3.058 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000567707584 567270398 /nfs/dbraw/zinc/27/03/98/567270398.db2.gz YWRZWUJOIPMHSH-KSSFIOAISA-N 2 2 392.341 3.353 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000567707584 567270402 /nfs/dbraw/zinc/27/04/02/567270402.db2.gz YWRZWUJOIPMHSH-KSSFIOAISA-N 2 2 392.341 3.353 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282838 567271570 /nfs/dbraw/zinc/27/15/70/567271570.db2.gz SXLUOLPYLSCBKJ-SNVBAGLBSA-N 2 2 392.231 3.334 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncsc2Br)CC1 ZINC000660155896 567271992 /nfs/dbraw/zinc/27/19/92/567271992.db2.gz DTFZLZYNPOURNS-UHFFFAOYSA-N 2 2 390.391 3.476 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncsc2Br)CC1 ZINC000660155896 567271999 /nfs/dbraw/zinc/27/19/99/567271999.db2.gz DTFZLZYNPOURNS-UHFFFAOYSA-N 2 2 390.391 3.476 20 0 GGADLP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000685455267 567275704 /nfs/dbraw/zinc/27/57/04/567275704.db2.gz ASYIDBKEIYLSNO-UHFFFAOYSA-N 2 2 386.367 3.461 20 0 GGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1OC(F)F ZINC000567870501 567286692 /nfs/dbraw/zinc/28/66/92/567286692.db2.gz FDPMHHFAIHUOCF-WCQYABFASA-N 2 2 375.257 3.400 20 0 GGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1OC(F)F ZINC000567870501 567286696 /nfs/dbraw/zinc/28/66/96/567286696.db2.gz FDPMHHFAIHUOCF-WCQYABFASA-N 2 2 375.257 3.400 20 0 GGADLP Brc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660471869 567299574 /nfs/dbraw/zinc/29/95/74/567299574.db2.gz ZRQOEJVBBQXMRC-QGZVFWFLSA-N 2 2 383.330 3.015 20 0 GGADLP Brc1ccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660471869 567299575 /nfs/dbraw/zinc/29/95/75/567299575.db2.gz ZRQOEJVBBQXMRC-QGZVFWFLSA-N 2 2 383.330 3.015 20 0 GGADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2F)CC1 ZINC000639526540 567312264 /nfs/dbraw/zinc/31/22/64/567312264.db2.gz IAQSHVUCSKRVNS-UHFFFAOYSA-N 2 2 376.303 3.022 20 0 GGADLP CCCC[NH+]1CCC(NC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC1 ZINC000455863596 567312573 /nfs/dbraw/zinc/31/25/73/567312573.db2.gz JQBTZQLBVUTSCF-UHFFFAOYSA-N 2 2 398.349 3.296 20 0 GGADLP CN(C)c1cc(NC(=O)NCCCCC[NH+]2CCCC2)[nH+]cc1Br ZINC000455865254 567312612 /nfs/dbraw/zinc/31/26/12/567312612.db2.gz LJIRDFOMQWPWPO-UHFFFAOYSA-N 2 2 398.349 3.298 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653633 567315125 /nfs/dbraw/zinc/31/51/25/567315125.db2.gz TXFMYHGHFJGNPF-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653633 567315131 /nfs/dbraw/zinc/31/51/31/567315131.db2.gz TXFMYHGHFJGNPF-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660653633 567315137 /nfs/dbraw/zinc/31/51/37/567315137.db2.gz TXFMYHGHFJGNPF-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660653633 567315143 /nfs/dbraw/zinc/31/51/43/567315143.db2.gz TXFMYHGHFJGNPF-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000434633850 567316653 /nfs/dbraw/zinc/31/66/53/567316653.db2.gz MDJFVCLKSKKYDJ-SSOJOUAXSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000434633850 567316660 /nfs/dbraw/zinc/31/66/60/567316660.db2.gz MDJFVCLKSKKYDJ-SSOJOUAXSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000434633850 567316666 /nfs/dbraw/zinc/31/66/66/567316666.db2.gz MDJFVCLKSKKYDJ-SSOJOUAXSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000434633850 567316670 /nfs/dbraw/zinc/31/66/70/567316670.db2.gz MDJFVCLKSKKYDJ-SSOJOUAXSA-N 2 2 377.579 3.143 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657277 567316801 /nfs/dbraw/zinc/31/68/01/567316801.db2.gz OYNYKXABXGEKIL-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657277 567316805 /nfs/dbraw/zinc/31/68/05/567316805.db2.gz OYNYKXABXGEKIL-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657277 567316810 /nfs/dbraw/zinc/31/68/10/567316810.db2.gz OYNYKXABXGEKIL-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657277 567316815 /nfs/dbraw/zinc/31/68/15/567316815.db2.gz OYNYKXABXGEKIL-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655169 567317070 /nfs/dbraw/zinc/31/70/70/567317070.db2.gz LDQJGFYLUBHAQY-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660655169 567317078 /nfs/dbraw/zinc/31/70/78/567317078.db2.gz LDQJGFYLUBHAQY-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660655169 567317086 /nfs/dbraw/zinc/31/70/86/567317086.db2.gz LDQJGFYLUBHAQY-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660655169 567317091 /nfs/dbraw/zinc/31/70/91/567317091.db2.gz LDQJGFYLUBHAQY-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000434633849 567317345 /nfs/dbraw/zinc/31/73/45/567317345.db2.gz MDJFVCLKSKKYDJ-NSYGIPOTSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000434633849 567317353 /nfs/dbraw/zinc/31/73/53/567317353.db2.gz MDJFVCLKSKKYDJ-NSYGIPOTSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000434633849 567317359 /nfs/dbraw/zinc/31/73/59/567317359.db2.gz MDJFVCLKSKKYDJ-NSYGIPOTSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000434633849 567317365 /nfs/dbraw/zinc/31/73/65/567317365.db2.gz MDJFVCLKSKKYDJ-NSYGIPOTSA-N 2 2 377.579 3.143 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000434681350 567320164 /nfs/dbraw/zinc/32/01/64/567320164.db2.gz NKQALINOBJPNRA-RHSMWYFYSA-N 2 2 382.346 3.172 20 0 GGADLP [NH3+]C1CC[NH+](Cc2nc(-c3ccc(I)cc3)cs2)CC1 ZINC000434658129 567320490 /nfs/dbraw/zinc/32/04/90/567320490.db2.gz AEIIUTBKZJJPJK-UHFFFAOYSA-N 2 2 399.301 3.338 20 0 GGADLP C[C@@H](CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000617754779 567332927 /nfs/dbraw/zinc/33/29/27/567332927.db2.gz AIRXOOYUAWBUIM-WMLDXEAASA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H](CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000617754780 567333707 /nfs/dbraw/zinc/33/37/07/567333707.db2.gz AIRXOOYUAWBUIM-YOEHRIQHSA-N 2 2 382.346 3.042 20 0 GGADLP C[N@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000476578554 567337216 /nfs/dbraw/zinc/33/72/16/567337216.db2.gz QJRWGKWSIWBNBG-MRXNPFEDSA-N 2 2 386.367 3.458 20 0 GGADLP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000476578554 567337220 /nfs/dbraw/zinc/33/72/20/567337220.db2.gz QJRWGKWSIWBNBG-MRXNPFEDSA-N 2 2 386.367 3.458 20 0 GGADLP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000476578554 567337225 /nfs/dbraw/zinc/33/72/25/567337225.db2.gz QJRWGKWSIWBNBG-MRXNPFEDSA-N 2 2 386.367 3.458 20 0 GGADLP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC(=O)NCCc1cccc(Cl)c1Cl ZINC000476578554 567337231 /nfs/dbraw/zinc/33/72/31/567337231.db2.gz QJRWGKWSIWBNBG-MRXNPFEDSA-N 2 2 386.367 3.458 20 0 GGADLP C=Cn1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000568565512 567339327 /nfs/dbraw/zinc/33/93/27/567339327.db2.gz NOUBJNWNFLGABP-UHFFFAOYSA-N 2 2 376.258 3.238 20 0 GGADLP C=Cn1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000568565512 567339331 /nfs/dbraw/zinc/33/93/31/567339331.db2.gz NOUBJNWNFLGABP-UHFFFAOYSA-N 2 2 376.258 3.238 20 0 GGADLP Brc1cc2c(c(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)OCC2 ZINC000435052526 567340090 /nfs/dbraw/zinc/34/00/90/567340090.db2.gz IFOLTVYMESTECO-QGZVFWFLSA-N 2 2 375.266 3.432 20 0 GGADLP Brc1cc2c(c(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)c1)OCC2 ZINC000435052526 567340093 /nfs/dbraw/zinc/34/00/93/567340093.db2.gz IFOLTVYMESTECO-QGZVFWFLSA-N 2 2 375.266 3.432 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CCC2 ZINC000568751116 567353406 /nfs/dbraw/zinc/35/34/06/567353406.db2.gz YRKUVIILTFAURY-DZGCQCFKSA-N 2 2 384.307 3.405 20 0 GGADLP Cc1cc(CN2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000500982829 567357231 /nfs/dbraw/zinc/35/72/31/567357231.db2.gz YXFPNFGXWWFVLH-INIZCTEOSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1cc(CN2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000500982829 567357241 /nfs/dbraw/zinc/35/72/41/567357241.db2.gz YXFPNFGXWWFVLH-INIZCTEOSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1cc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000500982829 567357247 /nfs/dbraw/zinc/35/72/47/567357247.db2.gz YXFPNFGXWWFVLH-INIZCTEOSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000500982829 567357249 /nfs/dbraw/zinc/35/72/49/567357249.db2.gz YXFPNFGXWWFVLH-INIZCTEOSA-N 2 2 380.374 3.358 20 0 GGADLP Brc1ccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435369677 567357551 /nfs/dbraw/zinc/35/75/51/567357551.db2.gz FXSGWRMRRXAQMB-SFHVURJKSA-N 2 2 375.314 3.383 20 0 GGADLP Brc1ccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435369677 567357557 /nfs/dbraw/zinc/35/75/57/567357557.db2.gz FXSGWRMRRXAQMB-SFHVURJKSA-N 2 2 375.314 3.383 20 0 GGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527672514 567359418 /nfs/dbraw/zinc/35/94/18/567359418.db2.gz KLQXKDLAFUHLKF-GXFFZTMASA-N 2 2 381.343 3.473 20 0 GGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527672514 567359419 /nfs/dbraw/zinc/35/94/19/567359419.db2.gz KLQXKDLAFUHLKF-GXFFZTMASA-N 2 2 381.343 3.473 20 0 GGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527672513 567360185 /nfs/dbraw/zinc/36/01/85/567360185.db2.gz KLQXKDLAFUHLKF-GWCFXTLKSA-N 2 2 381.343 3.473 20 0 GGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527672513 567360190 /nfs/dbraw/zinc/36/01/90/567360190.db2.gz KLQXKDLAFUHLKF-GWCFXTLKSA-N 2 2 381.343 3.473 20 0 GGADLP Cn1ccnc1C[N@H+](Cc1ccc(Br)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435421191 567360931 /nfs/dbraw/zinc/36/09/31/567360931.db2.gz GOSVDOLVKYFRRE-QGZVFWFLSA-N 2 2 389.341 3.327 20 0 GGADLP Cn1ccnc1C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435421191 567360938 /nfs/dbraw/zinc/36/09/38/567360938.db2.gz GOSVDOLVKYFRRE-QGZVFWFLSA-N 2 2 389.341 3.327 20 0 GGADLP Brc1ccc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)nc1 ZINC000435419926 567361144 /nfs/dbraw/zinc/36/11/44/567361144.db2.gz AQANOXDXSZTDKK-OAHLLOKOSA-N 2 2 393.354 3.445 20 0 GGADLP Brc1ccc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)nc1 ZINC000435419926 567361149 /nfs/dbraw/zinc/36/11/49/567361149.db2.gz AQANOXDXSZTDKK-OAHLLOKOSA-N 2 2 393.354 3.445 20 0 GGADLP Brc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000527693620 567362832 /nfs/dbraw/zinc/36/28/32/567362832.db2.gz FRECFJZTITXIHU-LLVKDONJSA-N 2 2 378.299 3.202 20 0 GGADLP Brc1cncc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435428417 567362773 /nfs/dbraw/zinc/36/27/73/567362773.db2.gz QSMYKBTYXUCFGT-HNNXBMFYSA-N 2 2 393.354 3.445 20 0 GGADLP Brc1cncc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435428417 567362779 /nfs/dbraw/zinc/36/27/79/567362779.db2.gz QSMYKBTYXUCFGT-HNNXBMFYSA-N 2 2 393.354 3.445 20 0 GGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2F)CCCO1 ZINC000527700638 567364680 /nfs/dbraw/zinc/36/46/80/567364680.db2.gz NNMUGCRVRCTLNS-GFCCVEGCSA-N 2 2 377.273 3.318 20 0 GGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2F)CCCO1 ZINC000527700638 567364687 /nfs/dbraw/zinc/36/46/87/567364687.db2.gz NNMUGCRVRCTLNS-GFCCVEGCSA-N 2 2 377.273 3.318 20 0 GGADLP Cn1ccnc1C[N@H+](Cc1cc(Br)cs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440409 567367937 /nfs/dbraw/zinc/36/79/37/567367937.db2.gz WKTGVEQCUNVPDT-OAHLLOKOSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1ccnc1C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440409 567367943 /nfs/dbraw/zinc/36/79/43/567367943.db2.gz WKTGVEQCUNVPDT-OAHLLOKOSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1cc(Br)cs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440409 567367950 /nfs/dbraw/zinc/36/79/50/567367950.db2.gz WKTGVEQCUNVPDT-OAHLLOKOSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1sccc1Br)[C@H]1CC12CC[NH2+]CC2 ZINC000435440314 567368488 /nfs/dbraw/zinc/36/84/88/567368488.db2.gz VOAVYOLKJKWKND-HNNXBMFYSA-N 2 2 395.370 3.388 20 0 GGADLP CC[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435612533 567379768 /nfs/dbraw/zinc/37/97/68/567379768.db2.gz GLLGFJTWQZCEBQ-MRXNPFEDSA-N 2 2 393.329 3.387 20 0 GGADLP CC[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435612533 567379769 /nfs/dbraw/zinc/37/97/69/567379769.db2.gz GLLGFJTWQZCEBQ-MRXNPFEDSA-N 2 2 393.329 3.387 20 0 GGADLP Cc1csc(NC(=O)C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435693845 567384416 /nfs/dbraw/zinc/38/44/16/567384416.db2.gz NRUHTIAWBSYXLA-OAHLLOKOSA-N 2 2 376.551 3.096 20 0 GGADLP Cc1csc(NC(=O)C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435693845 567384420 /nfs/dbraw/zinc/38/44/20/567384420.db2.gz NRUHTIAWBSYXLA-OAHLLOKOSA-N 2 2 376.551 3.096 20 0 GGADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000569217974 567387909 /nfs/dbraw/zinc/38/79/09/567387909.db2.gz PEYNZUAGXHFOAD-QAPCUYQASA-N 2 2 386.323 3.150 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000569577385 567415486 /nfs/dbraw/zinc/41/54/86/567415486.db2.gz NFOZQNYTIQTZBY-WOPDTQHZSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000569577385 567415494 /nfs/dbraw/zinc/41/54/94/567415494.db2.gz NFOZQNYTIQTZBY-WOPDTQHZSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H](C[NH3+])C1 ZINC000662314741 567425750 /nfs/dbraw/zinc/42/57/50/567425750.db2.gz FOFDETIZMQWESO-DYVFJYSZSA-N 2 2 375.314 3.465 20 0 GGADLP C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H](C[NH3+])C1 ZINC000662314741 567425757 /nfs/dbraw/zinc/42/57/57/567425757.db2.gz FOFDETIZMQWESO-DYVFJYSZSA-N 2 2 375.314 3.465 20 0 GGADLP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000550078029 567425985 /nfs/dbraw/zinc/42/59/85/567425985.db2.gz NTHIAHCZIMDAFN-UXLLHSPISA-N 2 2 381.358 3.395 20 0 GGADLP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)C[C@H](C)O1 ZINC000550078029 567425989 /nfs/dbraw/zinc/42/59/89/567425989.db2.gz NTHIAHCZIMDAFN-UXLLHSPISA-N 2 2 381.358 3.395 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000569723762 567426366 /nfs/dbraw/zinc/42/63/66/567426366.db2.gz NIJMWFZHEKRWPJ-ADEWGFFLSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000569723762 567426373 /nfs/dbraw/zinc/42/63/73/567426373.db2.gz NIJMWFZHEKRWPJ-ADEWGFFLSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000569723767 567427061 /nfs/dbraw/zinc/42/70/61/567427061.db2.gz NIJMWFZHEKRWPJ-YUSALJHKSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000569723767 567427067 /nfs/dbraw/zinc/42/70/67/567427067.db2.gz NIJMWFZHEKRWPJ-YUSALJHKSA-N 2 2 383.315 3.120 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4c(s3)CC[NH2+]C4)n2)C1 ZINC000662363975 567430248 /nfs/dbraw/zinc/43/02/48/567430248.db2.gz PDBZSPQOSMJFSZ-GFCCVEGCSA-N 2 2 376.551 3.335 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4c(s3)CC[NH2+]C4)n2)C1 ZINC000662363975 567430252 /nfs/dbraw/zinc/43/02/52/567430252.db2.gz PDBZSPQOSMJFSZ-GFCCVEGCSA-N 2 2 376.551 3.335 20 0 GGADLP CCN(CC)c1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2Br)c[nH+]1 ZINC000662386916 567431193 /nfs/dbraw/zinc/43/11/93/567431193.db2.gz OYBPPGHJGNKYAN-QGZVFWFLSA-N 2 2 391.313 3.007 20 0 GGADLP C[NH2+][C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1Cl ZINC000662377237 567431261 /nfs/dbraw/zinc/43/12/61/567431261.db2.gz GMXMMZQEVDIUDM-KRWDZBQOSA-N 2 2 381.307 3.146 20 0 GGADLP C[NH2+][C@@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(Cl)c1Cl ZINC000662406437 567435071 /nfs/dbraw/zinc/43/50/71/567435071.db2.gz ZCQXVEQUYPNDHL-QGZVFWFLSA-N 2 2 398.359 3.490 20 0 GGADLP C[NH2+][C@@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(Cl)c1Cl ZINC000662406437 567435073 /nfs/dbraw/zinc/43/50/73/567435073.db2.gz ZCQXVEQUYPNDHL-QGZVFWFLSA-N 2 2 398.359 3.490 20 0 GGADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1Br ZINC000550294947 567438491 /nfs/dbraw/zinc/43/84/91/567438491.db2.gz HGEXJGAYPYKNKJ-LJQANCHMSA-N 2 2 389.337 3.266 20 0 GGADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1Br ZINC000550294947 567438499 /nfs/dbraw/zinc/43/84/99/567438499.db2.gz HGEXJGAYPYKNKJ-LJQANCHMSA-N 2 2 389.337 3.266 20 0 GGADLP C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000662513140 567443456 /nfs/dbraw/zinc/44/34/56/567443456.db2.gz ZJIGSWOZXZHRKI-QAPCUYQASA-N 2 2 375.925 3.222 20 0 GGADLP C[N@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000662513140 567443460 /nfs/dbraw/zinc/44/34/60/567443460.db2.gz ZJIGSWOZXZHRKI-QAPCUYQASA-N 2 2 375.925 3.222 20 0 GGADLP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cc2c(s1)CC[NH2+]C2 ZINC000662525584 567445179 /nfs/dbraw/zinc/44/51/79/567445179.db2.gz VVFFFQVZQPMBKI-UHFFFAOYSA-N 2 2 376.551 3.479 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662539785 567446535 /nfs/dbraw/zinc/44/65/35/567446535.db2.gz KIFKRZPNBLBBHZ-KRWDZBQOSA-N 2 2 393.329 3.147 20 0 GGADLP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569970248 567447521 /nfs/dbraw/zinc/44/75/21/567447521.db2.gz VZHJHPOUQQHQSM-CRAIPNDOSA-N 2 2 394.357 3.044 20 0 GGADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569970251 567447530 /nfs/dbraw/zinc/44/75/30/567447530.db2.gz VZHJHPOUQQHQSM-YJBOKZPZSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Br)cc1F ZINC000569960429 567448155 /nfs/dbraw/zinc/44/81/55/567448155.db2.gz HCFRWNPTAIOXKJ-JTQLQIEISA-N 2 2 382.281 3.024 20 0 GGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009046 567451425 /nfs/dbraw/zinc/45/14/25/567451425.db2.gz MXIIVIZYSWUIPF-ZBFHGGJFSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009046 567451433 /nfs/dbraw/zinc/45/14/33/567451433.db2.gz MXIIVIZYSWUIPF-ZBFHGGJFSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009046 567451441 /nfs/dbraw/zinc/45/14/41/567451441.db2.gz MXIIVIZYSWUIPF-ZBFHGGJFSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009046 567451445 /nfs/dbraw/zinc/45/14/45/567451445.db2.gz MXIIVIZYSWUIPF-ZBFHGGJFSA-N 2 2 381.314 3.136 20 0 GGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c2ccsc2S1 ZINC000641785937 567457370 /nfs/dbraw/zinc/45/73/70/567457370.db2.gz GSMUFFNXWKFVGH-LZLYRXPVSA-N 2 2 381.611 3.060 20 0 GGADLP C[NH2+][C@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(Cl)c1Cl ZINC000662695017 567457967 /nfs/dbraw/zinc/45/79/67/567457967.db2.gz WCSJYDVZOWZZJH-SFHVURJKSA-N 2 2 378.303 3.386 20 0 GGADLP C[NH2+][C@@H](C(=O)NCC[NH+]1Cc2ccccc2C1)c1cccc(Cl)c1Cl ZINC000662695016 567457996 /nfs/dbraw/zinc/45/79/96/567457996.db2.gz WCSJYDVZOWZZJH-GOSISDBHSA-N 2 2 378.303 3.386 20 0 GGADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000570103869 567458203 /nfs/dbraw/zinc/45/82/03/567458203.db2.gz DFODLKIKLKXKNE-INIZCTEOSA-N 2 2 391.357 3.494 20 0 GGADLP C[C@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000503017962 567464792 /nfs/dbraw/zinc/46/47/92/567464792.db2.gz DPFQOEBGKNAVFL-RDTXWAMCSA-N 2 2 394.357 3.185 20 0 GGADLP C[C@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000503017962 567464799 /nfs/dbraw/zinc/46/47/99/567464799.db2.gz DPFQOEBGKNAVFL-RDTXWAMCSA-N 2 2 394.357 3.185 20 0 GGADLP C[C@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000503017958 567465375 /nfs/dbraw/zinc/46/53/75/567465375.db2.gz DPFQOEBGKNAVFL-KDOFPFPSSA-N 2 2 394.357 3.185 20 0 GGADLP C[C@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000503017958 567465379 /nfs/dbraw/zinc/46/53/79/567465379.db2.gz DPFQOEBGKNAVFL-KDOFPFPSSA-N 2 2 394.357 3.185 20 0 GGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000478581653 567469230 /nfs/dbraw/zinc/46/92/30/567469230.db2.gz PWFIYMQOKNWANT-ZDUSSCGKSA-N 2 2 395.345 3.231 20 0 GGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000478587609 567469259 /nfs/dbraw/zinc/46/92/59/567469259.db2.gz ADNYNSHJSIYBPY-GFCCVEGCSA-N 2 2 381.318 3.188 20 0 GGADLP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000570292080 567473485 /nfs/dbraw/zinc/47/34/85/567473485.db2.gz PXOBTVJLGFWVPA-SFHVURJKSA-N 2 2 377.941 3.179 20 0 GGADLP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1ccc(Cl)cc1 ZINC000570292080 567473488 /nfs/dbraw/zinc/47/34/88/567473488.db2.gz PXOBTVJLGFWVPA-SFHVURJKSA-N 2 2 377.941 3.179 20 0 GGADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000457586197 567476638 /nfs/dbraw/zinc/47/66/38/567476638.db2.gz SSFJGTVHXBMLGJ-UHFFFAOYSA-N 2 2 381.307 3.279 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000663303322 567494253 /nfs/dbraw/zinc/49/42/53/567494253.db2.gz FURDHZQXODGVCC-TZMCWYRMSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000663305271 567494894 /nfs/dbraw/zinc/49/48/94/567494894.db2.gz WSCAVHLASKNMMO-DOMZBBRYSA-N 2 2 386.323 3.163 20 0 GGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Br)c1O ZINC000663343731 567498370 /nfs/dbraw/zinc/49/83/70/567498370.db2.gz CTDPIQCCEVBABC-AWEZNQCLSA-N 2 2 383.330 3.375 20 0 GGADLP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1O ZINC000663343731 567498377 /nfs/dbraw/zinc/49/83/77/567498377.db2.gz CTDPIQCCEVBABC-AWEZNQCLSA-N 2 2 383.330 3.375 20 0 GGADLP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000479059946 567499129 /nfs/dbraw/zinc/49/91/29/567499129.db2.gz MAVQRHIPZAGQQQ-LJHODMEESA-N 2 2 380.374 3.298 20 0 GGADLP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000479059946 567499135 /nfs/dbraw/zinc/49/91/35/567499135.db2.gz MAVQRHIPZAGQQQ-LJHODMEESA-N 2 2 380.374 3.298 20 0 GGADLP Brc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)OCO2 ZINC000663346698 567499726 /nfs/dbraw/zinc/49/97/26/567499726.db2.gz CYIULZXQZACPFM-CQSZACIVSA-N 2 2 381.314 3.389 20 0 GGADLP Brc1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)OCO2 ZINC000663346698 567499731 /nfs/dbraw/zinc/49/97/31/567499731.db2.gz CYIULZXQZACPFM-CQSZACIVSA-N 2 2 381.314 3.389 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346938 567499759 /nfs/dbraw/zinc/49/97/59/567499759.db2.gz YCTOZXQADBDMFI-INIZCTEOSA-N 2 2 384.973 3.345 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346938 567499765 /nfs/dbraw/zinc/49/97/65/567499765.db2.gz YCTOZXQADBDMFI-INIZCTEOSA-N 2 2 384.973 3.345 20 0 GGADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000479082631 567502411 /nfs/dbraw/zinc/50/24/11/567502411.db2.gz UHORAJWIHSUDOJ-QZTJIDSGSA-N 2 2 396.373 3.466 20 0 GGADLP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000479082631 567502415 /nfs/dbraw/zinc/50/24/15/567502415.db2.gz UHORAJWIHSUDOJ-QZTJIDSGSA-N 2 2 396.373 3.466 20 0 GGADLP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cc(Br)ccc21 ZINC000479084491 567502434 /nfs/dbraw/zinc/50/24/34/567502434.db2.gz YEYFKIATFSJKGO-IRXDYDNUSA-N 2 2 394.357 3.101 20 0 GGADLP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cc(Br)ccc21 ZINC000479084491 567502439 /nfs/dbraw/zinc/50/24/39/567502439.db2.gz YEYFKIATFSJKGO-IRXDYDNUSA-N 2 2 394.357 3.101 20 0 GGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000570683946 567505507 /nfs/dbraw/zinc/50/55/07/567505507.db2.gz OMEGIFCCOQXZMT-SECBINFHSA-N 2 2 375.420 3.118 20 0 GGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000570683946 567505512 /nfs/dbraw/zinc/50/55/12/567505512.db2.gz OMEGIFCCOQXZMT-SECBINFHSA-N 2 2 375.420 3.118 20 0 GGADLP OC1CC[NH+](CCCNc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000663403595 567505736 /nfs/dbraw/zinc/50/57/36/567505736.db2.gz WQDWEZCQTADQLN-UHFFFAOYSA-N 2 2 382.277 3.395 20 0 GGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663440696 567509210 /nfs/dbraw/zinc/50/92/10/567509210.db2.gz PNIQUJWVILTUSH-HOCLYGCPSA-N 2 2 384.387 3.212 20 0 GGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663440696 567509214 /nfs/dbraw/zinc/50/92/14/567509214.db2.gz PNIQUJWVILTUSH-HOCLYGCPSA-N 2 2 384.387 3.212 20 0 GGADLP COC[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCC[NH2+]1 ZINC000643531971 567512292 /nfs/dbraw/zinc/51/22/92/567512292.db2.gz LFHPNFVMLBTLRA-FGTMMUONSA-N 2 2 383.330 3.027 20 0 GGADLP Cc1nc(NCC2([NH+]3CCCCC3)CCOCC2)c(Br)c(C)[nH+]1 ZINC000663640132 567519900 /nfs/dbraw/zinc/51/99/00/567519900.db2.gz BSWGQAAXWLRRIP-UHFFFAOYSA-N 2 2 383.334 3.303 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CCN(c4[nH]cc[nH+]4)CC3)c12 ZINC000570894795 567520664 /nfs/dbraw/zinc/52/06/64/567520664.db2.gz ZMKZMDSQSBRDRW-UHFFFAOYSA-N 2 2 376.233 3.186 20 0 GGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479286504 567521602 /nfs/dbraw/zinc/52/16/02/567521602.db2.gz RHFQHWNJCOWFEA-HZMBPMFUSA-N 2 2 381.236 3.185 20 0 GGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479286504 567521604 /nfs/dbraw/zinc/52/16/04/567521604.db2.gz RHFQHWNJCOWFEA-HZMBPMFUSA-N 2 2 381.236 3.185 20 0 GGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479286506 567521617 /nfs/dbraw/zinc/52/16/17/567521617.db2.gz RHFQHWNJCOWFEA-QMTHXVAHSA-N 2 2 381.236 3.185 20 0 GGADLP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479286506 567521621 /nfs/dbraw/zinc/52/16/21/567521621.db2.gz RHFQHWNJCOWFEA-QMTHXVAHSA-N 2 2 381.236 3.185 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNc2ncc(Br)c3ccsc32)CC1 ZINC000663692709 567522576 /nfs/dbraw/zinc/52/25/76/567522576.db2.gz WPWBRUUBWAHTAX-UHFFFAOYSA-N 2 2 383.359 3.497 20 0 GGADLP Cc1nc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Br)c(C)[nH+]1 ZINC000663725894 567525744 /nfs/dbraw/zinc/52/57/44/567525744.db2.gz FSYIWGVRPXPJQU-GJZGRUSLSA-N 2 2 383.334 3.036 20 0 GGADLP Brc1cccc(OCCSCC[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000594924374 567526965 /nfs/dbraw/zinc/52/69/65/567526965.db2.gz MZTIOTUUBIJICR-UHFFFAOYSA-N 2 2 396.354 3.494 20 0 GGADLP C[C@@H](C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000479358511 567527653 /nfs/dbraw/zinc/52/76/53/567527653.db2.gz JFGRJHZSFCVZEZ-RYUDHWBXSA-N 2 2 394.368 3.023 20 0 GGADLP Clc1ccc(I)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c1 ZINC000594948225 567528242 /nfs/dbraw/zinc/52/82/42/567528242.db2.gz XHZHNUUVFWDIHJ-LBPRGKRZSA-N 2 2 387.652 3.246 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCC[C@@H]([S@](C)=O)C3)c[nH+]c12 ZINC000594958997 567528366 /nfs/dbraw/zinc/52/83/66/567528366.db2.gz BURBLJBYOYKDNI-QCPUYCGNSA-N 2 2 384.343 3.185 20 0 GGADLP C[N@@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@H]2C1 ZINC000529541433 567529537 /nfs/dbraw/zinc/52/95/37/567529537.db2.gz LWBGYXCMKCPBCN-AAEUAGOBSA-N 2 2 381.343 3.427 20 0 GGADLP C[N@H+]1CC[C@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@H]2C1 ZINC000529541433 567529543 /nfs/dbraw/zinc/52/95/43/567529543.db2.gz LWBGYXCMKCPBCN-AAEUAGOBSA-N 2 2 381.343 3.427 20 0 GGADLP C[NH+]1CC[C@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@H]2C1 ZINC000529541433 567529546 /nfs/dbraw/zinc/52/95/46/567529546.db2.gz LWBGYXCMKCPBCN-AAEUAGOBSA-N 2 2 381.343 3.427 20 0 GGADLP C[NH+]1CC[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@H]2C1 ZINC000529541433 567529551 /nfs/dbraw/zinc/52/95/51/567529551.db2.gz LWBGYXCMKCPBCN-AAEUAGOBSA-N 2 2 381.343 3.427 20 0 GGADLP Cc1nc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c(Br)c(C)[nH+]1 ZINC000663786945 567530391 /nfs/dbraw/zinc/53/03/91/567530391.db2.gz CTCPPOYYQPCJOA-INIZCTEOSA-N 2 2 391.313 3.035 20 0 GGADLP Cc1nc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c(Br)c(C)[nH+]1 ZINC000663786945 567530397 /nfs/dbraw/zinc/53/03/97/567530397.db2.gz CTCPPOYYQPCJOA-INIZCTEOSA-N 2 2 391.313 3.035 20 0 GGADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529587063 567533711 /nfs/dbraw/zinc/53/37/11/567533711.db2.gz URHILCAICBCNEA-INIZCTEOSA-N 2 2 381.343 3.428 20 0 GGADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529587063 567533714 /nfs/dbraw/zinc/53/37/14/567533714.db2.gz URHILCAICBCNEA-INIZCTEOSA-N 2 2 381.343 3.428 20 0 GGADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529587063 567533719 /nfs/dbraw/zinc/53/37/19/567533719.db2.gz URHILCAICBCNEA-INIZCTEOSA-N 2 2 381.343 3.428 20 0 GGADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529587063 567533721 /nfs/dbraw/zinc/53/37/21/567533721.db2.gz URHILCAICBCNEA-INIZCTEOSA-N 2 2 381.343 3.428 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCCc4nn(C)cc43)[nH+]c12 ZINC000479454413 567536274 /nfs/dbraw/zinc/53/62/74/567536274.db2.gz OGEQDPZPAPTJMF-INIZCTEOSA-N 2 2 388.313 3.348 20 0 GGADLP Ic1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000595031918 567537178 /nfs/dbraw/zinc/53/71/78/567537178.db2.gz FDPJDKLEPGJYAN-DZGCQCFKSA-N 2 2 379.245 3.080 20 0 GGADLP Ic1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000595031924 567537413 /nfs/dbraw/zinc/53/74/13/567537413.db2.gz FDPJDKLEPGJYAN-UKRRQHHQSA-N 2 2 379.245 3.080 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000551805985 567538178 /nfs/dbraw/zinc/53/81/78/567538178.db2.gz GJVVMYNVZJYMAZ-CQSZACIVSA-N 2 2 383.330 3.399 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000551805985 567538183 /nfs/dbraw/zinc/53/81/83/567538183.db2.gz GJVVMYNVZJYMAZ-CQSZACIVSA-N 2 2 383.330 3.399 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000551805985 567538186 /nfs/dbraw/zinc/53/81/86/567538186.db2.gz GJVVMYNVZJYMAZ-CQSZACIVSA-N 2 2 383.330 3.399 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000551805985 567538191 /nfs/dbraw/zinc/53/81/91/567538191.db2.gz GJVVMYNVZJYMAZ-CQSZACIVSA-N 2 2 383.330 3.399 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000571175773 567543210 /nfs/dbraw/zinc/54/32/10/567543210.db2.gz MNHWAYZAVRZCAI-JSGCOSHPSA-N 2 2 381.307 3.394 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000571175773 567543219 /nfs/dbraw/zinc/54/32/19/567543219.db2.gz MNHWAYZAVRZCAI-JSGCOSHPSA-N 2 2 381.307 3.394 20 0 GGADLP CCC[C@H]([NH2+]C(C)C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000504873693 567550394 /nfs/dbraw/zinc/55/03/94/567550394.db2.gz XQDQNUBCRQWKLB-INIZCTEOSA-N 2 2 395.345 3.231 20 0 GGADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1ccc(Cl)c(Cl)c1 ZINC000644518548 567554454 /nfs/dbraw/zinc/55/44/54/567554454.db2.gz QYXIHGFTLSNMKV-CQSZACIVSA-N 2 2 384.307 3.098 20 0 GGADLP O=C(CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc(Br)cc1 ZINC000644549789 567558354 /nfs/dbraw/zinc/55/83/54/567558354.db2.gz KSWHCKKVQLXCGM-MRXNPFEDSA-N 2 2 380.330 3.384 20 0 GGADLP O=C(CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc(Br)cc1 ZINC000644549789 567558358 /nfs/dbraw/zinc/55/83/58/567558358.db2.gz KSWHCKKVQLXCGM-MRXNPFEDSA-N 2 2 380.330 3.384 20 0 GGADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000479785307 567559131 /nfs/dbraw/zinc/55/91/31/567559131.db2.gz YTHURPPJTYOLQG-TXEJJXNPSA-N 2 2 394.338 3.232 20 0 GGADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000479785307 567559135 /nfs/dbraw/zinc/55/91/35/567559135.db2.gz YTHURPPJTYOLQG-TXEJJXNPSA-N 2 2 394.338 3.232 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571404162 567559525 /nfs/dbraw/zinc/55/95/25/567559525.db2.gz KQOIDCUGEYTBHF-QWHCGFSZSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571404162 567559531 /nfs/dbraw/zinc/55/95/31/567559531.db2.gz KQOIDCUGEYTBHF-QWHCGFSZSA-N 2 2 386.323 3.008 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(Br)c1 ZINC000552110678 567560171 /nfs/dbraw/zinc/56/01/71/567560171.db2.gz ZDTCZLRENZFKPR-SFHVURJKSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(Br)c1 ZINC000552110678 567560176 /nfs/dbraw/zinc/56/01/76/567560176.db2.gz ZDTCZLRENZFKPR-SFHVURJKSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(Br)c1 ZINC000552110678 567560183 /nfs/dbraw/zinc/56/01/83/567560183.db2.gz ZDTCZLRENZFKPR-SFHVURJKSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Br)c1 ZINC000552110678 567560188 /nfs/dbraw/zinc/56/01/88/567560188.db2.gz ZDTCZLRENZFKPR-SFHVURJKSA-N 2 2 381.314 3.153 20 0 GGADLP Brc1ccc2[nH+]ccc(NCc3ccc(N4CCOCC4)[nH+]c3)c2c1 ZINC000479865334 567564105 /nfs/dbraw/zinc/56/41/05/567564105.db2.gz QCAYNMQYQKXKKL-UHFFFAOYSA-N 2 2 399.292 3.263 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000505371629 567573096 /nfs/dbraw/zinc/57/30/96/567573096.db2.gz WQVZBTLVZWEJTJ-JLSDUUJJSA-N 2 2 394.357 3.185 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000505371629 567573099 /nfs/dbraw/zinc/57/30/99/567573099.db2.gz WQVZBTLVZWEJTJ-JLSDUUJJSA-N 2 2 394.357 3.185 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000505424305 567575855 /nfs/dbraw/zinc/57/58/55/567575855.db2.gz ZQTQQEMOMDMUOK-SFHVURJKSA-N 2 2 396.373 3.386 20 0 GGADLP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1c(Cl)cccc1Cl ZINC000530237519 567585925 /nfs/dbraw/zinc/58/59/25/567585925.db2.gz DWNRNQRRFXBUAV-AWEZNQCLSA-N 2 2 386.323 3.022 20 0 GGADLP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1Cl ZINC000530239331 567585976 /nfs/dbraw/zinc/58/59/76/567585976.db2.gz RXNUPMQWYPUUFN-HNNXBMFYSA-N 2 2 386.323 3.022 20 0 GGADLP Clc1cc(Cl)c2nc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2c1 ZINC000530239870 567586231 /nfs/dbraw/zinc/58/62/31/567586231.db2.gz IMDJCKIHANPYMW-INIZCTEOSA-N 2 2 383.323 3.232 20 0 GGADLP CSCCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000439465487 567589431 /nfs/dbraw/zinc/58/94/31/567589431.db2.gz FKYIVINQLKAHJL-SFHVURJKSA-N 2 2 383.989 3.278 20 0 GGADLP CSCCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000439465487 567589433 /nfs/dbraw/zinc/58/94/33/567589433.db2.gz FKYIVINQLKAHJL-SFHVURJKSA-N 2 2 383.989 3.278 20 0 GGADLP COC(=O)[C@@H](c1ccccc1Br)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000595895580 567590363 /nfs/dbraw/zinc/59/03/63/567590363.db2.gz PQLNKROWVDESLC-DLBZAZTESA-N 2 2 381.314 3.127 20 0 GGADLP COC(=O)[C@H](c1ccccc1Br)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000595895582 567590511 /nfs/dbraw/zinc/59/05/11/567590511.db2.gz PQLNKROWVDESLC-IRXDYDNUSA-N 2 2 381.314 3.127 20 0 GGADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000572012217 567606814 /nfs/dbraw/zinc/60/68/14/567606814.db2.gz UIWVVWUEFKCZRW-HNNXBMFYSA-N 2 2 375.340 3.287 20 0 GGADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000572012217 567606821 /nfs/dbraw/zinc/60/68/21/567606821.db2.gz UIWVVWUEFKCZRW-HNNXBMFYSA-N 2 2 375.340 3.287 20 0 GGADLP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000530630261 567614871 /nfs/dbraw/zinc/61/48/71/567614871.db2.gz LILLYEAXECYFIX-UHFFFAOYSA-N 2 2 382.346 3.440 20 0 GGADLP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000530630261 567614875 /nfs/dbraw/zinc/61/48/75/567614875.db2.gz LILLYEAXECYFIX-UHFFFAOYSA-N 2 2 382.346 3.440 20 0 GGADLP CCOC(=O)C[N@H+](CCc1c[nH+]cn1C)[C@H](C)c1cccc(Br)c1 ZINC000459378235 567618923 /nfs/dbraw/zinc/61/89/23/567618923.db2.gz QEYFOXKUAVUBHV-CQSZACIVSA-N 2 2 394.313 3.351 20 0 GGADLP CCOC(=O)C[N@@H+](CCc1c[nH+]cn1C)[C@H](C)c1cccc(Br)c1 ZINC000459378235 567618934 /nfs/dbraw/zinc/61/89/34/567618934.db2.gz QEYFOXKUAVUBHV-CQSZACIVSA-N 2 2 394.313 3.351 20 0 GGADLP Cn1c[nH+]cc1CC[N@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000459426877 567623954 /nfs/dbraw/zinc/62/39/54/567623954.db2.gz ITJIPXGOLIVZIP-UHFFFAOYSA-N 2 2 378.314 3.406 20 0 GGADLP C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000572241040 567624016 /nfs/dbraw/zinc/62/40/16/567624016.db2.gz ILFOMNOBHDTDOP-QILLFSRXSA-N 2 2 394.357 3.090 20 0 GGADLP Cn1c[nH+]cc1CC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000459426877 567623958 /nfs/dbraw/zinc/62/39/58/567623958.db2.gz ITJIPXGOLIVZIP-UHFFFAOYSA-N 2 2 378.314 3.406 20 0 GGADLP C[NH+](C)[C@]1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCSC1 ZINC000530883083 567628721 /nfs/dbraw/zinc/62/87/21/567628721.db2.gz LFWPZXFEWKJYQF-KRWDZBQOSA-N 2 2 383.355 3.252 20 0 GGADLP Cc1[nH+]cc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)n1C ZINC000572304176 567630287 /nfs/dbraw/zinc/63/02/87/567630287.db2.gz HQPJSBPSPWMVRQ-UHFFFAOYSA-N 2 2 377.330 3.245 20 0 GGADLP O=S(=O)(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000572405401 567636977 /nfs/dbraw/zinc/63/69/77/567636977.db2.gz DMFXUIPDNUEVHJ-ZIAGYGMSSA-N 2 2 391.364 3.089 20 0 GGADLP O=S(=O)(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000572405401 567636980 /nfs/dbraw/zinc/63/69/80/567636980.db2.gz DMFXUIPDNUEVHJ-ZIAGYGMSSA-N 2 2 391.364 3.089 20 0 GGADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC000531044054 567638410 /nfs/dbraw/zinc/63/84/10/567638410.db2.gz KUFOGKBKOOLHTM-HXUWFJFHSA-N 2 2 389.337 3.484 20 0 GGADLP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC000531044054 567638416 /nfs/dbraw/zinc/63/84/16/567638416.db2.gz KUFOGKBKOOLHTM-HXUWFJFHSA-N 2 2 389.337 3.484 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000531143556 567643138 /nfs/dbraw/zinc/64/31/38/567643138.db2.gz NJVYVAZLBOXEIF-DAYGRLMNSA-N 2 2 396.373 3.431 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000531143556 567643143 /nfs/dbraw/zinc/64/31/43/567643143.db2.gz NJVYVAZLBOXEIF-DAYGRLMNSA-N 2 2 396.373 3.431 20 0 GGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000531143556 567643148 /nfs/dbraw/zinc/64/31/48/567643148.db2.gz NJVYVAZLBOXEIF-DAYGRLMNSA-N 2 2 396.373 3.431 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000531143556 567643153 /nfs/dbraw/zinc/64/31/53/567643153.db2.gz NJVYVAZLBOXEIF-DAYGRLMNSA-N 2 2 396.373 3.431 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000531141121 567643257 /nfs/dbraw/zinc/64/32/57/567643257.db2.gz YJPXDSFWJGFYNI-DOTOQJQBSA-N 2 2 396.373 3.212 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000531141121 567643260 /nfs/dbraw/zinc/64/32/60/567643260.db2.gz YJPXDSFWJGFYNI-DOTOQJQBSA-N 2 2 396.373 3.212 20 0 GGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000531141121 567643263 /nfs/dbraw/zinc/64/32/63/567643263.db2.gz YJPXDSFWJGFYNI-DOTOQJQBSA-N 2 2 396.373 3.212 20 0 GGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000531141121 567643265 /nfs/dbraw/zinc/64/32/65/567643265.db2.gz YJPXDSFWJGFYNI-DOTOQJQBSA-N 2 2 396.373 3.212 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000531143565 567643333 /nfs/dbraw/zinc/64/33/33/567643333.db2.gz NJVYVAZLBOXEIF-VKJFTORMSA-N 2 2 396.373 3.431 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000531143565 567643338 /nfs/dbraw/zinc/64/33/38/567643338.db2.gz NJVYVAZLBOXEIF-VKJFTORMSA-N 2 2 396.373 3.431 20 0 GGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000531143565 567643343 /nfs/dbraw/zinc/64/33/43/567643343.db2.gz NJVYVAZLBOXEIF-VKJFTORMSA-N 2 2 396.373 3.431 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000531143565 567643346 /nfs/dbraw/zinc/64/33/46/567643346.db2.gz NJVYVAZLBOXEIF-VKJFTORMSA-N 2 2 396.373 3.431 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000531143564 567643388 /nfs/dbraw/zinc/64/33/88/567643388.db2.gz NJVYVAZLBOXEIF-RKVPGOIHSA-N 2 2 396.373 3.431 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000531143564 567643393 /nfs/dbraw/zinc/64/33/93/567643393.db2.gz NJVYVAZLBOXEIF-RKVPGOIHSA-N 2 2 396.373 3.431 20 0 GGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000531143564 567643397 /nfs/dbraw/zinc/64/33/97/567643397.db2.gz NJVYVAZLBOXEIF-RKVPGOIHSA-N 2 2 396.373 3.431 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C ZINC000531143564 567643401 /nfs/dbraw/zinc/64/34/01/567643401.db2.gz NJVYVAZLBOXEIF-RKVPGOIHSA-N 2 2 396.373 3.431 20 0 GGADLP COc1cc(Br)c(C[N@H+](C)CCCn2cc[nH+]c2C)c(OC)c1 ZINC000572888374 567672763 /nfs/dbraw/zinc/67/27/63/567672763.db2.gz CANRJDWIAKLMHG-UHFFFAOYSA-N 2 2 382.302 3.493 20 0 GGADLP COc1cc(Br)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c(OC)c1 ZINC000572888374 567672770 /nfs/dbraw/zinc/67/27/70/567672770.db2.gz CANRJDWIAKLMHG-UHFFFAOYSA-N 2 2 382.302 3.493 20 0 GGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000507320561 567674311 /nfs/dbraw/zinc/67/43/11/567674311.db2.gz ZBYMFDRKLJEGTL-UHFFFAOYSA-N 2 2 386.367 3.457 20 0 GGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)CC1 ZINC000507320561 567674317 /nfs/dbraw/zinc/67/43/17/567674317.db2.gz ZBYMFDRKLJEGTL-UHFFFAOYSA-N 2 2 386.367 3.457 20 0 GGADLP Cc1cc(Br)cn2c(CN3C[C@H]([NH+]4CCCC4)C[C@@H]3C)c[nH+]c12 ZINC000573018396 567681984 /nfs/dbraw/zinc/68/19/84/567681984.db2.gz MVKCPSFMYGJABW-GOEBONIOSA-N 2 2 377.330 3.464 20 0 GGADLP Cc1cc(Br)cn2c(CN3C[C@H]([NH+]4CCCC4)C[C@H]3C)c[nH+]c12 ZINC000573018395 567682371 /nfs/dbraw/zinc/68/23/71/567682371.db2.gz MVKCPSFMYGJABW-GDBMZVCRSA-N 2 2 377.330 3.464 20 0 GGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000623089288 567684599 /nfs/dbraw/zinc/68/45/99/567684599.db2.gz AGTSHOOUDFMNKK-UHFFFAOYSA-N 2 2 389.284 3.451 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000573091622 567687483 /nfs/dbraw/zinc/68/74/83/567687483.db2.gz AOBYIZDAZHEDEV-CXMBCZLWSA-N 2 2 386.323 3.149 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000597228415 567689122 /nfs/dbraw/zinc/68/91/22/567689122.db2.gz MUBWLUKPLFYKGT-MRXNPFEDSA-N 2 2 389.323 3.034 20 0 GGADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000573132712 567690440 /nfs/dbraw/zinc/69/04/40/567690440.db2.gz GZQCNIYGKKUUJB-UHFFFAOYSA-N 2 2 395.320 3.072 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)CC12CCOCC2 ZINC000573206707 567696634 /nfs/dbraw/zinc/69/66/34/567696634.db2.gz KLLWSKYZABAUDB-SNVBAGLBSA-N 2 2 379.751 3.351 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)CC12CCOCC2 ZINC000573206707 567696635 /nfs/dbraw/zinc/69/66/35/567696635.db2.gz KLLWSKYZABAUDB-SNVBAGLBSA-N 2 2 379.751 3.351 20 0 GGADLP Oc1ccc(Br)c(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000507713367 567701119 /nfs/dbraw/zinc/70/11/19/567701119.db2.gz JEZKWNFFZMGOND-UHFFFAOYSA-N 2 2 397.357 3.479 20 0 GGADLP COc1ncccc1CC[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000573291217 567702336 /nfs/dbraw/zinc/70/23/36/567702336.db2.gz HCFMTJLIUVOMJL-UHFFFAOYSA-N 2 2 375.270 3.141 20 0 GGADLP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ncc1Br ZINC000623341867 567702712 /nfs/dbraw/zinc/70/27/12/567702712.db2.gz VOPPBFFVDMUFRC-UHFFFAOYSA-N 2 2 390.325 3.275 20 0 GGADLP COc1cc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc(Br)c1OC(F)F ZINC000666768522 567703517 /nfs/dbraw/zinc/70/35/17/567703517.db2.gz IJIGJFXGRYGHTH-NSHDSACASA-N 2 2 379.245 3.291 20 0 GGADLP C[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758135 567706553 /nfs/dbraw/zinc/70/65/53/567706553.db2.gz OAHNPYZTAUNIPV-ZACCUICWSA-N 2 2 383.315 3.275 20 0 GGADLP C[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758135 567706558 /nfs/dbraw/zinc/70/65/58/567706558.db2.gz OAHNPYZTAUNIPV-ZACCUICWSA-N 2 2 383.315 3.275 20 0 GGADLP COc1c(Br)cc(Br)cc1C[N@H+](C)C1CC([NH3+])C1 ZINC000573445295 567714461 /nfs/dbraw/zinc/71/44/61/567714461.db2.gz JREHXNGZEBWYMB-UHFFFAOYSA-N 2 2 378.108 3.142 20 0 GGADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)C1CC([NH3+])C1 ZINC000573445295 567714463 /nfs/dbraw/zinc/71/44/63/567714463.db2.gz JREHXNGZEBWYMB-UHFFFAOYSA-N 2 2 378.108 3.142 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000532459472 567716622 /nfs/dbraw/zinc/71/66/22/567716622.db2.gz TUUVVSWFPPJYEZ-GJZGRUSLSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000532459472 567716623 /nfs/dbraw/zinc/71/66/23/567716623.db2.gz TUUVVSWFPPJYEZ-GJZGRUSLSA-N 2 2 382.346 3.488 20 0 GGADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1cccc(Cl)c1 ZINC000532455741 567716708 /nfs/dbraw/zinc/71/67/08/567716708.db2.gz XZPIZGUVSPDECG-UHFFFAOYSA-N 2 2 377.941 3.178 20 0 GGADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccsc2)CC1)Cc1cccc(Cl)c1 ZINC000532455741 567716711 /nfs/dbraw/zinc/71/67/11/567716711.db2.gz XZPIZGUVSPDECG-UHFFFAOYSA-N 2 2 377.941 3.178 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532449326 567716829 /nfs/dbraw/zinc/71/68/29/567716829.db2.gz KEEYDFJUGCKYQH-CQSZACIVSA-N 2 2 379.302 3.433 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000532446655 567717085 /nfs/dbraw/zinc/71/70/85/567717085.db2.gz GHHMPGBGRKLURU-OAHLLOKOSA-N 2 2 382.346 3.488 20 0 GGADLP Brc1cnc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000666995145 567717213 /nfs/dbraw/zinc/71/72/13/567717213.db2.gz DVNIKVHXCLFWBW-LLVKDONJSA-N 2 2 389.135 3.371 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532542139 567721360 /nfs/dbraw/zinc/72/13/60/567721360.db2.gz NOBIYQLXNUDPEP-AHIWAGSCSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532542139 567721364 /nfs/dbraw/zinc/72/13/64/567721364.db2.gz NOBIYQLXNUDPEP-AHIWAGSCSA-N 2 2 380.330 3.239 20 0 GGADLP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000532538180 567722103 /nfs/dbraw/zinc/72/21/03/567722103.db2.gz JXZADGYFAYVIDL-QGZVFWFLSA-N 2 2 382.346 3.028 20 0 GGADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000532538180 567722109 /nfs/dbraw/zinc/72/21/09/567722109.db2.gz JXZADGYFAYVIDL-QGZVFWFLSA-N 2 2 382.346 3.028 20 0 GGADLP Fc1c(Br)ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1F ZINC000623572539 567723210 /nfs/dbraw/zinc/72/32/10/567723210.db2.gz DKKIDQBOHFFBTH-CYBMUJFWSA-N 2 2 375.257 3.070 20 0 GGADLP O=C(C[N@H+](Cc1cccs1)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000532750142 567732163 /nfs/dbraw/zinc/73/21/63/567732163.db2.gz PSFAQEJSTALDJD-UHFFFAOYSA-N 2 2 375.563 3.118 20 0 GGADLP O=C(C[N@@H+](Cc1cccs1)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000532750142 567732168 /nfs/dbraw/zinc/73/21/68/567732168.db2.gz PSFAQEJSTALDJD-UHFFFAOYSA-N 2 2 375.563 3.118 20 0 GGADLP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000532763492 567733604 /nfs/dbraw/zinc/73/36/04/567733604.db2.gz NCHKOALVMZZVHW-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cc(F)ccc1Br ZINC000573879653 567742573 /nfs/dbraw/zinc/74/25/73/567742573.db2.gz PPBWMSUAKYMGCE-UHFFFAOYSA-N 2 2 382.277 3.213 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000554960618 567759580 /nfs/dbraw/zinc/75/95/80/567759580.db2.gz PKPDIHDYVMJRDV-UHFFFAOYSA-N 2 2 379.913 3.265 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533238862 567760485 /nfs/dbraw/zinc/76/04/85/567760485.db2.gz ZSFYBPCKOFNNDW-GOSISDBHSA-N 2 2 375.563 3.291 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533238862 567760487 /nfs/dbraw/zinc/76/04/87/567760487.db2.gz ZSFYBPCKOFNNDW-GOSISDBHSA-N 2 2 375.563 3.291 20 0 GGADLP COCCC[NH+]1CCC(Nc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443511965 567763466 /nfs/dbraw/zinc/76/34/66/567763466.db2.gz SAFDMZAGXMHLLE-UHFFFAOYSA-N 2 2 396.304 3.471 20 0 GGADLP CCOCC[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443516073 567763508 /nfs/dbraw/zinc/76/35/08/567763508.db2.gz DDOPGSFOOHRRHJ-UHFFFAOYSA-N 2 2 382.277 3.295 20 0 GGADLP C[N@H+](CCCO)C1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443511170 567763833 /nfs/dbraw/zinc/76/38/33/567763833.db2.gz PWIJVOCBRJHAEZ-UHFFFAOYSA-N 2 2 396.304 3.419 20 0 GGADLP C[N@@H+](CCCO)C1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443511170 567763837 /nfs/dbraw/zinc/76/38/37/567763837.db2.gz PWIJVOCBRJHAEZ-UHFFFAOYSA-N 2 2 396.304 3.419 20 0 GGADLP C[C@H]([C@H](C)Nc1cc[nH+]c2c(Br)ccc(F)c12)[NH+]1CCOCC1 ZINC000443514120 567764234 /nfs/dbraw/zinc/76/42/34/567764234.db2.gz FGBPCNPYIZIPHU-NWDGAFQWSA-N 2 2 382.277 3.079 20 0 GGADLP CC[N@H+](CCc1cccs1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533397727 567767198 /nfs/dbraw/zinc/76/71/98/567767198.db2.gz BHIGQTUTHRDJQR-UHFFFAOYSA-N 2 2 377.579 3.018 20 0 GGADLP CC[N@@H+](CCc1cccs1)CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533397727 567767202 /nfs/dbraw/zinc/76/72/02/567767202.db2.gz BHIGQTUTHRDJQR-UHFFFAOYSA-N 2 2 377.579 3.018 20 0 GGADLP Cc1c(Br)cncc1CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000667688414 567768255 /nfs/dbraw/zinc/76/82/55/567768255.db2.gz RCLZCVHXTRJSJJ-UHFFFAOYSA-N 2 2 395.389 3.143 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@H]([NH+]4CCCC4)[C@H]3C)c[nH+]c12 ZINC000574606716 567786838 /nfs/dbraw/zinc/78/68/38/567786838.db2.gz ODWBGCZFQGZUQT-RHSMWYFYSA-N 2 2 377.330 3.464 20 0 GGADLP CSCc1cnc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000555537092 567787736 /nfs/dbraw/zinc/78/77/36/567787736.db2.gz JZYPSLYABKIOFY-SFHVURJKSA-N 2 2 376.595 3.084 20 0 GGADLP Brc1ccc(-n2cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cn2)cc1 ZINC000647483057 567788521 /nfs/dbraw/zinc/78/85/21/567788521.db2.gz VXRQDHVYLAAXDE-UHFFFAOYSA-N 2 2 375.314 3.351 20 0 GGADLP Brc1ccc(-n2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cn2)cc1 ZINC000647483057 567788522 /nfs/dbraw/zinc/78/85/22/567788522.db2.gz VXRQDHVYLAAXDE-UHFFFAOYSA-N 2 2 375.314 3.351 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000555598226 567791475 /nfs/dbraw/zinc/79/14/75/567791475.db2.gz VKIJXBHLYFSNDZ-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000555598226 567791480 /nfs/dbraw/zinc/79/14/80/567791480.db2.gz VKIJXBHLYFSNDZ-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000555598226 567791485 /nfs/dbraw/zinc/79/14/85/567791485.db2.gz VKIJXBHLYFSNDZ-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000555598226 567791488 /nfs/dbraw/zinc/79/14/88/567791488.db2.gz VKIJXBHLYFSNDZ-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000574760461 567795634 /nfs/dbraw/zinc/79/56/34/567795634.db2.gz UJVHYXAKWYJCPB-INIZCTEOSA-N 2 2 379.957 3.270 20 0 GGADLP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000574760461 567795637 /nfs/dbraw/zinc/79/56/37/567795637.db2.gz UJVHYXAKWYJCPB-INIZCTEOSA-N 2 2 379.957 3.270 20 0 GGADLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Br)c(F)c1 ZINC000574803849 567798562 /nfs/dbraw/zinc/79/85/62/567798562.db2.gz SIBUHZVPGUCPHQ-SNVBAGLBSA-N 2 2 382.281 3.024 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000534058681 567798718 /nfs/dbraw/zinc/79/87/18/567798718.db2.gz FCEWZVHMKKQCEN-SUMWQHHRSA-N 2 2 385.321 3.258 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000534058679 567798723 /nfs/dbraw/zinc/79/87/23/567798723.db2.gz FCEWZVHMKKQCEN-DYVFJYSZSA-N 2 2 385.321 3.258 20 0 GGADLP O[C@H]1CC[N@@H+](CCNc2cc(C3CC3)[nH+]c3c(Br)cccc23)C1 ZINC000624775841 567799114 /nfs/dbraw/zinc/79/91/14/567799114.db2.gz HGJKIIUWVQPGSG-ZDUSSCGKSA-N 2 2 376.298 3.353 20 0 GGADLP Brc1ccc(Cc2noc([C@@H]3CCC[N@@H+]3C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000647884961 567805315 /nfs/dbraw/zinc/80/53/15/567805315.db2.gz QPOJSACQAGVRSS-ZBFHGGJFSA-N 2 2 391.313 3.169 20 0 GGADLP Brc1ccc(Cc2noc([C@@H]3CCC[N@H+]3C[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000647884961 567805316 /nfs/dbraw/zinc/80/53/16/567805316.db2.gz QPOJSACQAGVRSS-ZBFHGGJFSA-N 2 2 391.313 3.169 20 0 GGADLP Cc1sc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)nc1-c1ccc(Cl)cc1 ZINC000647905537 567805796 /nfs/dbraw/zinc/80/57/96/567805796.db2.gz DDWNCXRCJBSGJG-YPMHNXCESA-N 2 2 378.929 3.380 20 0 GGADLP Cc1sc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)nc1-c1ccc(Cl)cc1 ZINC000647905537 567805800 /nfs/dbraw/zinc/80/58/00/567805800.db2.gz DDWNCXRCJBSGJG-YPMHNXCESA-N 2 2 378.929 3.380 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647975218 567808996 /nfs/dbraw/zinc/80/89/96/567808996.db2.gz QWEMDKAOEGCXIL-LSDHHAIUSA-N 2 2 380.330 3.099 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647975218 567808999 /nfs/dbraw/zinc/80/89/99/567808999.db2.gz QWEMDKAOEGCXIL-LSDHHAIUSA-N 2 2 380.330 3.099 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647984607 567810123 /nfs/dbraw/zinc/81/01/23/567810123.db2.gz RLLKRNKDIABKMQ-JGFGOQIWSA-N 2 2 386.323 3.149 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000534579512 567814427 /nfs/dbraw/zinc/81/44/27/567814427.db2.gz SHPLHGQGXUQEDU-LBPRGKRZSA-N 2 2 388.269 3.222 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000534579512 567814429 /nfs/dbraw/zinc/81/44/29/567814429.db2.gz SHPLHGQGXUQEDU-LBPRGKRZSA-N 2 2 388.269 3.222 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000534579917 567814475 /nfs/dbraw/zinc/81/44/75/567814475.db2.gz GUWGGJKUNITOEG-JTQLQIEISA-N 2 2 394.298 3.284 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000534579917 567814476 /nfs/dbraw/zinc/81/44/76/567814476.db2.gz GUWGGJKUNITOEG-JTQLQIEISA-N 2 2 394.298 3.284 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)c1 ZINC000023717681 570369925 /nfs/dbraw/zinc/36/99/25/570369925.db2.gz TYXUECYFVCKMFU-NRFANRHFSA-N 2 2 396.535 3.252 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)cc2)C[C@H](C)O1 ZINC000025112024 570406592 /nfs/dbraw/zinc/40/65/92/570406592.db2.gz JFTBITHXCDRIIT-CALCHBBNSA-N 2 2 391.475 3.129 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)cc2)C[C@H](C)O1 ZINC000025112024 570406596 /nfs/dbraw/zinc/40/65/96/570406596.db2.gz JFTBITHXCDRIIT-CALCHBBNSA-N 2 2 391.475 3.129 20 0 GGADLP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)cc2)C[C@H](C)O1 ZINC000025112035 570406605 /nfs/dbraw/zinc/40/66/05/570406605.db2.gz JFTBITHXCDRIIT-IRXDYDNUSA-N 2 2 391.475 3.129 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(-n4cc[nH+]c4)nc3)cc2)C[C@@H](C)O1 ZINC000025112017 570406700 /nfs/dbraw/zinc/40/67/00/570406700.db2.gz JFTBITHXCDRIIT-IAGOWNOFSA-N 2 2 391.475 3.129 20 0 GGADLP Fc1ccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000057995772 570706429 /nfs/dbraw/zinc/70/64/29/570706429.db2.gz XMHFRDWRNGKYCX-JOCHJYFZSA-N 2 2 380.467 3.175 20 0 GGADLP Fc1ccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000057995770 570706448 /nfs/dbraw/zinc/70/64/48/570706448.db2.gz XMHFRDWRNGKYCX-QFIPXVFZSA-N 2 2 380.467 3.175 20 0 GGADLP Cc1cccc2c(NC3CC[NH+](Cc4ccccc4)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737408728 599121478 /nfs/dbraw/zinc/12/14/78/599121478.db2.gz LPUXSJNQCICRBL-UHFFFAOYSA-N 2 2 399.502 3.222 20 0 GGADLP c1ccc(C[N@H+]2CCC[C@H](CNc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000823779883 599502695 /nfs/dbraw/zinc/50/26/95/599502695.db2.gz KGYZRGGKRSQFDF-GOSISDBHSA-N 2 2 399.502 3.161 20 0 GGADLP c1ccc(C[N@@H+]2CCC[C@H](CNc3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)cc1 ZINC000823779883 599502698 /nfs/dbraw/zinc/50/26/98/599502698.db2.gz KGYZRGGKRSQFDF-GOSISDBHSA-N 2 2 399.502 3.161 20 0 GGADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4cccc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000823779423 606160717 /nfs/dbraw/zinc/16/07/17/606160717.db2.gz DBIMWJJXBQLMDX-QHCPKHFHSA-N 2 2 388.519 3.355 20 0 GGADLP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4cccc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000823779423 606160719 /nfs/dbraw/zinc/16/07/19/606160719.db2.gz DBIMWJJXBQLMDX-QHCPKHFHSA-N 2 2 388.519 3.355 20 0 GGADLP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4cccc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000823779423 606160722 /nfs/dbraw/zinc/16/07/22/606160722.db2.gz DBIMWJJXBQLMDX-QHCPKHFHSA-N 2 2 388.519 3.355 20 0 GGADLP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](Cc4cccc(-c5nn[nH]n5)c4)C3)C2)cc1 ZINC000823779423 606160724 /nfs/dbraw/zinc/16/07/24/606160724.db2.gz DBIMWJJXBQLMDX-QHCPKHFHSA-N 2 2 388.519 3.355 20 0 GGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000821809285 606204582 /nfs/dbraw/zinc/20/45/82/606204582.db2.gz NFZZKKLPILLDSJ-APWZRJJASA-N 2 2 392.507 3.018 20 0 GGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000821809285 606204584 /nfs/dbraw/zinc/20/45/84/606204584.db2.gz NFZZKKLPILLDSJ-APWZRJJASA-N 2 2 392.507 3.018 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820761279 606742178 /nfs/dbraw/zinc/74/21/78/606742178.db2.gz WSPAQCYXOBIZIR-HUUCEWRRSA-N 2 2 382.537 3.174 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820761278 606742299 /nfs/dbraw/zinc/74/22/99/606742299.db2.gz WSPAQCYXOBIZIR-GJZGRUSLSA-N 2 2 382.537 3.174 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824907732 608368774 /nfs/dbraw/zinc/36/87/74/608368774.db2.gz JRZILRDELKQNGK-BZUAXINKSA-N 2 2 377.496 3.257 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824907735 608369321 /nfs/dbraw/zinc/36/93/21/608369321.db2.gz JRZILRDELKQNGK-XHSDSOJGSA-N 2 2 377.496 3.257 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824907735 608369323 /nfs/dbraw/zinc/36/93/23/608369323.db2.gz JRZILRDELKQNGK-XHSDSOJGSA-N 2 2 377.496 3.257 20 0 GGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000824136426 608506588 /nfs/dbraw/zinc/50/65/88/608506588.db2.gz QPWRAJUNAOIHMG-AEFFLSMTSA-N 2 2 391.523 3.343 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1Cc1ccccc1 ZINC000824882382 608692546 /nfs/dbraw/zinc/69/25/46/608692546.db2.gz AXKVMOGDQYYNKZ-DOTOQJQBSA-N 2 2 382.537 3.413 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1Cc1ccccc1 ZINC000824882382 608692549 /nfs/dbraw/zinc/69/25/49/608692549.db2.gz AXKVMOGDQYYNKZ-DOTOQJQBSA-N 2 2 382.537 3.413 20 0 GGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC[NH+]1Cc1ccccc1 ZINC000824882382 608692554 /nfs/dbraw/zinc/69/25/54/608692554.db2.gz AXKVMOGDQYYNKZ-DOTOQJQBSA-N 2 2 382.537 3.413 20 0 GGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC[NH+]1Cc1ccccc1 ZINC000824882382 608692557 /nfs/dbraw/zinc/69/25/57/608692557.db2.gz AXKVMOGDQYYNKZ-DOTOQJQBSA-N 2 2 382.537 3.413 20 0 GGADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000826183887 609422948 /nfs/dbraw/zinc/42/29/48/609422948.db2.gz DMTKCKZAELLRLI-CQSZACIVSA-N 2 2 389.463 3.220 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826331171 609424002 /nfs/dbraw/zinc/42/40/02/609424002.db2.gz XTJBIDRCMIOSSF-ZDUSSCGKSA-N 2 2 377.427 3.351 20 0 GGADLP C[C@H]([NH2+]CCCOc1ccc(-c2nn[nH]n2)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824590214 609441303 /nfs/dbraw/zinc/44/13/03/609441303.db2.gz AKQNDSDRBSDFNV-INIZCTEOSA-N 2 2 389.463 3.172 20 0 GGADLP Cc1c2cc(F)ccc2sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000053111966 1406294907 /nfs/dbraw/zinc/29/49/07/1406294907.db2.gz FBJSSCVSMSTCPJ-UHFFFAOYSA-N 2 2 377.529 3.447 20 0 GGADLP Cc1c2cc(F)ccc2sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000053111966 1406294921 /nfs/dbraw/zinc/29/49/21/1406294921.db2.gz FBJSSCVSMSTCPJ-UHFFFAOYSA-N 2 2 377.529 3.447 20 0 GGADLP C[C@H](c1cc(F)ccc1F)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053127027 1406302792 /nfs/dbraw/zinc/30/27/92/1406302792.db2.gz ZIBPPIGYRWFAAQ-MRXNPFEDSA-N 2 2 388.462 3.092 20 0 GGADLP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053127027 1406302803 /nfs/dbraw/zinc/30/28/03/1406302803.db2.gz ZIBPPIGYRWFAAQ-MRXNPFEDSA-N 2 2 388.462 3.092 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H]1CCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053182563 1406317885 /nfs/dbraw/zinc/31/78/85/1406317885.db2.gz QBZIDGLBZKGEEP-QFIPXVFZSA-N 2 2 392.547 3.218 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H]1CCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053182563 1406317892 /nfs/dbraw/zinc/31/78/92/1406317892.db2.gz QBZIDGLBZKGEEP-QFIPXVFZSA-N 2 2 392.547 3.218 20 0 GGADLP C[C@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053233845 1406337849 /nfs/dbraw/zinc/33/78/49/1406337849.db2.gz ZZQIUHKAPUQOBI-QGZVFWFLSA-N 2 2 386.927 3.467 20 0 GGADLP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053233845 1406337864 /nfs/dbraw/zinc/33/78/64/1406337864.db2.gz ZZQIUHKAPUQOBI-QGZVFWFLSA-N 2 2 386.927 3.467 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000053533921 1406430629 /nfs/dbraw/zinc/43/06/29/1406430629.db2.gz QLVOLYBKYRVGHE-SFHVURJKSA-N 2 2 388.537 3.005 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(F)c1 ZINC000053539020 1406433219 /nfs/dbraw/zinc/43/32/19/1406433219.db2.gz UPAWBKRPCLIWDZ-IBGZPJMESA-N 2 2 390.528 3.017 20 0 GGADLP CC(C)(C)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000054397227 1406720284 /nfs/dbraw/zinc/72/02/84/1406720284.db2.gz IAIFVUYEHFKYHU-JOCHJYFZSA-N 2 2 380.536 3.497 20 0 GGADLP Cc1cccc(-n2ccn(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c2=S)c1 ZINC000054518723 1406761118 /nfs/dbraw/zinc/76/11/18/1406761118.db2.gz FHSXWFFPJPFXSZ-UHFFFAOYSA-N 2 2 386.565 3.318 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054726469 1406814641 /nfs/dbraw/zinc/81/46/41/1406814641.db2.gz PIDZAANAWPBBMR-KDURUIRLSA-N 2 2 397.567 3.487 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054726469 1406814645 /nfs/dbraw/zinc/81/46/45/1406814645.db2.gz PIDZAANAWPBBMR-KDURUIRLSA-N 2 2 397.567 3.487 20 0 GGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054804934 1406828525 /nfs/dbraw/zinc/82/85/25/1406828525.db2.gz MIMVFYUYXOYCKP-LJQANCHMSA-N 2 2 397.567 3.284 20 0 GGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054804934 1406828526 /nfs/dbraw/zinc/82/85/26/1406828526.db2.gz MIMVFYUYXOYCKP-LJQANCHMSA-N 2 2 397.567 3.284 20 0 GGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054805791 1406829345 /nfs/dbraw/zinc/82/93/45/1406829345.db2.gz PVJBJRMEZCZEIS-GOSISDBHSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054805791 1406829347 /nfs/dbraw/zinc/82/93/47/1406829347.db2.gz PVJBJRMEZCZEIS-GOSISDBHSA-N 2 2 383.540 3.241 20 0 GGADLP CC(C)[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000008003464 1398788933 /nfs/dbraw/zinc/78/89/33/1398788933.db2.gz IMJDRFNFRPNSGN-HSZRJFAPSA-N 2 2 381.520 3.444 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000015572132 1399172684 /nfs/dbraw/zinc/17/26/84/1399172684.db2.gz BPBJZKRVFIZXNI-HXUWFJFHSA-N 2 2 389.590 3.358 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000015572132 1399172688 /nfs/dbraw/zinc/17/26/88/1399172688.db2.gz BPBJZKRVFIZXNI-HXUWFJFHSA-N 2 2 389.590 3.358 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000015572134 1399172960 /nfs/dbraw/zinc/17/29/60/1399172960.db2.gz BPBJZKRVFIZXNI-FQEVSTJZSA-N 2 2 389.590 3.358 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000015572134 1399172964 /nfs/dbraw/zinc/17/29/64/1399172964.db2.gz BPBJZKRVFIZXNI-FQEVSTJZSA-N 2 2 389.590 3.358 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH+](C)CC1 ZINC000017313875 1399279051 /nfs/dbraw/zinc/27/90/51/1399279051.db2.gz NXPIBESBVXZFAM-UHFFFAOYSA-N 2 2 392.135 3.404 20 0 GGADLP COc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)Cc3ccccc3C)CC2)cc1 ZINC000026198059 1399868578 /nfs/dbraw/zinc/86/85/78/1399868578.db2.gz TUPJGZXZINYFCN-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)Cc3ccccc3C)CC2)cc1 ZINC000026198059 1399868580 /nfs/dbraw/zinc/86/85/80/1399868580.db2.gz TUPJGZXZINYFCN-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)Cc3ccccc3C)CC2)cc1 ZINC000026198059 1399868583 /nfs/dbraw/zinc/86/85/83/1399868583.db2.gz TUPJGZXZINYFCN-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)Cc3ccccc3C)CC2)cc1 ZINC000026198059 1399868585 /nfs/dbraw/zinc/86/85/85/1399868585.db2.gz TUPJGZXZINYFCN-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP C[C@@H]([NH2+]CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1Cl ZINC000026855297 1399942467 /nfs/dbraw/zinc/94/24/67/1399942467.db2.gz PBLZTNCQCKAMMU-QGZVFWFLSA-N 2 2 393.959 3.142 20 0 GGADLP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000029655824 1400330560 /nfs/dbraw/zinc/33/05/60/1400330560.db2.gz KXOWNCVHWRDZMS-UHFFFAOYSA-N 2 2 398.576 3.371 20 0 GGADLP COc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030006188 1400397317 /nfs/dbraw/zinc/39/73/17/1400397317.db2.gz GZIGXMZDYVAGQC-GOSISDBHSA-N 2 2 397.519 3.159 20 0 GGADLP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030006188 1400397319 /nfs/dbraw/zinc/39/73/19/1400397319.db2.gz GZIGXMZDYVAGQC-GOSISDBHSA-N 2 2 397.519 3.159 20 0 GGADLP Cc1cccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000055910076 1407131442 /nfs/dbraw/zinc/13/14/42/1407131442.db2.gz DKTPADMRAWKKBL-NRFANRHFSA-N 2 2 378.520 3.266 20 0 GGADLP Cc1cccc([C@@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000055910076 1407131450 /nfs/dbraw/zinc/13/14/50/1407131450.db2.gz DKTPADMRAWKKBL-NRFANRHFSA-N 2 2 378.520 3.266 20 0 GGADLP CC(C)C[NH+]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043547368 1403783512 /nfs/dbraw/zinc/78/35/12/1403783512.db2.gz DSRUUUBYVOVWPB-INIZCTEOSA-N 2 2 379.574 3.181 20 0 GGADLP CC(C)C[NH+]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043547368 1403783516 /nfs/dbraw/zinc/78/35/16/1403783516.db2.gz DSRUUUBYVOVWPB-INIZCTEOSA-N 2 2 379.574 3.181 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044852464 1404012563 /nfs/dbraw/zinc/01/25/63/1404012563.db2.gz XEYLGPLTJJVVMZ-FQEVSTJZSA-N 2 2 378.476 3.481 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858119 1404013310 /nfs/dbraw/zinc/01/33/10/1404013310.db2.gz BSHWCDRGUDVNDQ-FQEVSTJZSA-N 2 2 382.483 3.097 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H]1c1ccc(F)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044858119 1404013317 /nfs/dbraw/zinc/01/33/17/1404013317.db2.gz BSHWCDRGUDVNDQ-FQEVSTJZSA-N 2 2 382.483 3.097 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045029718 1404039358 /nfs/dbraw/zinc/03/93/58/1404039358.db2.gz JITZQPQYDPWXSL-UHFFFAOYSA-N 2 2 393.535 3.146 20 0 GGADLP COc1cccc([C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+]2CCCC2)c1 ZINC000045052735 1404044476 /nfs/dbraw/zinc/04/44/76/1404044476.db2.gz YBUHYUSSLOOXIC-QFIPXVFZSA-N 2 2 390.487 3.448 20 0 GGADLP C[NH+](C)C[C@@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000045185063 1404069837 /nfs/dbraw/zinc/06/98/37/1404069837.db2.gz GYADVTGZMPFQFA-OAQYLSRUSA-N 2 2 377.492 3.034 20 0 GGADLP C[C@@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045370097 1404108599 /nfs/dbraw/zinc/10/85/99/1404108599.db2.gz QAANXWGUKVSMBR-GOSISDBHSA-N 2 2 377.492 3.365 20 0 GGADLP C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045370097 1404108606 /nfs/dbraw/zinc/10/86/06/1404108606.db2.gz QAANXWGUKVSMBR-GOSISDBHSA-N 2 2 377.492 3.365 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000045410404 1404116623 /nfs/dbraw/zinc/11/66/23/1404116623.db2.gz WHRKJIMZIYGLHO-CALCHBBNSA-N 2 2 386.540 3.044 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000045410404 1404116635 /nfs/dbraw/zinc/11/66/35/1404116635.db2.gz WHRKJIMZIYGLHO-CALCHBBNSA-N 2 2 386.540 3.044 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000045491108 1404131245 /nfs/dbraw/zinc/13/12/45/1404131245.db2.gz YNILOATXODDIRD-OALUTQOASA-N 2 2 387.572 3.239 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532225 1404140486 /nfs/dbraw/zinc/14/04/86/1404140486.db2.gz KZRYTLPICHPYGW-FQEVSTJZSA-N 2 2 397.567 3.428 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532225 1404140497 /nfs/dbraw/zinc/14/04/97/1404140497.db2.gz KZRYTLPICHPYGW-FQEVSTJZSA-N 2 2 397.567 3.428 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000045531478 1404140549 /nfs/dbraw/zinc/14/05/49/1404140549.db2.gz AEGBWKKKSAGJCP-UHFFFAOYSA-N 2 2 395.551 3.134 20 0 GGADLP O=C(NCCNc1cccc[nH+]1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000045571664 1404149160 /nfs/dbraw/zinc/14/91/60/1404149160.db2.gz XAVMTVPSPCMSLE-UHFFFAOYSA-N 2 2 387.915 3.111 20 0 GGADLP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045640089 1404167996 /nfs/dbraw/zinc/16/79/96/1404167996.db2.gz VHHFVCIFGBCNIQ-KRWDZBQOSA-N 2 2 377.492 3.494 20 0 GGADLP C[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2sccc2C1 ZINC000045732568 1404189318 /nfs/dbraw/zinc/18/93/18/1404189318.db2.gz QOCFYUXBKOIHJH-INIZCTEOSA-N 2 2 380.517 3.170 20 0 GGADLP C[C@@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2sccc2C1 ZINC000045732568 1404189323 /nfs/dbraw/zinc/18/93/23/1404189323.db2.gz QOCFYUXBKOIHJH-INIZCTEOSA-N 2 2 380.517 3.170 20 0 GGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000046019581 1404273760 /nfs/dbraw/zinc/27/37/60/1404273760.db2.gz VVKPVWCGONSTJY-LJQANCHMSA-N 2 2 383.540 3.243 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000046019581 1404273769 /nfs/dbraw/zinc/27/37/69/1404273769.db2.gz VVKPVWCGONSTJY-LJQANCHMSA-N 2 2 383.540 3.243 20 0 GGADLP CC1CC[NH+](CCCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000046019577 1404274387 /nfs/dbraw/zinc/27/43/87/1404274387.db2.gz TZOLOSOHHNDOAQ-UHFFFAOYSA-N 2 2 383.540 3.243 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019580 1404274447 /nfs/dbraw/zinc/27/44/47/1404274447.db2.gz HAMAMKISHBHVKD-IBGZPJMESA-N 2 2 383.540 3.385 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019580 1404274454 /nfs/dbraw/zinc/27/44/54/1404274454.db2.gz HAMAMKISHBHVKD-IBGZPJMESA-N 2 2 383.540 3.385 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000046312710 1404360386 /nfs/dbraw/zinc/36/03/86/1404360386.db2.gz PSUIZTREZMFCDS-NRFANRHFSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046426331 1404409899 /nfs/dbraw/zinc/40/98/99/1404409899.db2.gz HCBMZVYERPYCGZ-OALUTQOASA-N 2 2 383.540 3.099 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000046921088 1404634396 /nfs/dbraw/zinc/63/43/96/1404634396.db2.gz OJLUERATVRJJIX-UHFFFAOYSA-N 2 2 381.524 3.091 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000047296937 1404793450 /nfs/dbraw/zinc/79/34/50/1404793450.db2.gz QAUUPFAOKZIMSG-UHFFFAOYSA-N 2 2 389.503 3.244 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCNc3cccc[nH+]3)cc2)C1 ZINC000047501157 1404853067 /nfs/dbraw/zinc/85/30/67/1404853067.db2.gz LDVCTRFSGLOORM-SFHVURJKSA-N 2 2 381.524 3.225 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCNc3cccc[nH+]3)cc2)C1 ZINC000047501157 1404853068 /nfs/dbraw/zinc/85/30/68/1404853068.db2.gz LDVCTRFSGLOORM-SFHVURJKSA-N 2 2 381.524 3.225 20 0 GGADLP CC1CC[NH+](Cc2ccccc2CNC(=O)NCCNc2cccc[nH+]2)CC1 ZINC000047501109 1404853136 /nfs/dbraw/zinc/85/31/36/1404853136.db2.gz OFNPNUBQYXJBJO-UHFFFAOYSA-N 2 2 381.524 3.225 20 0 GGADLP COc1ccc([C@@H](CNC(=O)NCCNc2cccc[nH+]2)[NH+]2CCCCC2)cc1 ZINC000047501235 1404853236 /nfs/dbraw/zinc/85/32/36/1404853236.db2.gz JILCOEYWSQRUKG-HXUWFJFHSA-N 2 2 397.523 3.029 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCCCn1cc[nH+]c1)c1ccccc1Cl ZINC000047597329 1404876239 /nfs/dbraw/zinc/87/62/39/1404876239.db2.gz GOBUDFXOTSUCEV-SFHVURJKSA-N 2 2 377.920 3.309 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000047597202 1404876318 /nfs/dbraw/zinc/87/63/18/1404876318.db2.gz YVJUJAYICNXFFD-KDURUIRLSA-N 2 2 383.540 3.251 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCCCn3cc[nH+]c3)cc2)C1 ZINC000047597202 1404876319 /nfs/dbraw/zinc/87/63/19/1404876319.db2.gz YVJUJAYICNXFFD-KDURUIRLSA-N 2 2 383.540 3.251 20 0 GGADLP O=C(NCCCn1cc[nH+]c1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000047597211 1404876373 /nfs/dbraw/zinc/87/63/73/1404876373.db2.gz WILBSQJZIRTCEK-GOSISDBHSA-N 2 2 375.904 3.063 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C2SCCS2)cc1 ZINC000047676086 1404891574 /nfs/dbraw/zinc/89/15/74/1404891574.db2.gz KBRFQOVTAGIWFV-UHFFFAOYSA-N 2 2 393.622 3.263 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(C2SCCS2)cc1 ZINC000047676086 1404891575 /nfs/dbraw/zinc/89/15/75/1404891575.db2.gz KBRFQOVTAGIWFV-UHFFFAOYSA-N 2 2 393.622 3.263 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccs1 ZINC000047832563 1404966784 /nfs/dbraw/zinc/96/67/84/1404966784.db2.gz HZGYMEQDQBOLCW-GOSISDBHSA-N 2 2 383.521 3.095 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000047921116 1404997294 /nfs/dbraw/zinc/99/72/94/1404997294.db2.gz ZFZYQLHCTKJAAR-SJORKVTESA-N 2 2 375.542 3.106 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1Cl ZINC000047927285 1405000534 /nfs/dbraw/zinc/00/05/34/1405000534.db2.gz SGNKOSOTMZLKDX-MAUKXSAKSA-N 2 2 377.920 3.307 20 0 GGADLP Cc1ccc([C@H](C)[N@H+](C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000047960134 1405010186 /nfs/dbraw/zinc/01/01/86/1405010186.db2.gz ROCWZSGBELLHTG-FQEVSTJZSA-N 2 2 395.547 3.136 20 0 GGADLP Cc1ccc([C@H](C)[N@@H+](C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000047960134 1405010200 /nfs/dbraw/zinc/01/02/00/1405010200.db2.gz ROCWZSGBELLHTG-FQEVSTJZSA-N 2 2 395.547 3.136 20 0 GGADLP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000047960131 1405010525 /nfs/dbraw/zinc/01/05/25/1405010525.db2.gz KCHSYOGMVNOXSJ-LJQANCHMSA-N 2 2 381.520 3.459 20 0 GGADLP Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000047960131 1405010530 /nfs/dbraw/zinc/01/05/30/1405010530.db2.gz KCHSYOGMVNOXSJ-LJQANCHMSA-N 2 2 381.520 3.459 20 0 GGADLP C[NH+](C)C1(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CCCCCC1 ZINC000048066703 1405041378 /nfs/dbraw/zinc/04/13/78/1405041378.db2.gz SKBCVDHZEUFAIZ-UHFFFAOYSA-N 2 2 397.567 3.428 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cn2c1 ZINC000048270819 1405123156 /nfs/dbraw/zinc/12/31/56/1405123156.db2.gz XIOHRFVGJOMSHB-QZTJIDSGSA-N 2 2 388.581 3.360 20 0 GGADLP C[C@@H](CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000048507120 1405212006 /nfs/dbraw/zinc/21/20/06/1405212006.db2.gz HRGHOSIFRJAEAA-OALUTQOASA-N 2 2 383.540 3.036 20 0 GGADLP C[C@@H](CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000048507120 1405212012 /nfs/dbraw/zinc/21/20/12/1405212012.db2.gz HRGHOSIFRJAEAA-OALUTQOASA-N 2 2 383.540 3.036 20 0 GGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000048686000 1405257047 /nfs/dbraw/zinc/25/70/47/1405257047.db2.gz OYZXGSJIKSDGHA-HUUCEWRRSA-N 2 2 392.494 3.356 20 0 GGADLP CC(C)c1nn(C)c(Cl)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000048745614 1405279483 /nfs/dbraw/zinc/27/94/83/1405279483.db2.gz NNHINWDEVOSMDV-UHFFFAOYSA-N 2 2 376.932 3.319 20 0 GGADLP CCOc1ccccc1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000048778032 1405288919 /nfs/dbraw/zinc/28/89/19/1405288919.db2.gz UGAQKRQTVFOMHN-UHFFFAOYSA-N 2 2 397.519 3.036 20 0 GGADLP COc1cc2c(cc1C[NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)O[C@@H](C)C2 ZINC000048782978 1405290257 /nfs/dbraw/zinc/29/02/57/1405290257.db2.gz XFORIHDFJLZXQL-SFHVURJKSA-N 2 2 395.547 3.056 20 0 GGADLP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)O[C@@H](C)C2 ZINC000048782978 1405290270 /nfs/dbraw/zinc/29/02/70/1405290270.db2.gz XFORIHDFJLZXQL-SFHVURJKSA-N 2 2 395.547 3.056 20 0 GGADLP COc1cc2c(cc1C[NH2+]Cc1ccc(CN3CC[NH+](C)CC3)cc1)O[C@H](C)C2 ZINC000048782976 1405290359 /nfs/dbraw/zinc/29/03/59/1405290359.db2.gz XFORIHDFJLZXQL-GOSISDBHSA-N 2 2 395.547 3.056 20 0 GGADLP COc1cc2c(cc1C[NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)O[C@H](C)C2 ZINC000048782976 1405290366 /nfs/dbraw/zinc/29/03/66/1405290366.db2.gz XFORIHDFJLZXQL-GOSISDBHSA-N 2 2 395.547 3.056 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000049074855 1405338561 /nfs/dbraw/zinc/33/85/61/1405338561.db2.gz JHRGFECGWQJCOZ-YJBOKZPZSA-N 2 2 375.904 3.061 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000050448630 1405580116 /nfs/dbraw/zinc/58/01/16/1405580116.db2.gz AQQCNAHMXUJBSW-CALCHBBNSA-N 2 2 397.519 3.246 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1C ZINC000050448630 1405580134 /nfs/dbraw/zinc/58/01/34/1405580134.db2.gz AQQCNAHMXUJBSW-CALCHBBNSA-N 2 2 397.519 3.246 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1C ZINC000050448632 1405580586 /nfs/dbraw/zinc/58/05/86/1405580586.db2.gz AQQCNAHMXUJBSW-IRXDYDNUSA-N 2 2 397.519 3.246 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1C ZINC000050770009 1405650208 /nfs/dbraw/zinc/65/02/08/1405650208.db2.gz FLRFLPZJFBSJPZ-SFHVURJKSA-N 2 2 385.483 3.375 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1C ZINC000050770009 1405650220 /nfs/dbraw/zinc/65/02/20/1405650220.db2.gz FLRFLPZJFBSJPZ-SFHVURJKSA-N 2 2 385.483 3.375 20 0 GGADLP CC[C@@H](C)c1ccccc1OCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050799533 1405656933 /nfs/dbraw/zinc/65/69/33/1405656933.db2.gz KTNPJILCMLRRHS-GOSISDBHSA-N 2 2 387.568 3.254 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c4c(nc5ccccc53)CCC4)CC2)CC1 ZINC000050799393 1405657044 /nfs/dbraw/zinc/65/70/44/1405657044.db2.gz HXMVNCVHBCTMHM-UHFFFAOYSA-N 2 2 392.547 3.012 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccc(F)cc4)CCCC3)CC2)CC1 ZINC000050799390 1405657361 /nfs/dbraw/zinc/65/73/61/1405657361.db2.gz HMTHJYSHRHOKHR-UHFFFAOYSA-N 2 2 387.543 3.312 20 0 GGADLP Cc1ccc2nc(C)c(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2c1 ZINC000050800066 1405658235 /nfs/dbraw/zinc/65/82/35/1405658235.db2.gz UVTUJKXWFRONDE-UHFFFAOYSA-N 2 2 380.536 3.140 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3ccccc3Cl)CC2)CC1 ZINC000050799996 1405658549 /nfs/dbraw/zinc/65/85/49/1405658549.db2.gz MQVIZEVMORRNGE-RTBURBONSA-N 2 2 375.944 3.118 20 0 GGADLP Cc1cc(C(=O)CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000050803017 1405659461 /nfs/dbraw/zinc/65/94/61/1405659461.db2.gz MVEAVBJTRNKNPR-UHFFFAOYSA-N 2 2 391.581 3.003 20 0 GGADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)n1Cc1ccco1 ZINC000050801446 1405659951 /nfs/dbraw/zinc/65/99/51/1405659951.db2.gz LQXPGVQZHXTUGS-UHFFFAOYSA-N 2 2 398.551 3.035 20 0 GGADLP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C[N@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000051123469 1405727159 /nfs/dbraw/zinc/72/71/59/1405727159.db2.gz SPXCBAPHXCYIJX-PMACEKPBSA-N 2 2 395.547 3.044 20 0 GGADLP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000051123469 1405727166 /nfs/dbraw/zinc/72/71/66/1405727166.db2.gz SPXCBAPHXCYIJX-PMACEKPBSA-N 2 2 395.547 3.044 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[N@H+](C)Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000051123471 1405727467 /nfs/dbraw/zinc/72/74/67/1405727467.db2.gz SPXCBAPHXCYIJX-WOJBJXKFSA-N 2 2 395.547 3.044 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)cc2)C[C@@H](C)O1 ZINC000051123471 1405727473 /nfs/dbraw/zinc/72/74/73/1405727473.db2.gz SPXCBAPHXCYIJX-WOJBJXKFSA-N 2 2 395.547 3.044 20 0 GGADLP O=C(Nc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000051187998 1405741093 /nfs/dbraw/zinc/74/10/93/1405741093.db2.gz QJEYTZYZYVDBOT-SFHVURJKSA-N 2 2 387.911 3.139 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000051280039 1405773203 /nfs/dbraw/zinc/77/32/03/1405773203.db2.gz RMSFSLPWKKZQOD-UHFFFAOYSA-N 2 2 398.473 3.063 20 0 GGADLP COc1ccc(C[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000051317035 1405784173 /nfs/dbraw/zinc/78/41/73/1405784173.db2.gz IBRRHRIRWCHSTE-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000051317035 1405784186 /nfs/dbraw/zinc/78/41/86/1405784186.db2.gz IBRRHRIRWCHSTE-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000051317035 1405784198 /nfs/dbraw/zinc/78/41/98/1405784198.db2.gz IBRRHRIRWCHSTE-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)cc1 ZINC000051317035 1405784214 /nfs/dbraw/zinc/78/42/14/1405784214.db2.gz IBRRHRIRWCHSTE-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000051317020 1405784693 /nfs/dbraw/zinc/78/46/93/1405784693.db2.gz BQIOTMRQXYSKGP-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000051317020 1405784708 /nfs/dbraw/zinc/78/47/08/1405784708.db2.gz BQIOTMRQXYSKGP-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc1 ZINC000051317020 1405784724 /nfs/dbraw/zinc/78/47/24/1405784724.db2.gz BQIOTMRQXYSKGP-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccc(C[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)cc1 ZINC000051317020 1405784738 /nfs/dbraw/zinc/78/47/38/1405784738.db2.gz BQIOTMRQXYSKGP-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C ZINC000051755124 1405860031 /nfs/dbraw/zinc/86/00/31/1405860031.db2.gz LAEVKJJLDLBJHY-UHFFFAOYSA-N 2 2 382.508 3.302 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2F)c1C ZINC000051756312 1405860602 /nfs/dbraw/zinc/86/06/02/1405860602.db2.gz HWVDPHSGXSSGNZ-UHFFFAOYSA-N 2 2 388.487 3.120 20 0 GGADLP CCc1ccc(CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C2CC2)cc1 ZINC000051758708 1405860637 /nfs/dbraw/zinc/86/06/37/1405860637.db2.gz VCNJELRWTBILSB-UHFFFAOYSA-N 2 2 398.595 3.482 20 0 GGADLP CN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759732 1405860668 /nfs/dbraw/zinc/86/06/68/1405860668.db2.gz ILDSVVPOUJZEFN-UHFFFAOYSA-N 2 2 378.948 3.040 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000051758625 1405860773 /nfs/dbraw/zinc/86/07/73/1405860773.db2.gz NIDICQMZSKIXOP-VQTJNVASSA-N 2 2 378.605 3.449 20 0 GGADLP CN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H]1CCCc2ccccc21 ZINC000051759513 1405860895 /nfs/dbraw/zinc/86/08/95/1405860895.db2.gz XSQOPFSLLAIQOL-JOCHJYFZSA-N 2 2 384.568 3.264 20 0 GGADLP CSc1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000051760074 1405861125 /nfs/dbraw/zinc/86/11/25/1405861125.db2.gz SBYBIHXMYAWJNG-INIZCTEOSA-N 2 2 390.597 3.327 20 0 GGADLP Cc1cc([C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000051760940 1405861324 /nfs/dbraw/zinc/86/13/24/1405861324.db2.gz HULOAHCCAMWQBF-HNNXBMFYSA-N 2 2 378.586 3.284 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@H]3c3ccncc3)CC2)CC1 ZINC000051759954 1405861356 /nfs/dbraw/zinc/86/13/56/1405861356.db2.gz XUZFCXNGASKPHX-QFIPXVFZSA-N 2 2 399.583 3.267 20 0 GGADLP CN(CCCCc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777849 1405862545 /nfs/dbraw/zinc/86/25/45/1405862545.db2.gz DPLFGRDRSZBIIK-UHFFFAOYSA-N 2 2 386.584 3.209 20 0 GGADLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)on1 ZINC000052010897 1405897502 /nfs/dbraw/zinc/89/75/02/1405897502.db2.gz AZFHQGIKYYJAHM-OAQYLSRUSA-N 2 2 396.535 3.163 20 0 GGADLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)on1 ZINC000052010897 1405897504 /nfs/dbraw/zinc/89/75/04/1405897504.db2.gz AZFHQGIKYYJAHM-OAQYLSRUSA-N 2 2 396.535 3.163 20 0 GGADLP Cc1cc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)on1 ZINC000052010897 1405897510 /nfs/dbraw/zinc/89/75/10/1405897510.db2.gz AZFHQGIKYYJAHM-OAQYLSRUSA-N 2 2 396.535 3.163 20 0 GGADLP Cc1cc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)on1 ZINC000052010897 1405897511 /nfs/dbraw/zinc/89/75/11/1405897511.db2.gz AZFHQGIKYYJAHM-OAQYLSRUSA-N 2 2 396.535 3.163 20 0 GGADLP C[N@H+](CCCCc1ccccc1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052037716 1405909005 /nfs/dbraw/zinc/90/90/05/1405909005.db2.gz FLEXOKHJONBYBY-UHFFFAOYSA-N 2 2 395.547 3.412 20 0 GGADLP C[N@@H+](CCCCc1ccccc1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000052037716 1405909022 /nfs/dbraw/zinc/90/90/22/1405909022.db2.gz FLEXOKHJONBYBY-UHFFFAOYSA-N 2 2 395.547 3.412 20 0 GGADLP C[NH+](C)CCOc1ccc(CNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000052408047 1406042970 /nfs/dbraw/zinc/04/29/70/1406042970.db2.gz YVFFMAOYELKYBD-UHFFFAOYSA-N 2 2 388.475 3.368 20 0 GGADLP C[C@H]1CCC[C@](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)([NH+](C)C)C1 ZINC000052527928 1406074903 /nfs/dbraw/zinc/07/49/03/1406074903.db2.gz BJCARZMKFPBQLG-AVRDEDQJSA-N 2 2 383.540 3.241 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)NCCCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000052554190 1406081125 /nfs/dbraw/zinc/08/11/25/1406081125.db2.gz AXMYLKCIQOJHHL-FQEVSTJZSA-N 2 2 399.539 3.198 20 0 GGADLP CC(C)[N@H+](C)CC1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000056832186 1407446985 /nfs/dbraw/zinc/44/69/85/1407446985.db2.gz COIUEVJTFQCYHM-UHFFFAOYSA-N 2 2 397.567 3.236 20 0 GGADLP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000056832186 1407446991 /nfs/dbraw/zinc/44/69/91/1407446991.db2.gz COIUEVJTFQCYHM-UHFFFAOYSA-N 2 2 397.567 3.236 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000056831512 1407447424 /nfs/dbraw/zinc/44/74/24/1407447424.db2.gz ZJDVOHSIIHEDSV-UHFFFAOYSA-N 2 2 399.583 3.479 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000056831512 1407447436 /nfs/dbraw/zinc/44/74/36/1407447436.db2.gz ZJDVOHSIIHEDSV-UHFFFAOYSA-N 2 2 399.583 3.479 20 0 GGADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccccc2-n2cc[nH+]c2)o1 ZINC000056895896 1407469376 /nfs/dbraw/zinc/46/93/76/1407469376.db2.gz AYZQWHCKJDDNJW-UHFFFAOYSA-N 2 2 381.480 3.047 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccc(F)cc1 ZINC000056936976 1407478022 /nfs/dbraw/zinc/47/80/22/1407478022.db2.gz GVHQVFJYMJEHFR-NRFANRHFSA-N 2 2 395.482 3.173 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000056934725 1407478044 /nfs/dbraw/zinc/47/80/44/1407478044.db2.gz PDGHWENBFOEPPE-OAQYLSRUSA-N 2 2 395.482 3.173 20 0 GGADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000056946689 1407479609 /nfs/dbraw/zinc/47/96/09/1407479609.db2.gz WVLNTBXLBILDOE-HSALFYBXSA-N 2 2 397.567 3.140 20 0 GGADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000056946689 1407479612 /nfs/dbraw/zinc/47/96/12/1407479612.db2.gz WVLNTBXLBILDOE-HSALFYBXSA-N 2 2 397.567 3.140 20 0 GGADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000056946890 1407480348 /nfs/dbraw/zinc/48/03/48/1407480348.db2.gz KNIHPFXVDSFKSB-CEXWTWQISA-N 2 2 383.540 3.097 20 0 GGADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000056946890 1407480353 /nfs/dbraw/zinc/48/03/53/1407480353.db2.gz KNIHPFXVDSFKSB-CEXWTWQISA-N 2 2 383.540 3.097 20 0 GGADLP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000056946892 1407480674 /nfs/dbraw/zinc/48/06/74/1407480674.db2.gz KNIHPFXVDSFKSB-GUDVDZBRSA-N 2 2 383.540 3.097 20 0 GGADLP CC(C)Oc1ccc(Cl)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000056984699 1407493462 /nfs/dbraw/zinc/49/34/62/1407493462.db2.gz PSALBQWBVDJPDE-UHFFFAOYSA-N 2 2 381.948 3.225 20 0 GGADLP CC(C)Oc1ccc(Cl)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000056984699 1407493467 /nfs/dbraw/zinc/49/34/67/1407493467.db2.gz PSALBQWBVDJPDE-UHFFFAOYSA-N 2 2 381.948 3.225 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000057612777 1407666893 /nfs/dbraw/zinc/66/68/93/1407666893.db2.gz CQYYJWUJLLPISV-HZPDHXFCSA-N 2 2 376.545 3.216 20 0 GGADLP C[C@@H](C#N)C[NH+](C)Cc1c(O)ccc2ccc(O)c(C[N@@H+](C)C[C@@H](C)C#N)c21 ZINC000058530355 1407841017 /nfs/dbraw/zinc/84/10/17/1407841017.db2.gz SDLAJKFXJRUOCY-HOTGVXAUSA-N 2 2 380.492 3.434 20 0 GGADLP C[C@@H](C#N)C[NH+](C)Cc1c(O)ccc2ccc(O)c(C[N@H+](C)C[C@@H](C)C#N)c21 ZINC000058530355 1407841020 /nfs/dbraw/zinc/84/10/20/1407841020.db2.gz SDLAJKFXJRUOCY-HOTGVXAUSA-N 2 2 380.492 3.434 20 0 GGADLP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000058806932 1407884088 /nfs/dbraw/zinc/88/40/88/1407884088.db2.gz HEHDPCSCCKPOAX-QWFCFKBJSA-N 2 2 375.582 3.013 20 0 GGADLP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000058806932 1407884090 /nfs/dbraw/zinc/88/40/90/1407884090.db2.gz HEHDPCSCCKPOAX-QWFCFKBJSA-N 2 2 375.582 3.013 20 0 GGADLP CC1CC[NH+](CCCCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000058807923 1407884254 /nfs/dbraw/zinc/88/42/54/1407884254.db2.gz KZYWHVZZOPXIEO-NRFANRHFSA-N 2 2 389.609 3.405 20 0 GGADLP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)C[NH+]1CCCCC1 ZINC000058820510 1407886025 /nfs/dbraw/zinc/88/60/25/1407886025.db2.gz DGPDKGBUSIEBAJ-QUCCMNQESA-N 2 2 375.582 3.015 20 0 GGADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000058920690 1407899061 /nfs/dbraw/zinc/89/90/61/1407899061.db2.gz QGOAUOUTUOVICC-RMKNXTFCSA-N 2 2 387.487 3.061 20 0 GGADLP CC[C@@H](Cc1ccccc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000176381897 1428286950 /nfs/dbraw/zinc/28/69/50/1428286950.db2.gz XTOPWRYWBHISTQ-NRFANRHFSA-N 2 2 386.584 3.208 20 0 GGADLP C[C@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)Sc1ccccc1 ZINC000176382717 1428287817 /nfs/dbraw/zinc/28/78/17/1428287817.db2.gz ZRASAXBFVHACIL-QGZVFWFLSA-N 2 2 390.597 3.025 20 0 GGADLP C[C@@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)Sc1ccccc1 ZINC000176382700 1428288173 /nfs/dbraw/zinc/28/81/73/1428288173.db2.gz ZRASAXBFVHACIL-KRWDZBQOSA-N 2 2 390.597 3.025 20 0 GGADLP C[NH+]1CCC(NC(=S)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000063148501 1408308671 /nfs/dbraw/zinc/30/86/71/1408308671.db2.gz PEFZLFWISPQNBW-KRWDZBQOSA-N 2 2 398.979 3.174 20 0 GGADLP S=C(NCCCNc1cccc[nH+]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000063150677 1408309480 /nfs/dbraw/zinc/30/94/80/1408309480.db2.gz CHJYRXBYRROTIP-UHFFFAOYSA-N 2 2 383.565 3.012 20 0 GGADLP CC(C)[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000063466826 1408359455 /nfs/dbraw/zinc/35/94/55/1408359455.db2.gz LMXYDSUFQJSPGQ-UHFFFAOYSA-N 2 2 394.563 3.283 20 0 GGADLP CC(C)[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000063466826 1408359458 /nfs/dbraw/zinc/35/94/58/1408359458.db2.gz LMXYDSUFQJSPGQ-UHFFFAOYSA-N 2 2 394.563 3.283 20 0 GGADLP Cc1nc(COc2ccc(C[NH2+]Cc3ccccc3Cn3cc[nH+]c3)cc2)no1 ZINC000063511495 1408365304 /nfs/dbraw/zinc/36/53/04/1408365304.db2.gz JSGAZTHPMYNJOX-UHFFFAOYSA-N 2 2 389.459 3.492 20 0 GGADLP CCC[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000063756044 1408403342 /nfs/dbraw/zinc/40/33/42/1408403342.db2.gz RFCRZIUIXBDOJP-UHFFFAOYSA-N 2 2 394.563 3.285 20 0 GGADLP CCC[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000063756044 1408403361 /nfs/dbraw/zinc/40/33/61/1408403361.db2.gz RFCRZIUIXBDOJP-UHFFFAOYSA-N 2 2 394.563 3.285 20 0 GGADLP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000176456654 1428325865 /nfs/dbraw/zinc/32/58/65/1428325865.db2.gz IJHGFDSHXXEBLH-UHFFFAOYSA-N 2 2 383.521 3.207 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCCCn1cc[nH+]c1 ZINC000064430047 1408553067 /nfs/dbraw/zinc/55/30/67/1408553067.db2.gz KIIMBMXICNRXOH-UHFFFAOYSA-N 2 2 397.445 3.065 20 0 GGADLP O=C(CC[N@@H+](Cc1ccccc1)CC1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065161228 1408649836 /nfs/dbraw/zinc/64/98/36/1408649836.db2.gz AMRGBGVLIMGGHN-UHFFFAOYSA-N 2 2 392.547 3.423 20 0 GGADLP O=C(CC[N@H+](Cc1ccccc1)CC1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000065161228 1408649840 /nfs/dbraw/zinc/64/98/40/1408649840.db2.gz AMRGBGVLIMGGHN-UHFFFAOYSA-N 2 2 392.547 3.423 20 0 GGADLP CCC(CC)[C@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)[NH+]1CCCC1 ZINC000065388343 1408664823 /nfs/dbraw/zinc/66/48/23/1408664823.db2.gz LFIICHNWKNIGIG-IBGZPJMESA-N 2 2 376.545 3.407 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065445246 1408670665 /nfs/dbraw/zinc/67/06/65/1408670665.db2.gz RYMYCRILWUPBLU-UHFFFAOYSA-N 2 2 385.556 3.089 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065461129 1408672734 /nfs/dbraw/zinc/67/27/34/1408672734.db2.gz QDGBKDOFQGVIGZ-UHFFFAOYSA-N 2 2 399.514 3.419 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176493512 1428338804 /nfs/dbraw/zinc/33/88/04/1428338804.db2.gz SASJGDNTWFTXIX-IBGZPJMESA-N 2 2 399.583 3.267 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000065855644 1408742559 /nfs/dbraw/zinc/74/25/59/1408742559.db2.gz LPPDLAIDVYARDY-UHFFFAOYSA-N 2 2 379.504 3.367 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065931563 1408757114 /nfs/dbraw/zinc/75/71/14/1408757114.db2.gz FFLNUZXMHXIKJQ-UHFFFAOYSA-N 2 2 380.467 3.275 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065939532 1408759723 /nfs/dbraw/zinc/75/97/23/1408759723.db2.gz ASADFEJFOHMMSF-UHFFFAOYSA-N 2 2 380.467 3.275 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000066007483 1408772724 /nfs/dbraw/zinc/77/27/24/1408772724.db2.gz JLOLZCJRFHDSTQ-UHFFFAOYSA-N 2 2 388.503 3.360 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=S)Nc1cccc(C(F)(F)F)c1 ZINC000066007483 1408772729 /nfs/dbraw/zinc/77/27/29/1408772729.db2.gz JLOLZCJRFHDSTQ-UHFFFAOYSA-N 2 2 388.503 3.360 20 0 GGADLP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000066047917 1408778843 /nfs/dbraw/zinc/77/88/43/1408778843.db2.gz UQWYEWXWBYEJFC-UHFFFAOYSA-N 2 2 387.474 3.177 20 0 GGADLP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000066047917 1408778847 /nfs/dbraw/zinc/77/88/47/1408778847.db2.gz UQWYEWXWBYEJFC-UHFFFAOYSA-N 2 2 387.474 3.177 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3c(F)cccc3F)CC2)CC1 ZINC000066568563 1408859138 /nfs/dbraw/zinc/85/91/38/1408859138.db2.gz CTZLFGOHRKRQIG-MRXNPFEDSA-N 2 2 379.495 3.292 20 0 GGADLP O=C(CCn1cc[nH+]c1)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000066684241 1408884529 /nfs/dbraw/zinc/88/45/29/1408884529.db2.gz NGUXHTNUTYYJMZ-UHFFFAOYSA-N 2 2 383.496 3.117 20 0 GGADLP C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)n1cc[nH+]c1 ZINC000066683949 1408884659 /nfs/dbraw/zinc/88/46/59/1408884659.db2.gz LLFATJOPBCFJAO-QGZVFWFLSA-N 2 2 383.496 3.287 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)c3ccccc3C2=O)CC1 ZINC000066793831 1408915958 /nfs/dbraw/zinc/91/59/58/1408915958.db2.gz BFSKTCLGAFYWLU-UHFFFAOYSA-N 2 2 377.488 3.084 20 0 GGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](CN2C(=O)c3ccccc3C2=O)CC1 ZINC000066793831 1408915964 /nfs/dbraw/zinc/91/59/64/1408915964.db2.gz BFSKTCLGAFYWLU-UHFFFAOYSA-N 2 2 377.488 3.084 20 0 GGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000066795594 1408917248 /nfs/dbraw/zinc/91/72/48/1408917248.db2.gz QALJIGBTHIHEES-UHFFFAOYSA-N 2 2 396.289 3.095 20 0 GGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000066795594 1408917253 /nfs/dbraw/zinc/91/72/53/1408917253.db2.gz QALJIGBTHIHEES-UHFFFAOYSA-N 2 2 396.289 3.095 20 0 GGADLP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000066795671 1408917455 /nfs/dbraw/zinc/91/74/55/1408917455.db2.gz BWACEGUMVOTZQK-UHFFFAOYSA-N 2 2 386.540 3.028 20 0 GGADLP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)CN1C(=O)NC2(CCC(C)CC2)C1=O ZINC000066795671 1408917459 /nfs/dbraw/zinc/91/74/59/1408917459.db2.gz BWACEGUMVOTZQK-UHFFFAOYSA-N 2 2 386.540 3.028 20 0 GGADLP C[C@H](C[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000066853366 1408932169 /nfs/dbraw/zinc/93/21/69/1408932169.db2.gz JBIBQVGWARBTFC-LJQANCHMSA-N 2 2 381.520 3.193 20 0 GGADLP C[C@H](C[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000066853366 1408932173 /nfs/dbraw/zinc/93/21/73/1408932173.db2.gz JBIBQVGWARBTFC-LJQANCHMSA-N 2 2 381.520 3.193 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000066876858 1408939626 /nfs/dbraw/zinc/93/96/26/1408939626.db2.gz FEAAFCHHKQSPNH-UHFFFAOYSA-N 2 2 382.480 3.172 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000066888180 1408941853 /nfs/dbraw/zinc/94/18/53/1408941853.db2.gz ADIGZJFQSFOGKQ-UHFFFAOYSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890306 1408942083 /nfs/dbraw/zinc/94/20/83/1408942083.db2.gz XLBCBDDWCVVAAY-UHFFFAOYSA-N 2 2 389.503 3.120 20 0 GGADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066890306 1408942089 /nfs/dbraw/zinc/94/20/89/1408942089.db2.gz XLBCBDDWCVVAAY-UHFFFAOYSA-N 2 2 389.503 3.120 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000066890191 1408942133 /nfs/dbraw/zinc/94/21/33/1408942133.db2.gz BBSMBTTUXODQCL-SFHVURJKSA-N 2 2 389.503 3.118 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000066890191 1408942138 /nfs/dbraw/zinc/94/21/38/1408942138.db2.gz BBSMBTTUXODQCL-SFHVURJKSA-N 2 2 389.503 3.118 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000066890200 1408942436 /nfs/dbraw/zinc/94/24/36/1408942436.db2.gz DYEBMSLWABBWPC-OAQYLSRUSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000066890200 1408942438 /nfs/dbraw/zinc/94/24/38/1408942438.db2.gz DYEBMSLWABBWPC-OAQYLSRUSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000066890197 1408942464 /nfs/dbraw/zinc/94/24/64/1408942464.db2.gz DYEBMSLWABBWPC-NRFANRHFSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000066890197 1408942465 /nfs/dbraw/zinc/94/24/65/1408942465.db2.gz DYEBMSLWABBWPC-NRFANRHFSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000066889619 1408942485 /nfs/dbraw/zinc/94/24/85/1408942485.db2.gz UKTMLXZQOTXVNX-UHFFFAOYSA-N 2 2 389.503 3.290 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000066889619 1408942487 /nfs/dbraw/zinc/94/24/87/1408942487.db2.gz UKTMLXZQOTXVNX-UHFFFAOYSA-N 2 2 389.503 3.290 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000066890885 1408942987 /nfs/dbraw/zinc/94/29/87/1408942987.db2.gz FBBSPWIMKKNSJP-LJQANCHMSA-N 2 2 379.464 3.102 20 0 GGADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)o1 ZINC000066985971 1408972272 /nfs/dbraw/zinc/97/22/72/1408972272.db2.gz UQVBMYDVQBIHDS-UHFFFAOYSA-N 2 2 381.480 3.047 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000066986628 1408972383 /nfs/dbraw/zinc/97/23/83/1408972383.db2.gz WUGROZRSWQLVMI-KDURUIRLSA-N 2 2 383.540 3.430 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000066986628 1408972392 /nfs/dbraw/zinc/97/23/92/1408972392.db2.gz WUGROZRSWQLVMI-KDURUIRLSA-N 2 2 383.540 3.430 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000066985840 1408972658 /nfs/dbraw/zinc/97/26/58/1408972658.db2.gz AJAYAHZMOOBNHE-HXUWFJFHSA-N 2 2 381.455 3.114 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000067120257 1409013218 /nfs/dbraw/zinc/01/32/18/1409013218.db2.gz QMKVAJWASJRDAA-QGZVFWFLSA-N 2 2 396.865 3.450 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000067120257 1409013221 /nfs/dbraw/zinc/01/32/21/1409013221.db2.gz QMKVAJWASJRDAA-QGZVFWFLSA-N 2 2 396.865 3.450 20 0 GGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067122461 1409013987 /nfs/dbraw/zinc/01/39/87/1409013987.db2.gz DXQZEUFNFFKAGV-HXUWFJFHSA-N 2 2 390.959 3.325 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176611907 1428379512 /nfs/dbraw/zinc/37/95/12/1428379512.db2.gz YUJKXNRZANNXGD-UXHICEINSA-N 2 2 387.572 3.202 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176611923 1428379714 /nfs/dbraw/zinc/37/97/14/1428379714.db2.gz YUJKXNRZANNXGD-PMACEKPBSA-N 2 2 387.572 3.202 20 0 GGADLP Cc1ccc(N2CCC(NC(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000176617611 1428381390 /nfs/dbraw/zinc/38/13/90/1428381390.db2.gz XPJDJUPJWHXSGA-IBGZPJMESA-N 2 2 395.551 3.179 20 0 GGADLP Cc1ccc(N2CCC(NC(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000176617611 1428381394 /nfs/dbraw/zinc/38/13/94/1428381394.db2.gz XPJDJUPJWHXSGA-IBGZPJMESA-N 2 2 395.551 3.179 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccs1 ZINC000067588983 1409177087 /nfs/dbraw/zinc/17/70/87/1409177087.db2.gz VYSNMDPBOKZXNA-QGZVFWFLSA-N 2 2 387.484 3.175 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000067589148 1409177158 /nfs/dbraw/zinc/17/71/58/1409177158.db2.gz GQRKQYZRWWSBKK-IBGZPJMESA-N 2 2 397.454 3.241 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645845 1409195586 /nfs/dbraw/zinc/19/55/86/1409195586.db2.gz WXNJLWWVEPCNNW-KRWDZBQOSA-N 2 2 387.503 3.465 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645845 1409195597 /nfs/dbraw/zinc/19/55/97/1409195597.db2.gz WXNJLWWVEPCNNW-KRWDZBQOSA-N 2 2 387.503 3.465 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000068639850 1409453592 /nfs/dbraw/zinc/45/35/92/1409453592.db2.gz CNUBQKKFVNVXJY-LJQANCHMSA-N 2 2 384.549 3.200 20 0 GGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000069017094 1409544231 /nfs/dbraw/zinc/54/42/31/1409544231.db2.gz JPKWZBUOFQNRPT-BGYRXZFFSA-N 2 2 382.552 3.253 20 0 GGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000069017094 1409544235 /nfs/dbraw/zinc/54/42/35/1409544235.db2.gz JPKWZBUOFQNRPT-BGYRXZFFSA-N 2 2 382.552 3.253 20 0 GGADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)c2ccccc2)CC1 ZINC000069170988 1409580209 /nfs/dbraw/zinc/58/02/09/1409580209.db2.gz QVOWKGLWCVMZAH-HSZRJFAPSA-N 2 2 387.531 3.222 20 0 GGADLP S=c1[nH]nc(CCC2CCCC2)n1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000069375383 1409624368 /nfs/dbraw/zinc/62/43/68/1409624368.db2.gz HSQPMIDROAOGQK-UHFFFAOYSA-N 2 2 393.601 3.065 20 0 GGADLP CCCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000069422906 1409633640 /nfs/dbraw/zinc/63/36/40/1409633640.db2.gz ZAJIVKQFAHOKOT-HXUWFJFHSA-N 2 2 375.582 3.157 20 0 GGADLP C[C@@H](C#N)C[NH+](C)Cc1c(O)ccc2ccc(O)c(C[N@@H+](C)C[C@H](C)C#N)c21 ZINC000069688461 1409675734 /nfs/dbraw/zinc/67/57/34/1409675734.db2.gz SDLAJKFXJRUOCY-IYBDPMFKSA-N 2 2 380.492 3.434 20 0 GGADLP C[C@@H](C#N)C[NH+](C)Cc1c(O)ccc2ccc(O)c(C[N@H+](C)C[C@H](C)C#N)c21 ZINC000069688461 1409675738 /nfs/dbraw/zinc/67/57/38/1409675738.db2.gz SDLAJKFXJRUOCY-IYBDPMFKSA-N 2 2 380.492 3.434 20 0 GGADLP C[C@@H](C#N)C[N@@H+](C)Cc1c(O)ccc2ccc(O)c(C[NH+](C)C[C@H](C)C#N)c21 ZINC000069688461 1409675742 /nfs/dbraw/zinc/67/57/42/1409675742.db2.gz SDLAJKFXJRUOCY-IYBDPMFKSA-N 2 2 380.492 3.434 20 0 GGADLP C[C@@H](C#N)C[N@H+](C)Cc1c(O)ccc2ccc(O)c(C[NH+](C)C[C@H](C)C#N)c21 ZINC000069688461 1409675745 /nfs/dbraw/zinc/67/57/45/1409675745.db2.gz SDLAJKFXJRUOCY-IYBDPMFKSA-N 2 2 380.492 3.434 20 0 GGADLP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)o1 ZINC000069783399 1409698244 /nfs/dbraw/zinc/69/82/44/1409698244.db2.gz LNXGCSUCAYPSRA-UTKZUKDTSA-N 2 2 397.519 3.354 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2)C[C@H](C)O1 ZINC000071028412 1409814315 /nfs/dbraw/zinc/81/43/15/1409814315.db2.gz JCWODPKTKPSLGG-CALCHBBNSA-N 2 2 391.475 3.129 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2)C[C@H](C)O1 ZINC000071028412 1409814319 /nfs/dbraw/zinc/81/43/19/1409814319.db2.gz JCWODPKTKPSLGG-CALCHBBNSA-N 2 2 391.475 3.129 20 0 GGADLP COc1ccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000071798702 1409824317 /nfs/dbraw/zinc/82/43/17/1409824317.db2.gz RBLIIKLMPYYQPT-HSZRJFAPSA-N 2 2 392.503 3.044 20 0 GGADLP C[C@@H](C(=O)NCCc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868863 1409854351 /nfs/dbraw/zinc/85/43/51/1409854351.db2.gz QJYOEEWPNCHNBQ-REWPJTCUSA-N 2 2 379.548 3.188 20 0 GGADLP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868863 1409854354 /nfs/dbraw/zinc/85/43/54/1409854354.db2.gz QJYOEEWPNCHNBQ-REWPJTCUSA-N 2 2 379.548 3.188 20 0 GGADLP C[C@@H](C(=O)NCCc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868863 1409854357 /nfs/dbraw/zinc/85/43/57/1409854357.db2.gz QJYOEEWPNCHNBQ-REWPJTCUSA-N 2 2 379.548 3.188 20 0 GGADLP C[C@@H](C(=O)NCCc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868863 1409854358 /nfs/dbraw/zinc/85/43/58/1409854358.db2.gz QJYOEEWPNCHNBQ-REWPJTCUSA-N 2 2 379.548 3.188 20 0 GGADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868566 1409854485 /nfs/dbraw/zinc/85/44/85/1409854485.db2.gz ZJXZKUYHAZIFDN-IRLDBZIGSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868566 1409854487 /nfs/dbraw/zinc/85/44/87/1409854487.db2.gz ZJXZKUYHAZIFDN-IRLDBZIGSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868566 1409854489 /nfs/dbraw/zinc/85/44/89/1409854489.db2.gz ZJXZKUYHAZIFDN-IRLDBZIGSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868566 1409854492 /nfs/dbraw/zinc/85/44/92/1409854492.db2.gz ZJXZKUYHAZIFDN-IRLDBZIGSA-N 2 2 379.548 3.454 20 0 GGADLP CC[N@@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867861 1409854565 /nfs/dbraw/zinc/85/45/65/1409854565.db2.gz JBAWMSVJCIQKBX-SFHVURJKSA-N 2 2 384.568 3.409 20 0 GGADLP CC[N@H+](CC(=O)N([C@@H](C)C1CC1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867861 1409854566 /nfs/dbraw/zinc/85/45/66/1409854566.db2.gz JBAWMSVJCIQKBX-SFHVURJKSA-N 2 2 384.568 3.409 20 0 GGADLP Cc1ccc(NC(=O)c2ccc(C[NH+]3CCN(C)CC3)cc2)c(C[NH+](C)C)c1 ZINC000073129100 1409858261 /nfs/dbraw/zinc/85/82/61/1409858261.db2.gz FIJWGRFWKCCCBM-UHFFFAOYSA-N 2 2 380.536 3.056 20 0 GGADLP CC(C)[NH+](CCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)C ZINC000074847282 1409877101 /nfs/dbraw/zinc/87/71/01/1409877101.db2.gz PDIVFPMSGNUFIX-UHFFFAOYSA-N 2 2 375.561 3.380 20 0 GGADLP CC(C)[NH+](CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(C)C ZINC000074865492 1409878132 /nfs/dbraw/zinc/87/81/32/1409878132.db2.gz VADNCMIKQKAIJI-UHFFFAOYSA-N 2 2 375.492 3.320 20 0 GGADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000075007938 1409880177 /nfs/dbraw/zinc/88/01/77/1409880177.db2.gz XLXPGASKYPDPBO-MRXNPFEDSA-N 2 2 381.948 3.490 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccsc1 ZINC000076057463 1409884587 /nfs/dbraw/zinc/88/45/87/1409884587.db2.gz ATCNGBKIGIQOOU-RDJZCZTQSA-N 2 2 375.542 3.443 20 0 GGADLP CCCOc1c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cccc1OCC ZINC000076762071 1409891354 /nfs/dbraw/zinc/89/13/54/1409891354.db2.gz IJABZBMELZFWCZ-GOSISDBHSA-N 2 2 376.541 3.465 20 0 GGADLP CC[C@@H](C)Oc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000077202644 1409894636 /nfs/dbraw/zinc/89/46/36/1409894636.db2.gz AGQNDQJXAFJFAI-QGZVFWFLSA-N 2 2 376.545 3.354 20 0 GGADLP CC[C@@H](C)Oc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000077202644 1409894637 /nfs/dbraw/zinc/89/46/37/1409894637.db2.gz AGQNDQJXAFJFAI-QGZVFWFLSA-N 2 2 376.545 3.354 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1nc(N)c2cc(OC)c(OC)cc2[nH+]1)c1ccco1 ZINC000078878178 1409939646 /nfs/dbraw/zinc/93/96/46/1409939646.db2.gz JHFZJRBHVWUTRF-HNNXBMFYSA-N 2 2 385.468 3.317 20 0 GGADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000079309344 1409968165 /nfs/dbraw/zinc/96/81/65/1409968165.db2.gz NNSDMQDRFQIRJK-GOSISDBHSA-N 2 2 385.556 3.003 20 0 GGADLP CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000079309344 1409968181 /nfs/dbraw/zinc/96/81/81/1409968181.db2.gz NNSDMQDRFQIRJK-GOSISDBHSA-N 2 2 385.556 3.003 20 0 GGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000079394163 1409974557 /nfs/dbraw/zinc/97/45/57/1409974557.db2.gz PHMHMVTZCZRKGP-SFHVURJKSA-N 2 2 378.586 3.087 20 0 GGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000079394163 1409974563 /nfs/dbraw/zinc/97/45/63/1409974563.db2.gz PHMHMVTZCZRKGP-SFHVURJKSA-N 2 2 378.586 3.087 20 0 GGADLP CCC(CC)(CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000080548421 1410007332 /nfs/dbraw/zinc/00/73/32/1410007332.db2.gz OCWUANZLCYRQSQ-UHFFFAOYSA-N 2 2 388.600 3.412 20 0 GGADLP CCC(CC)(CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000080548421 1410007337 /nfs/dbraw/zinc/00/73/37/1410007337.db2.gz OCWUANZLCYRQSQ-UHFFFAOYSA-N 2 2 388.600 3.412 20 0 GGADLP C[N@H+](C[C@H](O)c1c(F)cccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969020 1410013108 /nfs/dbraw/zinc/01/31/08/1410013108.db2.gz RCNGFKSATYYCTK-FQEVSTJZSA-N 2 2 375.463 3.032 20 0 GGADLP C[N@@H+](C[C@H](O)c1c(F)cccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969020 1410013116 /nfs/dbraw/zinc/01/31/16/1410013116.db2.gz RCNGFKSATYYCTK-FQEVSTJZSA-N 2 2 375.463 3.032 20 0 GGADLP C[N@H+](Cc1ccc(-n2cccn2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006051 1410014016 /nfs/dbraw/zinc/01/40/16/1410014016.db2.gz XFGMZXAATHQVQM-UHFFFAOYSA-N 2 2 375.520 3.406 20 0 GGADLP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000081006051 1410014022 /nfs/dbraw/zinc/01/40/22/1410014022.db2.gz XFGMZXAATHQVQM-UHFFFAOYSA-N 2 2 375.520 3.406 20 0 GGADLP Cc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)n1-c1ccccc1 ZINC000084015890 1410034454 /nfs/dbraw/zinc/03/44/54/1410034454.db2.gz RICGGFLCBAUXSJ-UHFFFAOYSA-N 2 2 376.504 3.303 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000090004478 1410059768 /nfs/dbraw/zinc/05/97/68/1410059768.db2.gz AMGOYMPMRSFADI-HXUWFJFHSA-N 2 2 382.552 3.157 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000090004478 1410059778 /nfs/dbraw/zinc/05/97/78/1410059778.db2.gz AMGOYMPMRSFADI-HXUWFJFHSA-N 2 2 382.552 3.157 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000090115634 1410061907 /nfs/dbraw/zinc/06/19/07/1410061907.db2.gz JEKHAESBIZNADG-WMZHIEFXSA-N 2 2 377.532 3.477 20 0 GGADLP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000090115632 1410062200 /nfs/dbraw/zinc/06/22/00/1410062200.db2.gz JEKHAESBIZNADG-CVDCTZTESA-N 2 2 377.532 3.477 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000090913992 1410067782 /nfs/dbraw/zinc/06/77/82/1410067782.db2.gz SPTJPUFGAFFJON-TZYHBYERSA-N 2 2 376.504 3.158 20 0 GGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)c2)CCO1 ZINC000091058060 1410068671 /nfs/dbraw/zinc/06/86/71/1410068671.db2.gz RUIHUXSTMWJXHL-IBGZPJMESA-N 2 2 376.504 3.383 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)c2)CCO1 ZINC000091058060 1410068680 /nfs/dbraw/zinc/06/86/80/1410068680.db2.gz RUIHUXSTMWJXHL-IBGZPJMESA-N 2 2 376.504 3.383 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091895731 1410091430 /nfs/dbraw/zinc/09/14/30/1410091430.db2.gz AHSMODSKSOQCEI-SFHVURJKSA-N 2 2 395.522 3.353 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091895731 1410091434 /nfs/dbraw/zinc/09/14/34/1410091434.db2.gz AHSMODSKSOQCEI-SFHVURJKSA-N 2 2 395.522 3.353 20 0 GGADLP CN(c1ccccc1C[N@H+](C)CC(=O)Nc1ccccc1)C1CC[NH+](C)CC1 ZINC000091902036 1410091979 /nfs/dbraw/zinc/09/19/79/1410091979.db2.gz XSBNUYVEMLQYEZ-UHFFFAOYSA-N 2 2 380.536 3.288 20 0 GGADLP CN(c1ccccc1C[N@@H+](C)CC(=O)Nc1ccccc1)C1CC[NH+](C)CC1 ZINC000091902036 1410091987 /nfs/dbraw/zinc/09/19/87/1410091987.db2.gz XSBNUYVEMLQYEZ-UHFFFAOYSA-N 2 2 380.536 3.288 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)CC1 ZINC000091989043 1410096696 /nfs/dbraw/zinc/09/66/96/1410096696.db2.gz BDLMMMMJTSFLOO-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2ccncc2)CC1 ZINC000091989043 1410096703 /nfs/dbraw/zinc/09/67/03/1410096703.db2.gz BDLMMMMJTSFLOO-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2ccncc2)CC1 ZINC000091989043 1410096710 /nfs/dbraw/zinc/09/67/10/1410096710.db2.gz BDLMMMMJTSFLOO-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2ccncc2)CC1 ZINC000091989043 1410096718 /nfs/dbraw/zinc/09/67/18/1410096718.db2.gz BDLMMMMJTSFLOO-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092389206 1410149358 /nfs/dbraw/zinc/14/93/58/1410149358.db2.gz QJPUKSADDUNOQH-INIZCTEOSA-N 3 2 375.948 3.023 20 0 GGADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000092565149 1410173223 /nfs/dbraw/zinc/17/32/23/1410173223.db2.gz UEHWEBZXEVGKFM-CHWSQXEVSA-N 2 2 391.256 3.003 20 0 GGADLP FC(F)Oc1ccc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Br ZINC000092565149 1410173228 /nfs/dbraw/zinc/17/32/28/1410173228.db2.gz UEHWEBZXEVGKFM-CHWSQXEVSA-N 2 2 391.256 3.003 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000092587733 1410177016 /nfs/dbraw/zinc/17/70/16/1410177016.db2.gz QEVJLFGOFLYGTI-HXUWFJFHSA-N 2 2 390.572 3.007 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000092587733 1410177024 /nfs/dbraw/zinc/17/70/24/1410177024.db2.gz QEVJLFGOFLYGTI-HXUWFJFHSA-N 2 2 390.572 3.007 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000092587983 1410177044 /nfs/dbraw/zinc/17/70/44/1410177044.db2.gz GWXGCLMCVPSOQE-WOJBJXKFSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000092587983 1410177049 /nfs/dbraw/zinc/17/70/49/1410177049.db2.gz GWXGCLMCVPSOQE-WOJBJXKFSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000092587983 1410177054 /nfs/dbraw/zinc/17/70/54/1410177054.db2.gz GWXGCLMCVPSOQE-WOJBJXKFSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000092587983 1410177057 /nfs/dbraw/zinc/17/70/57/1410177057.db2.gz GWXGCLMCVPSOQE-WOJBJXKFSA-N 2 2 387.568 3.240 20 0 GGADLP Cn1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2cccnc2)n1 ZINC000092645212 1410182364 /nfs/dbraw/zinc/18/23/64/1410182364.db2.gz CHLXEMMSNHTDAC-UHFFFAOYSA-N 2 2 390.535 3.016 20 0 GGADLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2cccnc2)n1 ZINC000092645212 1410182373 /nfs/dbraw/zinc/18/23/73/1410182373.db2.gz CHLXEMMSNHTDAC-UHFFFAOYSA-N 2 2 390.535 3.016 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1OC(C)C ZINC000092664686 1410184932 /nfs/dbraw/zinc/18/49/32/1410184932.db2.gz XLAWTMMQDFJTJL-WOJBJXKFSA-N 2 2 389.584 3.473 20 0 GGADLP Cc1[nH+]cc(CN2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1-c1ccccc1 ZINC000092665368 1410185156 /nfs/dbraw/zinc/18/51/56/1410185156.db2.gz OISFDVGGJJAQJA-BGYRXZFFSA-N 2 2 381.568 3.171 20 0 GGADLP Cc1[nH+]cc(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)n1-c1ccccc1 ZINC000092665368 1410185164 /nfs/dbraw/zinc/18/51/64/1410185164.db2.gz OISFDVGGJJAQJA-BGYRXZFFSA-N 2 2 381.568 3.171 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC(C)C ZINC000092664677 1410185419 /nfs/dbraw/zinc/18/54/19/1410185419.db2.gz XLAWTMMQDFJTJL-BGYRXZFFSA-N 2 2 389.584 3.473 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC(C)C ZINC000092664677 1410185430 /nfs/dbraw/zinc/18/54/30/1410185430.db2.gz XLAWTMMQDFJTJL-BGYRXZFFSA-N 2 2 389.584 3.473 20 0 GGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000092665471 1410186443 /nfs/dbraw/zinc/18/64/43/1410186443.db2.gz YENCIOUYMZYRTE-ROUUACIJSA-N 2 2 385.531 3.206 20 0 GGADLP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2)no1 ZINC000092812860 1410203431 /nfs/dbraw/zinc/20/34/31/1410203431.db2.gz PJYSDUSPFDVIER-SFHVURJKSA-N 2 2 379.464 3.286 20 0 GGADLP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](CNc4cccc[nH+]4)C3)cc2)no1 ZINC000092812860 1410203435 /nfs/dbraw/zinc/20/34/35/1410203435.db2.gz PJYSDUSPFDVIER-SFHVURJKSA-N 2 2 379.464 3.286 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)CC1 ZINC000093226713 1410227511 /nfs/dbraw/zinc/22/75/11/1410227511.db2.gz FTAVTZALAQJTID-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2cccnc2)CC1 ZINC000093226713 1410227516 /nfs/dbraw/zinc/22/75/16/1410227516.db2.gz FTAVTZALAQJTID-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2cccnc2)CC1 ZINC000093226713 1410227524 /nfs/dbraw/zinc/22/75/24/1410227524.db2.gz FTAVTZALAQJTID-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2cccnc2)CC1 ZINC000093226713 1410227534 /nfs/dbraw/zinc/22/75/34/1410227534.db2.gz FTAVTZALAQJTID-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336870 1410236244 /nfs/dbraw/zinc/23/62/44/1410236244.db2.gz ALIYGUKGYXMSJO-OAQYLSRUSA-N 2 2 398.551 3.017 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336870 1410236253 /nfs/dbraw/zinc/23/62/53/1410236253.db2.gz ALIYGUKGYXMSJO-OAQYLSRUSA-N 2 2 398.551 3.017 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000093336870 1410236262 /nfs/dbraw/zinc/23/62/62/1410236262.db2.gz ALIYGUKGYXMSJO-OAQYLSRUSA-N 2 2 398.551 3.017 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000093336870 1410236268 /nfs/dbraw/zinc/23/62/68/1410236268.db2.gz ALIYGUKGYXMSJO-OAQYLSRUSA-N 2 2 398.551 3.017 20 0 GGADLP Fc1cccnc1N1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000093687717 1410259816 /nfs/dbraw/zinc/25/98/16/1410259816.db2.gz CWEPCJZQPKWCFK-UHFFFAOYSA-N 2 2 384.499 3.018 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000176804374 1428470384 /nfs/dbraw/zinc/47/03/84/1428470384.db2.gz TVHBCPXJBGFBRU-KNQAVFIVSA-N 2 2 392.547 3.386 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000176804374 1428470386 /nfs/dbraw/zinc/47/03/86/1428470386.db2.gz TVHBCPXJBGFBRU-KNQAVFIVSA-N 2 2 392.547 3.386 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000176804340 1428470897 /nfs/dbraw/zinc/47/08/97/1428470897.db2.gz TVHBCPXJBGFBRU-UGKGYDQZSA-N 2 2 392.547 3.386 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000176804340 1428470913 /nfs/dbraw/zinc/47/09/13/1428470913.db2.gz TVHBCPXJBGFBRU-UGKGYDQZSA-N 2 2 392.547 3.386 20 0 GGADLP Cn1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(-c2cccs2)n1 ZINC000093947956 1410289428 /nfs/dbraw/zinc/28/94/28/1410289428.db2.gz RHSJRPVVHAGMIC-UHFFFAOYSA-N 2 2 382.533 3.271 20 0 GGADLP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097257952 1410360940 /nfs/dbraw/zinc/36/09/40/1410360940.db2.gz JPNAMZPVVOAQAW-OTWHNJEPSA-N 2 2 388.556 3.149 20 0 GGADLP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097257952 1410360948 /nfs/dbraw/zinc/36/09/48/1410360948.db2.gz JPNAMZPVVOAQAW-OTWHNJEPSA-N 2 2 388.556 3.149 20 0 GGADLP CCC[NH+]1CC[C@@H](CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097257952 1410360954 /nfs/dbraw/zinc/36/09/54/1410360954.db2.gz JPNAMZPVVOAQAW-OTWHNJEPSA-N 2 2 388.556 3.149 20 0 GGADLP CCC[NH+]1CC[C@@H](CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097257952 1410360962 /nfs/dbraw/zinc/36/09/62/1410360962.db2.gz JPNAMZPVVOAQAW-OTWHNJEPSA-N 2 2 388.556 3.149 20 0 GGADLP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097257951 1410361126 /nfs/dbraw/zinc/36/11/26/1410361126.db2.gz JPNAMZPVVOAQAW-CEXWTWQISA-N 2 2 388.556 3.149 20 0 GGADLP CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097257951 1410361130 /nfs/dbraw/zinc/36/11/30/1410361130.db2.gz JPNAMZPVVOAQAW-CEXWTWQISA-N 2 2 388.556 3.149 20 0 GGADLP CCC[NH+]1CC[C@H](CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097257951 1410361135 /nfs/dbraw/zinc/36/11/35/1410361135.db2.gz JPNAMZPVVOAQAW-CEXWTWQISA-N 2 2 388.556 3.149 20 0 GGADLP CCC[NH+]1CC[C@H](CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000097257951 1410361138 /nfs/dbraw/zinc/36/11/38/1410361138.db2.gz JPNAMZPVVOAQAW-CEXWTWQISA-N 2 2 388.556 3.149 20 0 GGADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000097257197 1410361181 /nfs/dbraw/zinc/36/11/81/1410361181.db2.gz VTGQZTAFGBCDQP-SFHVURJKSA-N 2 2 387.572 3.382 20 0 GGADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000097257197 1410361185 /nfs/dbraw/zinc/36/11/85/1410361185.db2.gz VTGQZTAFGBCDQP-SFHVURJKSA-N 2 2 387.572 3.382 20 0 GGADLP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000098033561 1410398852 /nfs/dbraw/zinc/39/88/52/1410398852.db2.gz GVCDPBXJSMGHHN-UHFFFAOYSA-N 2 2 393.491 3.271 20 0 GGADLP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000098034275 1410399230 /nfs/dbraw/zinc/39/92/30/1410399230.db2.gz CQOHNASOWIFBEP-CEXWTWQISA-N 2 2 387.572 3.238 20 0 GGADLP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000098034275 1410399237 /nfs/dbraw/zinc/39/92/37/1410399237.db2.gz CQOHNASOWIFBEP-CEXWTWQISA-N 2 2 387.572 3.238 20 0 GGADLP c1cn(-c2ccc(C[NH+]3CCN(c4ncnc5sccc54)CC3)cc2)c[nH+]1 ZINC000101544019 1410457107 /nfs/dbraw/zinc/45/71/07/1410457107.db2.gz JWPPPIHVGOJWOV-UHFFFAOYSA-N 2 2 376.489 3.199 20 0 GGADLP O=C(c1ccccc1F)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101544130 1410457578 /nfs/dbraw/zinc/45/75/78/1410457578.db2.gz AETNHWJGOWEKTO-UHFFFAOYSA-N 2 2 378.451 3.360 20 0 GGADLP O=C(c1ccccc1F)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000101544130 1410457582 /nfs/dbraw/zinc/45/75/82/1410457582.db2.gz AETNHWJGOWEKTO-UHFFFAOYSA-N 2 2 378.451 3.360 20 0 GGADLP Cc1[nH+]ccn1CCCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000101648509 1410485781 /nfs/dbraw/zinc/48/57/81/1410485781.db2.gz JHBCSZLYRVHXCO-UHFFFAOYSA-N 2 2 376.451 3.031 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000101691705 1410491656 /nfs/dbraw/zinc/49/16/56/1410491656.db2.gz VUJXWSYKNQJZFB-HSZRJFAPSA-N 2 2 395.547 3.291 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](Oc1ccccc1)c1ccccc1 ZINC000101691705 1410491658 /nfs/dbraw/zinc/49/16/58/1410491658.db2.gz VUJXWSYKNQJZFB-HSZRJFAPSA-N 2 2 395.547 3.291 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccco1 ZINC000102003858 1410541482 /nfs/dbraw/zinc/54/14/82/1410541482.db2.gz JHARPAKWZVCAIM-IBGZPJMESA-N 2 2 381.480 3.348 20 0 GGADLP CC[N@H+](CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000102571530 1410652498 /nfs/dbraw/zinc/65/24/98/1410652498.db2.gz OWSDIMJDKIHPSC-QZTJIDSGSA-N 2 2 376.545 3.148 20 0 GGADLP CC[N@@H+](CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000102571530 1410652514 /nfs/dbraw/zinc/65/25/14/1410652514.db2.gz OWSDIMJDKIHPSC-QZTJIDSGSA-N 2 2 376.545 3.148 20 0 GGADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)c1ccccc1 ZINC000102807155 1410771404 /nfs/dbraw/zinc/77/14/04/1410771404.db2.gz ZFFLUYFXYONCJS-GOSISDBHSA-N 2 2 386.584 3.211 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC000103077365 1410826134 /nfs/dbraw/zinc/82/61/34/1410826134.db2.gz XHYSVMJTQTVMNR-IBGZPJMESA-N 2 2 397.485 3.397 20 0 GGADLP CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000103143325 1410831452 /nfs/dbraw/zinc/83/14/52/1410831452.db2.gz FIQYPTFGXNRZGH-UHFFFAOYSA-N 2 2 384.524 3.016 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1C ZINC000103268533 1410842108 /nfs/dbraw/zinc/84/21/08/1410842108.db2.gz ZKIUXNSCDLXBDI-FQEVSTJZSA-N 2 2 396.535 3.071 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1C ZINC000103268533 1410842111 /nfs/dbraw/zinc/84/21/11/1410842111.db2.gz ZKIUXNSCDLXBDI-FQEVSTJZSA-N 2 2 396.535 3.071 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(OC)c1 ZINC000103301030 1410844659 /nfs/dbraw/zinc/84/46/59/1410844659.db2.gz JIIZFCWCAXWLCJ-NRFANRHFSA-N 2 2 399.539 3.321 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC1 ZINC000103303218 1410844677 /nfs/dbraw/zinc/84/46/77/1410844677.db2.gz SUQBHQBKSYCCDK-UHFFFAOYSA-N 2 2 381.524 3.203 20 0 GGADLP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000103304469 1410845072 /nfs/dbraw/zinc/84/50/72/1410845072.db2.gz PAFNYVOFARQDHV-UHFFFAOYSA-N 2 2 399.539 3.150 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[NH+](C)Cc4ccccc43)cc2)C[C@H](C)O1 ZINC000103411319 1410853968 /nfs/dbraw/zinc/85/39/68/1410853968.db2.gz NEUZRLMAEPGWBT-KDURUIRLSA-N 2 2 393.531 3.388 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[NH+](C)Cc4ccccc43)cc2)C[C@H](C)O1 ZINC000103411319 1410853969 /nfs/dbraw/zinc/85/39/69/1410853969.db2.gz NEUZRLMAEPGWBT-KDURUIRLSA-N 2 2 393.531 3.388 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+](C)Cc4ccccc43)cc2)C[C@H](C)O1 ZINC000103411319 1410853971 /nfs/dbraw/zinc/85/39/71/1410853971.db2.gz NEUZRLMAEPGWBT-KDURUIRLSA-N 2 2 393.531 3.388 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)cc2)C[C@H](C)O1 ZINC000103411319 1410853972 /nfs/dbraw/zinc/85/39/72/1410853972.db2.gz NEUZRLMAEPGWBT-KDURUIRLSA-N 2 2 393.531 3.388 20 0 GGADLP Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)n1C1CC1 ZINC000103481218 1410862547 /nfs/dbraw/zinc/86/25/47/1410862547.db2.gz CSYKVCJPWCJYOP-ROUUACIJSA-N 2 2 387.568 3.444 20 0 GGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000103481155 1410862678 /nfs/dbraw/zinc/86/26/78/1410862678.db2.gz XASIRQIUPFUNIC-IAGOWNOFSA-N 2 2 383.536 3.480 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000103870119 1410877860 /nfs/dbraw/zinc/87/78/60/1410877860.db2.gz SJIPXBGOPVYTSN-QFIPXVFZSA-N 2 2 384.568 3.386 20 0 GGADLP COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)[NH+](C)C)c1 ZINC000104155480 1410885873 /nfs/dbraw/zinc/88/58/73/1410885873.db2.gz QAPKWHKQAOMLBM-QGZVFWFLSA-N 2 2 376.888 3.387 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000105089027 1411026587 /nfs/dbraw/zinc/02/65/87/1411026587.db2.gz VHJWQVJQBFOZJV-GOSISDBHSA-N 2 2 386.584 3.294 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc2c(c1)CCCC2 ZINC000105089027 1411026592 /nfs/dbraw/zinc/02/65/92/1411026592.db2.gz VHJWQVJQBFOZJV-GOSISDBHSA-N 2 2 386.584 3.294 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105103975 1411029308 /nfs/dbraw/zinc/02/93/08/1411029308.db2.gz IBELCYSIMSOUET-HXUWFJFHSA-N 2 2 385.556 3.232 20 0 GGADLP CC(C)Oc1cccc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000105132627 1411033651 /nfs/dbraw/zinc/03/36/51/1411033651.db2.gz XCTSXRLINOTTBT-SFHVURJKSA-N 2 2 390.572 3.202 20 0 GGADLP CC(C)Oc1cccc([C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000105132627 1411033659 /nfs/dbraw/zinc/03/36/59/1411033659.db2.gz XCTSXRLINOTTBT-SFHVURJKSA-N 2 2 390.572 3.202 20 0 GGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105145211 1411034319 /nfs/dbraw/zinc/03/43/19/1411034319.db2.gz CLOYOMIKFITNOK-LJQANCHMSA-N 2 2 390.572 3.269 20 0 GGADLP Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105145211 1411034328 /nfs/dbraw/zinc/03/43/28/1411034328.db2.gz CLOYOMIKFITNOK-LJQANCHMSA-N 2 2 390.572 3.269 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000105171657 1411038289 /nfs/dbraw/zinc/03/82/89/1411038289.db2.gz WAVKHHUIKQDKHO-UHFFFAOYSA-N 2 2 394.991 3.285 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)c1ccc(Cl)cc1 ZINC000105171657 1411038298 /nfs/dbraw/zinc/03/82/98/1411038298.db2.gz WAVKHHUIKQDKHO-UHFFFAOYSA-N 2 2 394.991 3.285 20 0 GGADLP COc1ccc([C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000105174584 1411038484 /nfs/dbraw/zinc/03/84/84/1411038484.db2.gz TZGKCGYDHHFHMT-HSZRJFAPSA-N 2 2 395.547 3.470 20 0 GGADLP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000105174584 1411038494 /nfs/dbraw/zinc/03/84/94/1411038494.db2.gz TZGKCGYDHHFHMT-HSZRJFAPSA-N 2 2 395.547 3.470 20 0 GGADLP C[C@H](CC(C)(C)c1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105196416 1411040669 /nfs/dbraw/zinc/04/06/69/1411040669.db2.gz SLLPPKMGGLCXRZ-LJQANCHMSA-N 2 2 388.600 3.410 20 0 GGADLP C[C@H](CC(C)(C)c1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105196416 1411040680 /nfs/dbraw/zinc/04/06/80/1411040680.db2.gz SLLPPKMGGLCXRZ-LJQANCHMSA-N 2 2 388.600 3.410 20 0 GGADLP C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105196411 1411040827 /nfs/dbraw/zinc/04/08/27/1411040827.db2.gz SLLPPKMGGLCXRZ-IBGZPJMESA-N 2 2 388.600 3.410 20 0 GGADLP C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105196411 1411040833 /nfs/dbraw/zinc/04/08/33/1411040833.db2.gz SLLPPKMGGLCXRZ-IBGZPJMESA-N 2 2 388.600 3.410 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCCCCNc2cccc[nH+]2)[NH+]2CCCC2)o1 ZINC000105222237 1411043434 /nfs/dbraw/zinc/04/34/34/1411043434.db2.gz LJTDPGSFZZUOIF-SFHVURJKSA-N 2 2 385.512 3.311 20 0 GGADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000105352517 1411057197 /nfs/dbraw/zinc/05/71/97/1411057197.db2.gz HSFXTEDLXNGBJS-UHFFFAOYSA-N 2 2 385.512 3.473 20 0 GGADLP COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000105820900 1411126292 /nfs/dbraw/zinc/12/62/92/1411126292.db2.gz XQYKUPNUNKMXRS-FQEVSTJZSA-N 2 2 395.547 3.341 20 0 GGADLP COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000105820900 1411126305 /nfs/dbraw/zinc/12/63/05/1411126305.db2.gz XQYKUPNUNKMXRS-FQEVSTJZSA-N 2 2 395.547 3.341 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)c1C ZINC000107385505 1411369465 /nfs/dbraw/zinc/36/94/65/1411369465.db2.gz KYFPIHCLMJWQDX-UHFFFAOYSA-N 2 2 386.496 3.359 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000107745860 1411405197 /nfs/dbraw/zinc/40/51/97/1411405197.db2.gz ZIHKSGQSLOIPQV-VQTJNVASSA-N 2 2 390.959 3.054 20 0 GGADLP CCCOc1cc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)ccc1OC ZINC000109070077 1411675370 /nfs/dbraw/zinc/67/53/70/1411675370.db2.gz LZOIUNFRTVPQJB-QGZVFWFLSA-N 2 2 385.512 3.074 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(OCC(F)(F)F)c2)nc[nH+]1 ZINC000109070437 1411675684 /nfs/dbraw/zinc/67/56/84/1411675684.db2.gz IIVXLHXTLZOEQM-OAHLLOKOSA-N 2 2 395.429 3.218 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(Br)cs2)nc[nH+]1 ZINC000109070269 1411675757 /nfs/dbraw/zinc/67/57/57/1411675757.db2.gz GINDUPBMZRTFBF-LBPRGKRZSA-N 2 2 382.331 3.101 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(Br)s2)nc[nH+]1 ZINC000109070214 1411675800 /nfs/dbraw/zinc/67/58/00/1411675800.db2.gz NXQNCCFRKTZBPR-NSHDSACASA-N 2 2 382.331 3.101 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2csc(-c3ccsc3)n2)nc[nH+]1 ZINC000109070239 1411676189 /nfs/dbraw/zinc/67/61/89/1411676189.db2.gz XWTBOZBJLWJYOR-OAHLLOKOSA-N 2 2 386.550 3.462 20 0 GGADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000109312618 1411738643 /nfs/dbraw/zinc/73/86/43/1411738643.db2.gz SWNSTEXOWUPLJT-QFIPXVFZSA-N 2 2 389.503 3.394 20 0 GGADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000109312618 1411738645 /nfs/dbraw/zinc/73/86/45/1411738645.db2.gz SWNSTEXOWUPLJT-QFIPXVFZSA-N 2 2 389.503 3.394 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794698 1411811003 /nfs/dbraw/zinc/81/10/03/1411811003.db2.gz QLEWZNTUPZYVSR-CYBMUJFWSA-N 2 2 382.386 3.446 20 0 GGADLP CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109796162 1411811212 /nfs/dbraw/zinc/81/12/12/1411811212.db2.gz ANIZFIXKXRSHBU-MRXNPFEDSA-N 2 2 384.480 3.112 20 0 GGADLP CC1CC[NH+](CCCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000110069738 1411829584 /nfs/dbraw/zinc/82/95/84/1411829584.db2.gz VKRXZPZKZRLGMR-UHFFFAOYSA-N 2 2 385.512 3.206 20 0 GGADLP OC[C@H]1CCCN(c2cc(NCc3ccc(C[NH+]4CCCCC4)cc3)[nH+]cn2)C1 ZINC000110123757 1411832796 /nfs/dbraw/zinc/83/27/96/1411832796.db2.gz GYTWEZKZFMYZOZ-NRFANRHFSA-N 2 2 395.551 3.283 20 0 GGADLP OC[C@H]1CCCN(c2cc(NCc3ccc(C[NH+]4CCCCC4)cc3)nc[nH+]2)C1 ZINC000110123757 1411832797 /nfs/dbraw/zinc/83/27/97/1411832797.db2.gz GYTWEZKZFMYZOZ-NRFANRHFSA-N 2 2 395.551 3.283 20 0 GGADLP CCc1nc(C[NH+]2CCC(CNC(=O)CCCn3cc[nH+]c3C)CC2)cs1 ZINC000111043513 1411883743 /nfs/dbraw/zinc/88/37/43/1411883743.db2.gz IRJQYOTXBJAHQU-UHFFFAOYSA-N 2 2 389.569 3.019 20 0 GGADLP CC[NH+](CC)[C@@H](C(=O)NCC[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000111044963 1411884167 /nfs/dbraw/zinc/88/41/67/1411884167.db2.gz UDGWTVOWTITBDB-HSZRJFAPSA-N 2 2 394.563 3.008 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000111243201 1411897527 /nfs/dbraw/zinc/89/75/27/1411897527.db2.gz VPRLRFKEMPXJDF-CQSZACIVSA-N 2 2 396.413 3.296 20 0 GGADLP C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000111448554 1411957494 /nfs/dbraw/zinc/95/74/94/1411957494.db2.gz OINTUJVZSMHKEI-GOSISDBHSA-N 2 2 381.524 3.002 20 0 GGADLP C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000111448554 1411957534 /nfs/dbraw/zinc/95/75/34/1411957534.db2.gz OINTUJVZSMHKEI-GOSISDBHSA-N 2 2 381.524 3.002 20 0 GGADLP C[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000111479780 1411975410 /nfs/dbraw/zinc/97/54/10/1411975410.db2.gz ITWXLMPCKAINTD-GOSISDBHSA-N 2 2 377.492 3.192 20 0 GGADLP C[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111479780 1411975426 /nfs/dbraw/zinc/97/54/26/1411975426.db2.gz ITWXLMPCKAINTD-GOSISDBHSA-N 2 2 377.492 3.192 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000111491609 1411980639 /nfs/dbraw/zinc/98/06/39/1411980639.db2.gz VORCBEUYANAPRW-VXKWHMMOSA-N 2 2 384.568 3.181 20 0 GGADLP C[C@H](c1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1)[NH+]1CCOCC1 ZINC000111611941 1412001463 /nfs/dbraw/zinc/00/14/63/1412001463.db2.gz APWNERWPYOQPIU-MOPGFXCFSA-N 2 2 393.531 3.465 20 0 GGADLP C[C@H](c1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1)[NH+]1CCOCC1 ZINC000111611941 1412001467 /nfs/dbraw/zinc/00/14/67/1412001467.db2.gz APWNERWPYOQPIU-MOPGFXCFSA-N 2 2 393.531 3.465 20 0 GGADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000111857270 1412039824 /nfs/dbraw/zinc/03/98/24/1412039824.db2.gz GUJFIJWOHINLMJ-SFHVURJKSA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000111857270 1412039830 /nfs/dbraw/zinc/03/98/30/1412039830.db2.gz GUJFIJWOHINLMJ-SFHVURJKSA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc(-c4ccsc4)s3)CC2)CC1 ZINC000112280688 1412119539 /nfs/dbraw/zinc/11/95/39/1412119539.db2.gz IYFMCJMBGQNFMI-UHFFFAOYSA-N 2 2 390.578 3.160 20 0 GGADLP CC(C)c1ccc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000112505832 1412158948 /nfs/dbraw/zinc/15/89/48/1412158948.db2.gz MMOSLMBMENAZSI-NRFANRHFSA-N 2 2 395.551 3.195 20 0 GGADLP CCOc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000112681605 1412191492 /nfs/dbraw/zinc/19/14/92/1412191492.db2.gz BNKKRJASYKHEDL-UHFFFAOYSA-N 2 2 382.936 3.228 20 0 GGADLP CCOc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000112681605 1412191500 /nfs/dbraw/zinc/19/15/00/1412191500.db2.gz BNKKRJASYKHEDL-UHFFFAOYSA-N 2 2 382.936 3.228 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000112681693 1412192053 /nfs/dbraw/zinc/19/20/53/1412192053.db2.gz UKCZAYZTKSKLBU-UHFFFAOYSA-N 2 2 390.425 3.334 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000112681693 1412192058 /nfs/dbraw/zinc/19/20/58/1412192058.db2.gz UKCZAYZTKSKLBU-UHFFFAOYSA-N 2 2 390.425 3.334 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000112921422 1412240676 /nfs/dbraw/zinc/24/06/76/1412240676.db2.gz BVOOMRCPQBTQMK-UHFFFAOYSA-N 2 2 398.576 3.331 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000112921422 1412240690 /nfs/dbraw/zinc/24/06/90/1412240690.db2.gz BVOOMRCPQBTQMK-UHFFFAOYSA-N 2 2 398.576 3.331 20 0 GGADLP C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)CC[N@H+](C)C4CC[NH+](C)CC4)cc3c2C1 ZINC000112921376 1412241040 /nfs/dbraw/zinc/24/10/40/1412241040.db2.gz AOWFVEMFBFVHEU-KRWDZBQOSA-N 2 2 396.579 3.391 20 0 GGADLP C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)CC[N@@H+](C)C4CC[NH+](C)CC4)cc3c2C1 ZINC000112921376 1412241044 /nfs/dbraw/zinc/24/10/44/1412241044.db2.gz AOWFVEMFBFVHEU-KRWDZBQOSA-N 2 2 396.579 3.391 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000112921406 1412241638 /nfs/dbraw/zinc/24/16/38/1412241638.db2.gz FNQYVKXJEKXGLG-UHFFFAOYSA-N 2 2 380.536 3.210 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C2CC2)nc2ccccc21 ZINC000112921406 1412241643 /nfs/dbraw/zinc/24/16/43/1412241643.db2.gz FNQYVKXJEKXGLG-UHFFFAOYSA-N 2 2 380.536 3.210 20 0 GGADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113254900 1412283433 /nfs/dbraw/zinc/28/34/33/1412283433.db2.gz SUYHYKSVLYZYGB-QGZVFWFLSA-N 2 2 378.398 3.344 20 0 GGADLP C[C@H](C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)N1CC[NH+](C)CC1 ZINC000113336571 1412294342 /nfs/dbraw/zinc/29/43/42/1412294342.db2.gz HKYWXSABQBALTH-OAHLLOKOSA-N 2 2 394.972 3.101 20 0 GGADLP CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000177228457 1428641591 /nfs/dbraw/zinc/64/15/91/1428641591.db2.gz IPNDCIUMHUZIOA-UHFFFAOYSA-N 2 2 389.540 3.008 20 0 GGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000113625418 1412323095 /nfs/dbraw/zinc/32/30/95/1412323095.db2.gz QHVKYCBSDKDPHR-GOSISDBHSA-N 2 2 381.524 3.043 20 0 GGADLP CC[NH+]1CCN(Cc2ccc(NC(=O)CCn3cc[nH+]c3C(C)C)cc2)CC1 ZINC000114169935 1412386302 /nfs/dbraw/zinc/38/63/02/1412386302.db2.gz IMNTVKNUWWYCHN-UHFFFAOYSA-N 2 2 383.540 3.173 20 0 GGADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CCCC2)no1 ZINC000114175660 1412387488 /nfs/dbraw/zinc/38/74/88/1412387488.db2.gz IWHFNQGQGJTPCB-QGZVFWFLSA-N 2 2 391.560 3.061 20 0 GGADLP CCC(CC)[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000177249089 1428651028 /nfs/dbraw/zinc/65/10/28/1428651028.db2.gz CUCMCTHQLPZIDP-NRFANRHFSA-N 2 2 379.589 3.037 20 0 GGADLP CCC(CC)[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[NH+]1CCOCC1 ZINC000177249100 1428651368 /nfs/dbraw/zinc/65/13/68/1428651368.db2.gz CUCMCTHQLPZIDP-OAQYLSRUSA-N 2 2 379.589 3.037 20 0 GGADLP COc1ccc(COC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114481015 1412442250 /nfs/dbraw/zinc/44/22/50/1412442250.db2.gz NULKBMPTJWUATJ-QHCPKHFHSA-N 2 2 398.547 3.169 20 0 GGADLP COc1ccc(COC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114481015 1412442255 /nfs/dbraw/zinc/44/22/55/1412442255.db2.gz NULKBMPTJWUATJ-QHCPKHFHSA-N 2 2 398.547 3.169 20 0 GGADLP CCCOc1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000114691031 1412498804 /nfs/dbraw/zinc/49/88/04/1412498804.db2.gz ZXWLYSCFNVOITO-UHFFFAOYSA-N 2 2 398.551 3.122 20 0 GGADLP CCCOc1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000114691031 1412498810 /nfs/dbraw/zinc/49/88/10/1412498810.db2.gz ZXWLYSCFNVOITO-UHFFFAOYSA-N 2 2 398.551 3.122 20 0 GGADLP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177260576 1428658509 /nfs/dbraw/zinc/65/85/09/1428658509.db2.gz ARJQKVGZOMIDRJ-QHCPKHFHSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1ccc(C)c(OC[C@@H](O)C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177260576 1428658512 /nfs/dbraw/zinc/65/85/12/1428658512.db2.gz ARJQKVGZOMIDRJ-QHCPKHFHSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)[NH+](C)C)cc1 ZINC000114789240 1412524625 /nfs/dbraw/zinc/52/46/25/1412524625.db2.gz XLBGPWALAIKPKW-UGKGYDQZSA-N 2 2 395.551 3.081 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)[NH+](C)C)cc1 ZINC000114789242 1412525155 /nfs/dbraw/zinc/52/51/55/1412525155.db2.gz XLBGPWALAIKPKW-DENIHFKCSA-N 2 2 395.551 3.081 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114834833 1412536420 /nfs/dbraw/zinc/53/64/20/1412536420.db2.gz QZQMFSKHRNUOFC-FQEVSTJZSA-N 2 2 381.524 3.238 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114834833 1412536425 /nfs/dbraw/zinc/53/64/25/1412536425.db2.gz QZQMFSKHRNUOFC-FQEVSTJZSA-N 2 2 381.524 3.238 20 0 GGADLP Cc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000177258148 1428656456 /nfs/dbraw/zinc/65/64/56/1428656456.db2.gz NKMJZSCXUSUISC-QHCPKHFHSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1ccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000177258148 1428656463 /nfs/dbraw/zinc/65/64/63/1428656463.db2.gz NKMJZSCXUSUISC-QHCPKHFHSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC000115615271 1412735867 /nfs/dbraw/zinc/73/58/67/1412735867.db2.gz JPOOFHRNJCDKGP-FQEVSTJZSA-N 2 2 387.499 3.426 20 0 GGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)o1 ZINC000115615271 1412735878 /nfs/dbraw/zinc/73/58/78/1412735878.db2.gz JPOOFHRNJCDKGP-FQEVSTJZSA-N 2 2 387.499 3.426 20 0 GGADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc2ccccc2c1 ZINC000115642740 1412742963 /nfs/dbraw/zinc/74/29/63/1412742963.db2.gz SYTMOVBVEWPWJQ-UHFFFAOYSA-N 2 2 388.515 3.406 20 0 GGADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc2ccccc2c1 ZINC000115642740 1412742978 /nfs/dbraw/zinc/74/29/78/1412742978.db2.gz SYTMOVBVEWPWJQ-UHFFFAOYSA-N 2 2 388.515 3.406 20 0 GGADLP C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000115675712 1412758401 /nfs/dbraw/zinc/75/84/01/1412758401.db2.gz JKPBRGPXRMPZOO-AZUAARDMSA-N 2 2 384.568 3.133 20 0 GGADLP C[C@H]1C[C@H](c2ccccc2)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000115675709 1412758768 /nfs/dbraw/zinc/75/87/68/1412758768.db2.gz JKPBRGPXRMPZOO-ICSRJNTNSA-N 2 2 384.568 3.133 20 0 GGADLP C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000115675707 1412759069 /nfs/dbraw/zinc/75/90/69/1412759069.db2.gz JKPBRGPXRMPZOO-QUCCMNQESA-N 2 2 384.568 3.133 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000116263822 1412846781 /nfs/dbraw/zinc/84/67/81/1412846781.db2.gz SATGGPFYLYFHFC-MOPGFXCFSA-N 2 2 395.551 3.323 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000116263822 1412846783 /nfs/dbraw/zinc/84/67/83/1412846783.db2.gz SATGGPFYLYFHFC-MOPGFXCFSA-N 2 2 395.551 3.323 20 0 GGADLP C[NH+](C)CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)(C)C ZINC000116419885 1412857288 /nfs/dbraw/zinc/85/72/88/1412857288.db2.gz JXAGBUSBYUKKIV-SFHVURJKSA-N 2 2 375.561 3.238 20 0 GGADLP C[NH+](C)CC[C@@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(C)(C)C ZINC000116421153 1412857666 /nfs/dbraw/zinc/85/76/66/1412857666.db2.gz NKJAIKUAKWXZAS-LJQANCHMSA-N 2 2 385.556 3.140 20 0 GGADLP Cc1ccc([C@H](CNC(=O)c2ccc(Cn3cc[nH+]c3)cc2)[NH+]2CCCC2)o1 ZINC000116592929 1412884847 /nfs/dbraw/zinc/88/48/47/1412884847.db2.gz RPGBVRUIUIAZDV-FQEVSTJZSA-N 2 2 378.476 3.400 20 0 GGADLP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000116622619 1412888086 /nfs/dbraw/zinc/88/80/86/1412888086.db2.gz BYWGWQPLILTKBT-UHFFFAOYSA-N 2 2 387.568 3.357 20 0 GGADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000116643803 1412890670 /nfs/dbraw/zinc/89/06/70/1412890670.db2.gz DINGCSHJEVQZAF-QFIPXVFZSA-N 2 2 379.504 3.122 20 0 GGADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000116643803 1412890674 /nfs/dbraw/zinc/89/06/74/1412890674.db2.gz DINGCSHJEVQZAF-QFIPXVFZSA-N 2 2 379.504 3.122 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)Cc3ccccc3)CC2)CC1 ZINC000117407942 1413033734 /nfs/dbraw/zinc/03/37/34/1413033734.db2.gz MYVUTJNKWRVQJE-UHFFFAOYSA-N 2 2 386.584 3.113 20 0 GGADLP COCC[N@H+](C)CC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000117651730 1413061006 /nfs/dbraw/zinc/06/10/06/1413061006.db2.gz UCXLXEFUHOAUGS-QFIPXVFZSA-N 2 2 392.503 3.312 20 0 GGADLP COCC[N@@H+](C)CC[C@H](NC(=O)c1cccc(-n2cc[nH+]c2)c1)c1ccccc1 ZINC000117651730 1413061014 /nfs/dbraw/zinc/06/10/14/1413061014.db2.gz UCXLXEFUHOAUGS-QFIPXVFZSA-N 2 2 392.503 3.312 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117669249 1413063985 /nfs/dbraw/zinc/06/39/85/1413063985.db2.gz PNNIMQAQCJNRJQ-UHFFFAOYSA-N 2 2 384.430 3.355 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)c1cccc(-n2cc[nH+]c2)c1)[NH+]1CCCC1 ZINC000117744504 1413074164 /nfs/dbraw/zinc/07/41/64/1413074164.db2.gz WRIYIEJIRLNPGP-NRFANRHFSA-N 2 2 390.487 3.448 20 0 GGADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117798326 1413080079 /nfs/dbraw/zinc/08/00/79/1413080079.db2.gz BGEAJSMOPRWGFC-QFIPXVFZSA-N 2 2 389.503 3.394 20 0 GGADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117798326 1413080088 /nfs/dbraw/zinc/08/00/88/1413080088.db2.gz BGEAJSMOPRWGFC-QFIPXVFZSA-N 2 2 389.503 3.394 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177346566 1428701108 /nfs/dbraw/zinc/70/11/08/1428701108.db2.gz QCEFAQSAYCALQM-PXNSSMCTSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177346566 1428701113 /nfs/dbraw/zinc/70/11/13/1428701113.db2.gz QCEFAQSAYCALQM-PXNSSMCTSA-N 2 2 388.556 3.281 20 0 GGADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000118545684 1413173825 /nfs/dbraw/zinc/17/38/25/1413173825.db2.gz QDPRDGFAURYEKN-UHFFFAOYSA-N 2 2 385.512 3.473 20 0 GGADLP CC[NH+](CC)CCOc1ccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1 ZINC000118546041 1413174559 /nfs/dbraw/zinc/17/45/59/1413174559.db2.gz AGNQOZZNQUJNNB-UHFFFAOYSA-N 2 2 399.539 3.304 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000118834466 1413237139 /nfs/dbraw/zinc/23/71/39/1413237139.db2.gz XIBNXFAWVBAHIT-NRFANRHFSA-N 2 2 392.547 3.004 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000118834466 1413237152 /nfs/dbraw/zinc/23/71/52/1413237152.db2.gz XIBNXFAWVBAHIT-NRFANRHFSA-N 2 2 392.547 3.004 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000118834464 1413238067 /nfs/dbraw/zinc/23/80/67/1413238067.db2.gz XIBNXFAWVBAHIT-OAQYLSRUSA-N 2 2 392.547 3.004 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccccc3-c3ccccc3)C2)CC1 ZINC000118834464 1413238070 /nfs/dbraw/zinc/23/80/70/1413238070.db2.gz XIBNXFAWVBAHIT-OAQYLSRUSA-N 2 2 392.547 3.004 20 0 GGADLP CC(C)([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1nccs1 ZINC000118847853 1413245893 /nfs/dbraw/zinc/24/58/93/1413245893.db2.gz VTQJOYWXILSAJV-UHFFFAOYSA-N 2 2 390.578 3.155 20 0 GGADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@H]2Cn2cc[nH+]c2)CC1 ZINC000177387124 1428714223 /nfs/dbraw/zinc/71/42/23/1428714223.db2.gz GUAADNRCZQQZQH-QFIPXVFZSA-N 2 2 395.551 3.489 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000119002454 1413300430 /nfs/dbraw/zinc/30/04/30/1413300430.db2.gz KKUCWXQCRPSRGB-IRXDYDNUSA-N 2 2 377.529 3.131 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000119002575 1413300527 /nfs/dbraw/zinc/30/05/27/1413300527.db2.gz KKUCWXQCRPSRGB-DLBZAZTESA-N 2 2 377.529 3.131 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000119010745 1413303301 /nfs/dbraw/zinc/30/33/01/1413303301.db2.gz ODIDHVHTTZIYHW-IRXDYDNUSA-N 2 2 377.529 3.131 20 0 GGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc2cnccn12 ZINC000119023792 1413307877 /nfs/dbraw/zinc/30/78/77/1413307877.db2.gz UWSBZXPEZDAFET-UHFFFAOYSA-N 2 2 390.491 3.417 20 0 GGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc2cnccn12 ZINC000119023792 1413307883 /nfs/dbraw/zinc/30/78/83/1413307883.db2.gz UWSBZXPEZDAFET-UHFFFAOYSA-N 2 2 390.491 3.417 20 0 GGADLP CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119060888 1413321236 /nfs/dbraw/zinc/32/12/36/1413321236.db2.gz SQVFLMUDYTYFCC-RTBURBONSA-N 2 2 375.561 3.086 20 0 GGADLP CCCCCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119065777 1413323670 /nfs/dbraw/zinc/32/36/70/1413323670.db2.gz SVJXDMUBKNILQS-RBUKOAKNSA-N 2 2 375.561 3.231 20 0 GGADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)CC1 ZINC000119093883 1413334541 /nfs/dbraw/zinc/33/45/41/1413334541.db2.gz WZEZNBWGOXDTGY-QGZVFWFLSA-N 2 2 378.586 3.257 20 0 GGADLP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000177409325 1428723381 /nfs/dbraw/zinc/72/33/81/1428723381.db2.gz CVEMQGIFBSYEOI-OAQYLSRUSA-N 2 2 387.593 3.300 20 0 GGADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000119116447 1413343483 /nfs/dbraw/zinc/34/34/83/1413343483.db2.gz GWQSPTJUYQQAMZ-LAUBAEHRSA-N 2 2 387.549 3.373 20 0 GGADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000119116447 1413343491 /nfs/dbraw/zinc/34/34/91/1413343491.db2.gz GWQSPTJUYQQAMZ-LAUBAEHRSA-N 2 2 387.549 3.373 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000119155908 1413358191 /nfs/dbraw/zinc/35/81/91/1413358191.db2.gz XTINUHMPJOJAGE-UHFFFAOYSA-N 2 2 383.540 3.491 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000119170919 1413364426 /nfs/dbraw/zinc/36/44/26/1413364426.db2.gz DEQZAZXYQGJODV-PMACEKPBSA-N 2 2 398.526 3.253 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000119170919 1413364434 /nfs/dbraw/zinc/36/44/34/1413364434.db2.gz DEQZAZXYQGJODV-PMACEKPBSA-N 2 2 398.526 3.253 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000119526299 1413475695 /nfs/dbraw/zinc/47/56/95/1413475695.db2.gz XRBWVNBMRXBBTI-AVRDEDQJSA-N 2 2 389.503 3.192 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000119526299 1413475701 /nfs/dbraw/zinc/47/57/01/1413475701.db2.gz XRBWVNBMRXBBTI-AVRDEDQJSA-N 2 2 389.503 3.192 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000119526159 1413475979 /nfs/dbraw/zinc/47/59/79/1413475979.db2.gz XRBWVNBMRXBBTI-GCJKJVERSA-N 2 2 389.503 3.192 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000119526159 1413475984 /nfs/dbraw/zinc/47/59/84/1413475984.db2.gz XRBWVNBMRXBBTI-GCJKJVERSA-N 2 2 389.503 3.192 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000119676766 1413527335 /nfs/dbraw/zinc/52/73/35/1413527335.db2.gz NNXBEDLJVRQNKI-GOSISDBHSA-N 2 2 389.588 3.306 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119772414 1413563355 /nfs/dbraw/zinc/56/33/55/1413563355.db2.gz MHYCENMULBZCDK-MRXNPFEDSA-N 2 2 394.441 3.055 20 0 GGADLP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000119995312 1413645908 /nfs/dbraw/zinc/64/59/08/1413645908.db2.gz GGRZQXJDMZWYKQ-LJQANCHMSA-N 2 2 397.523 3.203 20 0 GGADLP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCC[C@@H]1C ZINC000120027860 1413659399 /nfs/dbraw/zinc/65/93/99/1413659399.db2.gz ZIBIKFLIEUXTFI-UGKGYDQZSA-N 2 2 387.568 3.036 20 0 GGADLP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCC[C@@H]1C ZINC000120027860 1413659403 /nfs/dbraw/zinc/65/94/03/1413659403.db2.gz ZIBIKFLIEUXTFI-UGKGYDQZSA-N 2 2 387.568 3.036 20 0 GGADLP Cc1ccc2c(C[NH+]3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)cc(=O)oc2c1 ZINC000120047918 1413667148 /nfs/dbraw/zinc/66/71/48/1413667148.db2.gz QOAOTKNUKKQJNS-OALUTQOASA-N 2 2 383.536 3.092 20 0 GGADLP CCc1ccc2c(C[NH+]3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)cc(=O)oc2c1 ZINC000120050728 1413668416 /nfs/dbraw/zinc/66/84/16/1413668416.db2.gz HEKUCNKNXDQSFI-RTBURBONSA-N 2 2 397.563 3.346 20 0 GGADLP CN(C)c1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000120106928 1413690196 /nfs/dbraw/zinc/69/01/96/1413690196.db2.gz CTSLEPAACMHQGP-UHFFFAOYSA-N 2 2 393.963 3.086 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000120619427 1413857156 /nfs/dbraw/zinc/85/71/56/1413857156.db2.gz FZHAIEIYRWWXAE-UHFFFAOYSA-N 2 2 378.879 3.222 20 0 GGADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(F)c1 ZINC000120646620 1413864470 /nfs/dbraw/zinc/86/44/70/1413864470.db2.gz FCYIFMNEPHMKCR-UHFFFAOYSA-N 2 2 387.524 3.445 20 0 GGADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccc(F)c1 ZINC000120646620 1413864474 /nfs/dbraw/zinc/86/44/74/1413864474.db2.gz FCYIFMNEPHMKCR-UHFFFAOYSA-N 2 2 387.524 3.445 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000177493014 1428767310 /nfs/dbraw/zinc/76/73/10/1428767310.db2.gz JFTKSDIISHIJHB-IYBDPMFKSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000177493014 1428767314 /nfs/dbraw/zinc/76/73/14/1428767314.db2.gz JFTKSDIISHIJHB-IYBDPMFKSA-N 2 2 395.494 3.115 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000177485534 1428762740 /nfs/dbraw/zinc/76/27/40/1428762740.db2.gz TXWRHCIBZOPWDV-DLBZAZTESA-N 2 2 395.975 3.385 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000177485556 1428762875 /nfs/dbraw/zinc/76/28/75/1428762875.db2.gz TXWRHCIBZOPWDV-SJORKVTESA-N 2 2 395.975 3.385 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000120771423 1413898017 /nfs/dbraw/zinc/89/80/17/1413898017.db2.gz ZNGFCAYGOCSSKM-HNNXBMFYSA-N 2 2 376.467 3.127 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000120771423 1413898018 /nfs/dbraw/zinc/89/80/18/1413898018.db2.gz ZNGFCAYGOCSSKM-HNNXBMFYSA-N 2 2 376.467 3.127 20 0 GGADLP Cc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177490092 1428765649 /nfs/dbraw/zinc/76/56/49/1428765649.db2.gz ALOBBNNHFWRCQO-MRXNPFEDSA-N 2 2 381.948 3.454 20 0 GGADLP c1cc(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)cc(C[NH+]2CCOCC2)c1 ZINC000120851223 1413926503 /nfs/dbraw/zinc/92/65/03/1413926503.db2.gz OBIMJWSBFVSJJN-DEOSSOPVSA-N 2 2 396.531 3.366 20 0 GGADLP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000177492224 1428766507 /nfs/dbraw/zinc/76/65/07/1428766507.db2.gz QIFJBIGMBZSUCH-MOPGFXCFSA-N 2 2 389.584 3.294 20 0 GGADLP CSc1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000177491197 1428766668 /nfs/dbraw/zinc/76/66/68/1428766668.db2.gz VJQRBOWDUJKJQA-MRXNPFEDSA-N 2 2 379.570 3.215 20 0 GGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177492113 1428766773 /nfs/dbraw/zinc/76/67/73/1428766773.db2.gz XHBLYBSSQAUPOX-RTBURBONSA-N 2 2 375.557 3.040 20 0 GGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C2CC2)c1 ZINC000121041313 1413986909 /nfs/dbraw/zinc/98/69/09/1413986909.db2.gz GCKHRGVUYCMDER-ISKFKSNPSA-N 2 2 380.532 3.025 20 0 GGADLP COc1cccc(C[C@@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C2CC2)c1 ZINC000121041313 1413986914 /nfs/dbraw/zinc/98/69/14/1413986914.db2.gz GCKHRGVUYCMDER-ISKFKSNPSA-N 2 2 380.532 3.025 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000121139503 1414021524 /nfs/dbraw/zinc/02/15/24/1414021524.db2.gz WRBSDULBLRUYIZ-KRWDZBQOSA-N 2 2 399.539 3.070 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000121139503 1414021529 /nfs/dbraw/zinc/02/15/29/1414021529.db2.gz WRBSDULBLRUYIZ-KRWDZBQOSA-N 2 2 399.539 3.070 20 0 GGADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000121182650 1414036311 /nfs/dbraw/zinc/03/63/11/1414036311.db2.gz LPPFEFRGOOSULG-NRFANRHFSA-N 2 2 388.458 3.453 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000177503760 1428773029 /nfs/dbraw/zinc/77/30/29/1428773029.db2.gz BPNCXDDJZWFSFN-IYBDPMFKSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000177503760 1428773037 /nfs/dbraw/zinc/77/30/37/1428773037.db2.gz BPNCXDDJZWFSFN-IYBDPMFKSA-N 2 2 395.494 3.115 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(F)ccc3Br)cn2)CC1 ZINC000121361130 1414094797 /nfs/dbraw/zinc/09/47/97/1414094797.db2.gz ZVSAVSSGHZLUGE-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000121401594 1414108690 /nfs/dbraw/zinc/10/86/90/1414108690.db2.gz ZQPKPUVBQHNZTC-OAQYLSRUSA-N 2 2 389.503 3.247 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000121401594 1414108699 /nfs/dbraw/zinc/10/86/99/1414108699.db2.gz ZQPKPUVBQHNZTC-OAQYLSRUSA-N 2 2 389.503 3.247 20 0 GGADLP C[C@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000121644114 1414210873 /nfs/dbraw/zinc/21/08/73/1414210873.db2.gz LOVJYQVMLDCMED-WFASDCNBSA-N 2 2 391.269 3.094 20 0 GGADLP C[C@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000121644114 1414210880 /nfs/dbraw/zinc/21/08/80/1414210880.db2.gz LOVJYQVMLDCMED-WFASDCNBSA-N 2 2 391.269 3.094 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000121753489 1414246668 /nfs/dbraw/zinc/24/66/68/1414246668.db2.gz YYSVDRSYZTXPOW-WIYYLYMNSA-N 2 2 393.535 3.144 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000121753489 1414246674 /nfs/dbraw/zinc/24/66/74/1414246674.db2.gz YYSVDRSYZTXPOW-WIYYLYMNSA-N 2 2 393.535 3.144 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000121756860 1414248146 /nfs/dbraw/zinc/24/81/46/1414248146.db2.gz GSZPFULGBJVOIK-OALUTQOASA-N 2 2 395.551 3.386 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000122080047 1414357990 /nfs/dbraw/zinc/35/79/90/1414357990.db2.gz OAVKZXNPZCRJEV-UHFFFAOYSA-N 2 2 381.948 3.349 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000122080047 1414357996 /nfs/dbraw/zinc/35/79/96/1414357996.db2.gz OAVKZXNPZCRJEV-UHFFFAOYSA-N 2 2 381.948 3.349 20 0 GGADLP COCc1c(Cl)cccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122196452 1414385634 /nfs/dbraw/zinc/38/56/34/1414385634.db2.gz NZOLGUJXSXCPIR-UHFFFAOYSA-N 2 2 394.947 3.167 20 0 GGADLP Cc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1-c1ncco1 ZINC000122225838 1414393960 /nfs/dbraw/zinc/39/39/60/1414393960.db2.gz FMPKIIQOSLBVMF-UHFFFAOYSA-N 2 2 397.523 3.330 20 0 GGADLP CC1CC[NH+](C2CCC(NC(=O)NCCc3cn4c([nH+]3)CCCC4)CC2)CC1 ZINC000122254871 1414402671 /nfs/dbraw/zinc/40/26/71/1414402671.db2.gz NWCGAXZPJRMGQK-UHFFFAOYSA-N 2 2 387.572 3.104 20 0 GGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000122355957 1414433048 /nfs/dbraw/zinc/43/30/48/1414433048.db2.gz UGKBJNPNHMBBBT-KRWDZBQOSA-N 2 2 391.523 3.048 20 0 GGADLP O=C1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000122684420 1414537912 /nfs/dbraw/zinc/53/79/12/1414537912.db2.gz CBHIDCYRPKWPRE-LJQANCHMSA-N 2 2 393.478 3.247 20 0 GGADLP Cc1cc(CCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000177629807 1428816571 /nfs/dbraw/zinc/81/65/71/1428816571.db2.gz UNOVIGMQAFOGMF-UHFFFAOYSA-N 2 2 377.598 3.362 20 0 GGADLP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000122957884 1414605275 /nfs/dbraw/zinc/60/52/75/1414605275.db2.gz MSPJZCJONQLPOP-VQTJNVASSA-N 2 2 389.540 3.054 20 0 GGADLP CCCc1cc(N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c2ccccc2[nH+]1 ZINC000123397162 1414716534 /nfs/dbraw/zinc/71/65/34/1414716534.db2.gz JYXGEYDNEBDZMQ-UHFFFAOYSA-N 2 2 387.491 3.191 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000123503184 1414753969 /nfs/dbraw/zinc/75/39/69/1414753969.db2.gz GPRNBELDKMJFBG-CQSZACIVSA-N 2 2 380.414 3.332 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000123503184 1414753979 /nfs/dbraw/zinc/75/39/79/1414753979.db2.gz GPRNBELDKMJFBG-CQSZACIVSA-N 2 2 380.414 3.332 20 0 GGADLP COc1ccc2oc(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)cc2c1 ZINC000123513219 1414758033 /nfs/dbraw/zinc/75/80/33/1414758033.db2.gz GTRLPFCFOUZWAC-UHFFFAOYSA-N 2 2 379.504 3.479 20 0 GGADLP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000123560988 1414774773 /nfs/dbraw/zinc/77/47/73/1414774773.db2.gz OMDNCCLDNIVDAI-MRXNPFEDSA-N 2 2 381.480 3.324 20 0 GGADLP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000123560988 1414774778 /nfs/dbraw/zinc/77/47/78/1414774778.db2.gz OMDNCCLDNIVDAI-MRXNPFEDSA-N 2 2 381.480 3.324 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000123647026 1414803568 /nfs/dbraw/zinc/80/35/68/1414803568.db2.gz QJLJHFBTQNQPGG-AWEZNQCLSA-N 2 2 380.414 3.332 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000123647026 1414803569 /nfs/dbraw/zinc/80/35/69/1414803569.db2.gz QJLJHFBTQNQPGG-AWEZNQCLSA-N 2 2 380.414 3.332 20 0 GGADLP CCCn1c2ccccc2nc1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000123679121 1414808490 /nfs/dbraw/zinc/80/84/90/1414808490.db2.gz OKCVCGXJEUHJHC-UHFFFAOYSA-N 2 2 391.563 3.484 20 0 GGADLP CCCn1c2ccccc2nc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000123679121 1414808495 /nfs/dbraw/zinc/80/84/95/1414808495.db2.gz OKCVCGXJEUHJHC-UHFFFAOYSA-N 2 2 391.563 3.484 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000123698478 1414811829 /nfs/dbraw/zinc/81/18/29/1414811829.db2.gz VLVPYHVTTAOOSM-AWEZNQCLSA-N 2 2 391.313 3.076 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000123698478 1414811834 /nfs/dbraw/zinc/81/18/34/1414811834.db2.gz VLVPYHVTTAOOSM-AWEZNQCLSA-N 2 2 391.313 3.076 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000123698668 1414811876 /nfs/dbraw/zinc/81/18/76/1414811876.db2.gz VLVPYHVTTAOOSM-CQSZACIVSA-N 2 2 391.313 3.076 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000123698668 1414811879 /nfs/dbraw/zinc/81/18/79/1414811879.db2.gz VLVPYHVTTAOOSM-CQSZACIVSA-N 2 2 391.313 3.076 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c1 ZINC000123701021 1414812021 /nfs/dbraw/zinc/81/20/21/1414812021.db2.gz CGSMBMJRAQUBEQ-INIZCTEOSA-N 2 2 394.475 3.396 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)c(OC)c1 ZINC000123702064 1414812304 /nfs/dbraw/zinc/81/23/04/1414812304.db2.gz VEFMFOCXRZJXFD-MRXNPFEDSA-N 2 2 394.475 3.396 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000123780459 1414823694 /nfs/dbraw/zinc/82/36/94/1414823694.db2.gz ADTVSRWETBNZBS-AWEZNQCLSA-N 2 2 396.413 3.212 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000123780459 1414823695 /nfs/dbraw/zinc/82/36/95/1414823695.db2.gz ADTVSRWETBNZBS-AWEZNQCLSA-N 2 2 396.413 3.212 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000123806115 1414827089 /nfs/dbraw/zinc/82/70/89/1414827089.db2.gz QVNTUUBDNOKSTC-CQSZACIVSA-N 2 2 380.414 3.332 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000123806115 1414827090 /nfs/dbraw/zinc/82/70/90/1414827090.db2.gz QVNTUUBDNOKSTC-CQSZACIVSA-N 2 2 380.414 3.332 20 0 GGADLP CC[NH2+]Cc1cccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000123877412 1414841041 /nfs/dbraw/zinc/84/10/41/1414841041.db2.gz ACGXNIFTARQTKG-KRWDZBQOSA-N 2 2 384.499 3.084 20 0 GGADLP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124246284 1414918980 /nfs/dbraw/zinc/91/89/80/1414918980.db2.gz PGPNXUXZJZVSRG-ZIAGYGMSSA-N 2 2 385.537 3.389 20 0 GGADLP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124246284 1414918984 /nfs/dbraw/zinc/91/89/84/1414918984.db2.gz PGPNXUXZJZVSRG-ZIAGYGMSSA-N 2 2 385.537 3.389 20 0 GGADLP COc1ccc2oc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)cc2c1 ZINC000124332138 1414941175 /nfs/dbraw/zinc/94/11/75/1414941175.db2.gz PALNEBHBZJTJCY-UHFFFAOYSA-N 2 2 396.487 3.442 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124339841 1414943529 /nfs/dbraw/zinc/94/35/29/1414943529.db2.gz TUWOPWAITLFSCV-CTNGQTDRSA-N 2 2 397.567 3.230 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000124339841 1414943532 /nfs/dbraw/zinc/94/35/32/1414943532.db2.gz TUWOPWAITLFSCV-CTNGQTDRSA-N 2 2 397.567 3.230 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@H+](C)CCCn3cc[nH+]c3)cc(=O)oc2c1 ZINC000124384250 1414954129 /nfs/dbraw/zinc/95/41/29/1414954129.db2.gz UMMQYRVXMXQDIG-UHFFFAOYSA-N 2 2 384.436 3.080 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@@H+](C)CCCn3cc[nH+]c3)cc(=O)oc2c1 ZINC000124384250 1414954135 /nfs/dbraw/zinc/95/41/35/1414954135.db2.gz UMMQYRVXMXQDIG-UHFFFAOYSA-N 2 2 384.436 3.080 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000124414251 1414962527 /nfs/dbraw/zinc/96/25/27/1414962527.db2.gz BBLFZGUDESJINY-KRWDZBQOSA-N 2 2 397.504 3.237 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000124414251 1414962535 /nfs/dbraw/zinc/96/25/35/1414962535.db2.gz BBLFZGUDESJINY-KRWDZBQOSA-N 2 2 397.504 3.237 20 0 GGADLP COc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124528302 1414987744 /nfs/dbraw/zinc/98/77/44/1414987744.db2.gz SCZPRFZBBJWREK-RTWAWAEBSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124528302 1414987747 /nfs/dbraw/zinc/98/77/47/1414987747.db2.gz SCZPRFZBBJWREK-RTWAWAEBSA-N 2 2 387.568 3.033 20 0 GGADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000124559964 1414994307 /nfs/dbraw/zinc/99/43/07/1414994307.db2.gz HQQJKXKVLNOLLI-RTWAWAEBSA-N 2 2 387.568 3.413 20 0 GGADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000124559964 1414994312 /nfs/dbraw/zinc/99/43/12/1414994312.db2.gz HQQJKXKVLNOLLI-RTWAWAEBSA-N 2 2 387.568 3.413 20 0 GGADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000124559727 1414994338 /nfs/dbraw/zinc/99/43/38/1414994338.db2.gz HQQJKXKVLNOLLI-NHCUHLMSSA-N 2 2 387.568 3.413 20 0 GGADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000124559727 1414994340 /nfs/dbraw/zinc/99/43/40/1414994340.db2.gz HQQJKXKVLNOLLI-NHCUHLMSSA-N 2 2 387.568 3.413 20 0 GGADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000124559459 1414994348 /nfs/dbraw/zinc/99/43/48/1414994348.db2.gz HQQJKXKVLNOLLI-SFTDATJTSA-N 2 2 387.568 3.413 20 0 GGADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000124559459 1414994349 /nfs/dbraw/zinc/99/43/49/1414994349.db2.gz HQQJKXKVLNOLLI-SFTDATJTSA-N 2 2 387.568 3.413 20 0 GGADLP Cc1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124562664 1414994932 /nfs/dbraw/zinc/99/49/32/1414994932.db2.gz FGKBLLZFNPXROA-QZTJIDSGSA-N 2 2 378.586 3.169 20 0 GGADLP Cc1nc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124562664 1414994935 /nfs/dbraw/zinc/99/49/35/1414994935.db2.gz FGKBLLZFNPXROA-QZTJIDSGSA-N 2 2 378.586 3.169 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124563613 1414994961 /nfs/dbraw/zinc/99/49/61/1414994961.db2.gz AKOCWFIRAWVXQB-RTWAWAEBSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124563613 1414994964 /nfs/dbraw/zinc/99/49/64/1414994964.db2.gz AKOCWFIRAWVXQB-RTWAWAEBSA-N 2 2 391.531 3.244 20 0 GGADLP CN(C(=O)c1ccc(Cl)nc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124565756 1414995531 /nfs/dbraw/zinc/99/55/31/1414995531.db2.gz BURIORMHHSDSBT-ROUUACIJSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccc(Cl)nc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124565756 1414995535 /nfs/dbraw/zinc/99/55/35/1414995535.db2.gz BURIORMHHSDSBT-ROUUACIJSA-N 2 2 378.948 3.144 20 0 GGADLP Cc1cccc2nc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)cn21 ZINC000124568747 1414996134 /nfs/dbraw/zinc/99/61/34/1414996134.db2.gz HHNWSIUAXKULQY-SFTDATJTSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1cccc2nc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)cn21 ZINC000124568747 1414996138 /nfs/dbraw/zinc/99/61/38/1414996138.db2.gz HHNWSIUAXKULQY-SFTDATJTSA-N 2 2 397.567 3.052 20 0 GGADLP CN(C(=O)c1cc(Cl)ccn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124570322 1414996723 /nfs/dbraw/zinc/99/67/23/1414996723.db2.gz XAWOYCUYUAWITJ-MOPGFXCFSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1cc(Cl)ccn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124570322 1414996728 /nfs/dbraw/zinc/99/67/28/1414996728.db2.gz XAWOYCUYUAWITJ-MOPGFXCFSA-N 2 2 378.948 3.144 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000124586097 1414999599 /nfs/dbraw/zinc/99/95/99/1414999599.db2.gz YHFSEMIEJCTEAF-SFHVURJKSA-N 2 2 399.539 3.237 20 0 GGADLP Cc1nc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124585233 1414999856 /nfs/dbraw/zinc/99/98/56/1414999856.db2.gz UMRHYBSOWBMIBQ-RTBURBONSA-N 2 2 392.975 3.453 20 0 GGADLP Cc1nc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124585233 1414999858 /nfs/dbraw/zinc/99/98/58/1414999858.db2.gz UMRHYBSOWBMIBQ-RTBURBONSA-N 2 2 392.975 3.453 20 0 GGADLP CN(C(=O)c1ccc(Cl)cn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124590637 1415001068 /nfs/dbraw/zinc/00/10/68/1415001068.db2.gz OUCSUUXTGBDSCO-MOPGFXCFSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccc(Cl)cn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124590637 1415001072 /nfs/dbraw/zinc/00/10/72/1415001072.db2.gz OUCSUUXTGBDSCO-MOPGFXCFSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccc(Cl)cn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124590866 1415001177 /nfs/dbraw/zinc/00/11/77/1415001177.db2.gz OUCSUUXTGBDSCO-OALUTQOASA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccc(Cl)cn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124590866 1415001180 /nfs/dbraw/zinc/00/11/80/1415001180.db2.gz OUCSUUXTGBDSCO-OALUTQOASA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)CCc1ccsc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124604241 1415003997 /nfs/dbraw/zinc/00/39/97/1415003997.db2.gz RUMAWMOILAKUOA-PMACEKPBSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)CCc1ccsc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124604241 1415003999 /nfs/dbraw/zinc/00/39/99/1415003999.db2.gz RUMAWMOILAKUOA-PMACEKPBSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)C1=Cc2ccccc2OC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124610793 1415005581 /nfs/dbraw/zinc/00/55/81/1415005581.db2.gz IJAWUWXVCWYFJR-YADHBBJMSA-N 2 2 397.563 3.258 20 0 GGADLP CN(C(=O)C1=Cc2ccccc2OC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124610793 1415005589 /nfs/dbraw/zinc/00/55/89/1415005589.db2.gz IJAWUWXVCWYFJR-YADHBBJMSA-N 2 2 397.563 3.258 20 0 GGADLP CN(C(=O)Cc1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124622880 1415007492 /nfs/dbraw/zinc/00/74/92/1415007492.db2.gz UGPCAVPOVAKJAY-RTWAWAEBSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1c(F)cccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124622880 1415007495 /nfs/dbraw/zinc/00/74/95/1415007495.db2.gz UGPCAVPOVAKJAY-RTWAWAEBSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)on1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124626761 1415008639 /nfs/dbraw/zinc/00/86/39/1415008639.db2.gz LNHPVWBUVAWYFL-OALUTQOASA-N 2 2 390.572 3.381 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)on1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124626761 1415008642 /nfs/dbraw/zinc/00/86/42/1415008642.db2.gz LNHPVWBUVAWYFL-OALUTQOASA-N 2 2 390.572 3.381 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)on1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124626544 1415008656 /nfs/dbraw/zinc/00/86/56/1415008656.db2.gz LNHPVWBUVAWYFL-RBUKOAKNSA-N 2 2 390.572 3.381 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)on1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124626544 1415008659 /nfs/dbraw/zinc/00/86/59/1415008659.db2.gz LNHPVWBUVAWYFL-RBUKOAKNSA-N 2 2 390.572 3.381 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)on1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124627220 1415008893 /nfs/dbraw/zinc/00/88/93/1415008893.db2.gz LNHPVWBUVAWYFL-MOPGFXCFSA-N 2 2 390.572 3.381 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)on1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124627220 1415008900 /nfs/dbraw/zinc/00/89/00/1415008900.db2.gz LNHPVWBUVAWYFL-MOPGFXCFSA-N 2 2 390.572 3.381 20 0 GGADLP CCc1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124642675 1415011895 /nfs/dbraw/zinc/01/18/95/1415011895.db2.gz GGNHOUHZULFFEC-IRXDYDNUSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124642675 1415011903 /nfs/dbraw/zinc/01/19/03/1415011903.db2.gz GGNHOUHZULFFEC-IRXDYDNUSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124642886 1415012089 /nfs/dbraw/zinc/01/20/89/1415012089.db2.gz GGNHOUHZULFFEC-IAGOWNOFSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124642886 1415012093 /nfs/dbraw/zinc/01/20/93/1415012093.db2.gz GGNHOUHZULFFEC-IAGOWNOFSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124643078 1415012213 /nfs/dbraw/zinc/01/22/13/1415012213.db2.gz GGNHOUHZULFFEC-SJORKVTESA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124643078 1415012216 /nfs/dbraw/zinc/01/22/16/1415012216.db2.gz GGNHOUHZULFFEC-SJORKVTESA-N 2 2 378.586 3.115 20 0 GGADLP CN(C(=O)c1cc(Cl)cn1C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124658345 1415015480 /nfs/dbraw/zinc/01/54/80/1415015480.db2.gz BEMFJPQJQMKMDT-ROUUACIJSA-N 2 2 380.964 3.088 20 0 GGADLP CN(C(=O)c1cc(Cl)cn1C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124658345 1415015484 /nfs/dbraw/zinc/01/54/84/1415015484.db2.gz BEMFJPQJQMKMDT-ROUUACIJSA-N 2 2 380.964 3.088 20 0 GGADLP CN(C(=O)c1cc(Cl)cn1C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124658562 1415015502 /nfs/dbraw/zinc/01/55/02/1415015502.db2.gz BEMFJPQJQMKMDT-QZTJIDSGSA-N 2 2 380.964 3.088 20 0 GGADLP CN(C(=O)c1cc(Cl)cn1C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124658562 1415015504 /nfs/dbraw/zinc/01/55/04/1415015504.db2.gz BEMFJPQJQMKMDT-QZTJIDSGSA-N 2 2 380.964 3.088 20 0 GGADLP CN(C(=O)c1ccc(F)c(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124670655 1415017624 /nfs/dbraw/zinc/01/76/24/1415017624.db2.gz FZFCFTMMMGZZJW-UXHICEINSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1ccc(F)c(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124670655 1415017628 /nfs/dbraw/zinc/01/76/28/1415017628.db2.gz FZFCFTMMMGZZJW-UXHICEINSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177777187 1428856112 /nfs/dbraw/zinc/85/61/12/1428856112.db2.gz SFPFMPWVFLUHFY-HXUWFJFHSA-N 2 2 377.492 3.140 20 0 GGADLP CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177777187 1428856116 /nfs/dbraw/zinc/85/61/16/1428856116.db2.gz SFPFMPWVFLUHFY-HXUWFJFHSA-N 2 2 377.492 3.140 20 0 GGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000124686312 1415021525 /nfs/dbraw/zinc/02/15/25/1415021525.db2.gz RNAAEPYTPYZXAW-PPHZAIPVSA-N 2 2 385.577 3.287 20 0 GGADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124689116 1415022216 /nfs/dbraw/zinc/02/22/16/1415022216.db2.gz AFSIZQKIMIZHAJ-PMACEKPBSA-N 2 2 389.588 3.047 20 0 GGADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124689116 1415022220 /nfs/dbraw/zinc/02/22/20/1415022220.db2.gz AFSIZQKIMIZHAJ-PMACEKPBSA-N 2 2 389.588 3.047 20 0 GGADLP Cc1nc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124704906 1415025726 /nfs/dbraw/zinc/02/57/26/1415025726.db2.gz LGRKNPQKDIJXII-PMACEKPBSA-N 2 2 392.613 3.098 20 0 GGADLP Cc1nc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124704906 1415025732 /nfs/dbraw/zinc/02/57/32/1415025732.db2.gz LGRKNPQKDIJXII-PMACEKPBSA-N 2 2 392.613 3.098 20 0 GGADLP CCc1ncsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124705834 1415026499 /nfs/dbraw/zinc/02/64/99/1415026499.db2.gz CGJMMHREAZYENH-ROUUACIJSA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124705834 1415026505 /nfs/dbraw/zinc/02/65/05/1415026505.db2.gz CGJMMHREAZYENH-ROUUACIJSA-N 2 2 378.586 3.115 20 0 GGADLP COc1ccsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124720805 1415029205 /nfs/dbraw/zinc/02/92/05/1415029205.db2.gz OUEMJMNFMALEPI-SJORKVTESA-N 2 2 379.570 3.166 20 0 GGADLP COc1ccsc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124720805 1415029207 /nfs/dbraw/zinc/02/92/07/1415029207.db2.gz OUEMJMNFMALEPI-SJORKVTESA-N 2 2 379.570 3.166 20 0 GGADLP CN(C(=O)c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124743204 1415033766 /nfs/dbraw/zinc/03/37/66/1415033766.db2.gz KENZRCDDBLUOSN-MOPGFXCFSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cccc(F)c1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124743204 1415033774 /nfs/dbraw/zinc/03/37/74/1415033774.db2.gz KENZRCDDBLUOSN-MOPGFXCFSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cccc(F)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124743484 1415034184 /nfs/dbraw/zinc/03/41/84/1415034184.db2.gz KENZRCDDBLUOSN-OALUTQOASA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cccc(F)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124743484 1415034191 /nfs/dbraw/zinc/03/41/91/1415034191.db2.gz KENZRCDDBLUOSN-OALUTQOASA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)Cc1ccccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124744575 1415034871 /nfs/dbraw/zinc/03/48/71/1415034871.db2.gz GTULIIPUDLPHDH-SFTDATJTSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1ccccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124744575 1415034877 /nfs/dbraw/zinc/03/48/77/1415034877.db2.gz GTULIIPUDLPHDH-SFTDATJTSA-N 2 2 375.532 3.164 20 0 GGADLP COc1csc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124762896 1415038569 /nfs/dbraw/zinc/03/85/69/1415038569.db2.gz OTAVLZMGWKWPFW-MSOLQXFVSA-N 2 2 379.570 3.166 20 0 GGADLP COc1csc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124762896 1415038572 /nfs/dbraw/zinc/03/85/72/1415038572.db2.gz OTAVLZMGWKWPFW-MSOLQXFVSA-N 2 2 379.570 3.166 20 0 GGADLP CN(C(=O)/C=C/c1cncc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124766752 1415039926 /nfs/dbraw/zinc/03/99/26/1415039926.db2.gz UUJUUWAMGOMSOI-DRJJXNLZSA-N 2 2 388.531 3.030 20 0 GGADLP CN(C(=O)/C=C/c1cncc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124766752 1415039928 /nfs/dbraw/zinc/03/99/28/1415039928.db2.gz UUJUUWAMGOMSOI-DRJJXNLZSA-N 2 2 388.531 3.030 20 0 GGADLP CN(C(=O)c1csc(C2CC2)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124772151 1415040763 /nfs/dbraw/zinc/04/07/63/1415040763.db2.gz DQEKFDRORRFPPA-MOPGFXCFSA-N 2 2 390.597 3.430 20 0 GGADLP CN(C(=O)c1csc(C2CC2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124772151 1415040767 /nfs/dbraw/zinc/04/07/67/1415040767.db2.gz DQEKFDRORRFPPA-MOPGFXCFSA-N 2 2 390.597 3.430 20 0 GGADLP COc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124817921 1415051631 /nfs/dbraw/zinc/05/16/31/1415051631.db2.gz IVTLUAGMFJEZCC-VXKWHMMOSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124817921 1415051638 /nfs/dbraw/zinc/05/16/38/1415051638.db2.gz IVTLUAGMFJEZCC-VXKWHMMOSA-N 2 2 387.568 3.033 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124820986 1415052056 /nfs/dbraw/zinc/05/20/56/1415052056.db2.gz MFPDCABKPAZQDB-RTBURBONSA-N 2 2 389.588 3.116 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124820986 1415052060 /nfs/dbraw/zinc/05/20/60/1415052060.db2.gz MFPDCABKPAZQDB-RTBURBONSA-N 2 2 389.588 3.116 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124820764 1415052150 /nfs/dbraw/zinc/05/21/50/1415052150.db2.gz MFPDCABKPAZQDB-OALUTQOASA-N 2 2 389.588 3.116 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124820764 1415052155 /nfs/dbraw/zinc/05/21/55/1415052155.db2.gz MFPDCABKPAZQDB-OALUTQOASA-N 2 2 389.588 3.116 20 0 GGADLP CN(C(=O)COC1CCCCC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124823463 1415052888 /nfs/dbraw/zinc/05/28/88/1415052888.db2.gz DLARWLCDQUQVDJ-SFTDATJTSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)COC1CCCCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124823463 1415052894 /nfs/dbraw/zinc/05/28/94/1415052894.db2.gz DLARWLCDQUQVDJ-SFTDATJTSA-N 2 2 379.589 3.131 20 0 GGADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124831872 1415054593 /nfs/dbraw/zinc/05/45/93/1415054593.db2.gz BAJMUHJTNZRNEO-YSSFQJQWSA-N 2 2 390.572 3.191 20 0 GGADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124831872 1415054599 /nfs/dbraw/zinc/05/45/99/1415054599.db2.gz BAJMUHJTNZRNEO-YSSFQJQWSA-N 2 2 390.572 3.191 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124885675 1415066699 /nfs/dbraw/zinc/06/66/99/1415066699.db2.gz ILXVYSVRFPWUCA-PMACEKPBSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124885675 1415066704 /nfs/dbraw/zinc/06/67/04/1415066704.db2.gz ILXVYSVRFPWUCA-PMACEKPBSA-N 2 2 393.522 3.303 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000124898730 1415069219 /nfs/dbraw/zinc/06/92/19/1415069219.db2.gz CUPJAEYYPLFWSB-GOSISDBHSA-N 2 2 394.523 3.319 20 0 GGADLP CC[NH+]1CCN(c2ccc(NC(=O)NCc3ccn4cc[nH+]c4c3)c(C)c2)CC1 ZINC000177784153 1428857478 /nfs/dbraw/zinc/85/74/78/1428857478.db2.gz WFSNVGNOQVPYFC-UHFFFAOYSA-N 2 2 392.507 3.106 20 0 GGADLP COc1ccc(OC)c([C@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000125005413 1415090927 /nfs/dbraw/zinc/09/09/27/1415090927.db2.gz KAJZCGPHXTYZRJ-JOCHJYFZSA-N 2 2 399.535 3.062 20 0 GGADLP CC[C@@H](C)n1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C1CC1 ZINC000125033160 1415095366 /nfs/dbraw/zinc/09/53/66/1415095366.db2.gz GORGQAOOZZYUSE-MRXNPFEDSA-N 2 2 387.572 3.020 20 0 GGADLP CCc1ccc([C@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)o1 ZINC000125062740 1415102386 /nfs/dbraw/zinc/10/23/86/1415102386.db2.gz ASKNCTMNCSVGGM-KRWDZBQOSA-N 2 2 385.508 3.354 20 0 GGADLP C/C(=C\c1ccccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000125186333 1415126457 /nfs/dbraw/zinc/12/64/57/1415126457.db2.gz TVKVZTBIICCUJO-FOCLMDBBSA-N 2 2 375.944 3.418 20 0 GGADLP Cn1c2ccc(NCc3cnc(N4CC[NH+](C)CC4)nc3)cc2[nH+]c1C(C)(C)C ZINC000125244534 1415139063 /nfs/dbraw/zinc/13/90/63/1415139063.db2.gz XSMNLXOLTNJJBC-UHFFFAOYSA-N 2 2 393.539 3.025 20 0 GGADLP C[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000125289946 1415153681 /nfs/dbraw/zinc/15/36/81/1415153681.db2.gz JYOCYBODEPJJRB-QRVBRYPASA-N 2 2 388.556 3.149 20 0 GGADLP C[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000125289946 1415153688 /nfs/dbraw/zinc/15/36/88/1415153688.db2.gz JYOCYBODEPJJRB-QRVBRYPASA-N 2 2 388.556 3.149 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125402061 1415188597 /nfs/dbraw/zinc/18/85/97/1415188597.db2.gz ZYXRQFQVRFOBBB-XLIONFOSSA-N 2 2 397.498 3.170 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000125402061 1415188599 /nfs/dbraw/zinc/18/85/99/1415188599.db2.gz ZYXRQFQVRFOBBB-XLIONFOSSA-N 2 2 397.498 3.170 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)CC(C)C ZINC000125567647 1415228739 /nfs/dbraw/zinc/22/87/39/1415228739.db2.gz GNEIRMPPMFEPSA-IBGZPJMESA-N 2 2 390.572 3.472 20 0 GGADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000125671451 1415250843 /nfs/dbraw/zinc/25/08/43/1415250843.db2.gz DWTWRAOBNHSKMH-HXUWFJFHSA-N 2 2 394.510 3.274 20 0 GGADLP Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000125670337 1415250965 /nfs/dbraw/zinc/25/09/65/1415250965.db2.gz FXKLMANBXCGQDD-VQTJNVASSA-N 2 2 398.595 3.441 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000125672824 1415251434 /nfs/dbraw/zinc/25/14/34/1415251434.db2.gz FTHAOPYGOMINME-NZQKXSOJSA-N 2 2 398.595 3.256 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(Br)ccc3F)ccn2)CC1 ZINC000126054254 1415346370 /nfs/dbraw/zinc/34/63/70/1415346370.db2.gz MPCUGPXAXIOSGO-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP Cn1cc(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(-c2cc3ccccc3o2)n1 ZINC000126324164 1415418085 /nfs/dbraw/zinc/41/80/85/1415418085.db2.gz ZEZPJLMYRFKWRO-UHFFFAOYSA-N 2 2 382.508 3.112 20 0 GGADLP Cn1cc(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(-c2cc3ccccc3o2)n1 ZINC000126324164 1415418088 /nfs/dbraw/zinc/41/80/88/1415418088.db2.gz ZEZPJLMYRFKWRO-UHFFFAOYSA-N 2 2 382.508 3.112 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)cn1 ZINC000126325964 1415418420 /nfs/dbraw/zinc/41/84/20/1415418420.db2.gz QGHPGDWKWDWNHU-OAHLLOKOSA-N 2 2 377.448 3.383 20 0 GGADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000126378240 1415430799 /nfs/dbraw/zinc/43/07/99/1415430799.db2.gz HYZUDEIBSFTEPY-JOCHJYFZSA-N 2 2 379.504 3.252 20 0 GGADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000126378240 1415430802 /nfs/dbraw/zinc/43/08/02/1415430802.db2.gz HYZUDEIBSFTEPY-JOCHJYFZSA-N 2 2 379.504 3.252 20 0 GGADLP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@H+](Cc4ccccc4)CCO3)c2C1 ZINC000126378240 1415430804 /nfs/dbraw/zinc/43/08/04/1415430804.db2.gz HYZUDEIBSFTEPY-JOCHJYFZSA-N 2 2 379.504 3.252 20 0 GGADLP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C1 ZINC000126378240 1415430807 /nfs/dbraw/zinc/43/08/07/1415430807.db2.gz HYZUDEIBSFTEPY-JOCHJYFZSA-N 2 2 379.504 3.252 20 0 GGADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000126416523 1415445311 /nfs/dbraw/zinc/44/53/11/1415445311.db2.gz SQZPDUBAYRABGJ-KDURUIRLSA-N 2 2 398.551 3.290 20 0 GGADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000126416523 1415445316 /nfs/dbraw/zinc/44/53/16/1415445316.db2.gz SQZPDUBAYRABGJ-KDURUIRLSA-N 2 2 398.551 3.290 20 0 GGADLP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)CCCO2 ZINC000126692522 1415527894 /nfs/dbraw/zinc/52/78/94/1415527894.db2.gz LMYSXKKUEJJISW-JOCHJYFZSA-N 2 2 389.584 3.003 20 0 GGADLP Fc1cc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)ccc1Cl ZINC000126746441 1415545832 /nfs/dbraw/zinc/54/58/32/1415545832.db2.gz ZVHXUGVUOKUSIM-UHFFFAOYSA-N 2 2 378.875 3.480 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCN(C(=O)C4CCCC4)C3)CC2)cc1 ZINC000126959100 1415618416 /nfs/dbraw/zinc/61/84/16/1415618416.db2.gz YHAXFVYYDRDBQN-FQEVSTJZSA-N 2 2 384.568 3.102 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(C)(C)C3CCCCC3)CC2)CC1 ZINC000127355576 1415750157 /nfs/dbraw/zinc/75/01/57/1415750157.db2.gz XAZJSFCSQZYFCF-UHFFFAOYSA-N 2 2 378.605 3.451 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3C(F)(F)F)CC2)CC1 ZINC000127473295 1415792717 /nfs/dbraw/zinc/79/27/17/1415792717.db2.gz FNDPVEFNWFCVRU-UHFFFAOYSA-N 2 2 384.446 3.386 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000127537035 1415806495 /nfs/dbraw/zinc/80/64/95/1415806495.db2.gz VIRXOOXCKULQBD-HXUWFJFHSA-N 2 2 389.503 3.182 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000127537035 1415806497 /nfs/dbraw/zinc/80/64/97/1415806497.db2.gz VIRXOOXCKULQBD-HXUWFJFHSA-N 2 2 389.503 3.182 20 0 GGADLP Fc1cccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000127791114 1415851162 /nfs/dbraw/zinc/85/11/62/1415851162.db2.gz ZYTCKJLGBYXIGS-QFIPXVFZSA-N 2 2 380.467 3.175 20 0 GGADLP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000127810927 1415855370 /nfs/dbraw/zinc/85/53/70/1415855370.db2.gz NTWZONXJLWXMOZ-RXVVDRJESA-N 2 2 381.524 3.140 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127827276 1415858071 /nfs/dbraw/zinc/85/80/71/1415858071.db2.gz MCRDXLUTFVQVPA-DYESRHJHSA-N 2 2 396.539 3.058 20 0 GGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000128099827 1415912880 /nfs/dbraw/zinc/91/28/80/1415912880.db2.gz KSBOLYXIWHOACF-OAQYLSRUSA-N 2 2 393.535 3.146 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1OC(F)F ZINC000128146691 1415924564 /nfs/dbraw/zinc/92/45/64/1415924564.db2.gz ZYKUVKHCCBOIPX-OLZOCXBDSA-N 2 2 389.874 3.179 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1OC(F)F ZINC000128146691 1415924570 /nfs/dbraw/zinc/92/45/70/1415924570.db2.gz ZYKUVKHCCBOIPX-OLZOCXBDSA-N 2 2 389.874 3.179 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[NH+]2CCCC2)cc1 ZINC000128150896 1415926484 /nfs/dbraw/zinc/92/64/84/1415926484.db2.gz WAXJQIMQKMDGMD-LEWJYISDSA-N 2 2 393.535 3.105 20 0 GGADLP COc1ccc(Br)c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000128194582 1415935989 /nfs/dbraw/zinc/93/59/89/1415935989.db2.gz ZPGZLOLNMVFNDP-AWEZNQCLSA-N 2 2 383.330 3.048 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000128359046 1415970548 /nfs/dbraw/zinc/97/05/48/1415970548.db2.gz DXARPXTWLCQQLR-QUCCMNQESA-N 2 2 381.524 3.093 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000128359046 1415970549 /nfs/dbraw/zinc/97/05/49/1415970549.db2.gz DXARPXTWLCQQLR-QUCCMNQESA-N 2 2 381.524 3.093 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Br)ccc3F)cn2)CC1 ZINC000128400857 1415979373 /nfs/dbraw/zinc/97/93/73/1415979373.db2.gz UCVPPJGRRHHQJP-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@H](C)O1 ZINC000178257080 1429034981 /nfs/dbraw/zinc/03/49/81/1429034981.db2.gz ZYCAZUYKMDGWGW-KDURUIRLSA-N 2 2 396.535 3.224 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@H](C)O1 ZINC000178257080 1429034985 /nfs/dbraw/zinc/03/49/85/1429034985.db2.gz ZYCAZUYKMDGWGW-KDURUIRLSA-N 2 2 396.535 3.224 20 0 GGADLP O=C(NCCC[NH+]1CCCCC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178274297 1429039910 /nfs/dbraw/zinc/03/99/10/1429039910.db2.gz ODRSCRYEQDPBBE-RTWAWAEBSA-N 2 2 381.524 3.287 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000128741764 1416057048 /nfs/dbraw/zinc/05/70/48/1416057048.db2.gz NJDPOISTPCQFBU-GOSISDBHSA-N 2 2 378.586 3.230 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000128741764 1416057058 /nfs/dbraw/zinc/05/70/58/1416057058.db2.gz NJDPOISTPCQFBU-GOSISDBHSA-N 2 2 378.586 3.230 20 0 GGADLP CC(C)Oc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000128766210 1416063097 /nfs/dbraw/zinc/06/30/97/1416063097.db2.gz NXXDGZMWZFIOMO-IBGZPJMESA-N 2 2 396.535 3.258 20 0 GGADLP C[C@@H]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000128767461 1416063150 /nfs/dbraw/zinc/06/31/50/1416063150.db2.gz IZRPUASUYNYTDP-NQIIRXRSSA-N 2 2 378.520 3.349 20 0 GGADLP Cc1cc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(C)c1F ZINC000128821090 1416077526 /nfs/dbraw/zinc/07/75/26/1416077526.db2.gz JYJYLIYCHGVZGR-GOSISDBHSA-N 2 2 384.499 3.227 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccco1 ZINC000129076123 1416139079 /nfs/dbraw/zinc/13/90/79/1416139079.db2.gz VHOCBQWDBFKHPS-HXUWFJFHSA-N 2 2 395.507 3.407 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129376206 1416199043 /nfs/dbraw/zinc/19/90/43/1416199043.db2.gz VUUYFKUCDFKQMH-NQIIRXRSSA-N 2 2 384.524 3.007 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129376206 1416199050 /nfs/dbraw/zinc/19/90/50/1416199050.db2.gz VUUYFKUCDFKQMH-NQIIRXRSSA-N 2 2 384.524 3.007 20 0 GGADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129375750 1416199211 /nfs/dbraw/zinc/19/92/11/1416199211.db2.gz ZNVGMYQUYPAXKO-VCBZYWHSSA-N 2 2 376.451 3.264 20 0 GGADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129375750 1416199218 /nfs/dbraw/zinc/19/92/18/1416199218.db2.gz ZNVGMYQUYPAXKO-VCBZYWHSSA-N 2 2 376.451 3.264 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129443871 1416210552 /nfs/dbraw/zinc/21/05/52/1416210552.db2.gz JRYBBEFSGHGAQX-YOEHRIQHSA-N 2 2 395.334 3.432 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129443871 1416210554 /nfs/dbraw/zinc/21/05/54/1416210554.db2.gz JRYBBEFSGHGAQX-YOEHRIQHSA-N 2 2 395.334 3.432 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129722590 1416253791 /nfs/dbraw/zinc/25/37/91/1416253791.db2.gz MIETWTNQLDUGIK-XWIAVFTESA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000129722590 1416253793 /nfs/dbraw/zinc/25/37/93/1416253793.db2.gz MIETWTNQLDUGIK-XWIAVFTESA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129810650 1416267434 /nfs/dbraw/zinc/26/74/34/1416267434.db2.gz QIDVUWSPXFDNPY-WFXMLNOXSA-N 2 2 381.524 3.393 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129810650 1416267437 /nfs/dbraw/zinc/26/74/37/1416267437.db2.gz QIDVUWSPXFDNPY-WFXMLNOXSA-N 2 2 381.524 3.393 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129829779 1416270396 /nfs/dbraw/zinc/27/03/96/1416270396.db2.gz UQRSASRJOFAKGW-NQIIRXRSSA-N 2 2 384.524 3.007 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129829779 1416270398 /nfs/dbraw/zinc/27/03/98/1416270398.db2.gz UQRSASRJOFAKGW-NQIIRXRSSA-N 2 2 384.524 3.007 20 0 GGADLP C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000129916033 1416284208 /nfs/dbraw/zinc/28/42/08/1416284208.db2.gz IZTMEDOZVYBAAO-VGOFRKELSA-N 2 2 398.526 3.058 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCN(C(=O)c4ccco4)CC3)CC2)cc1 ZINC000130283472 1416351448 /nfs/dbraw/zinc/35/14/48/1416351448.db2.gz JEIUTNYZLXGRMC-UHFFFAOYSA-N 2 2 396.535 3.209 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130431102 1416377101 /nfs/dbraw/zinc/37/71/01/1416377101.db2.gz VTZCKKHQVTYFPD-XXBNENTESA-N 2 2 375.520 3.310 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130431102 1416377106 /nfs/dbraw/zinc/37/71/06/1416377106.db2.gz VTZCKKHQVTYFPD-XXBNENTESA-N 2 2 375.520 3.310 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000130506040 1416390366 /nfs/dbraw/zinc/39/03/66/1416390366.db2.gz BZLOSTXQFHORBW-UHFFFAOYSA-N 2 2 392.507 3.215 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000130506040 1416390373 /nfs/dbraw/zinc/39/03/73/1416390373.db2.gz BZLOSTXQFHORBW-UHFFFAOYSA-N 2 2 392.507 3.215 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1OC(F)F ZINC000130532016 1416394583 /nfs/dbraw/zinc/39/45/83/1416394583.db2.gz ZNCOLLVLJZOCFB-AWEZNQCLSA-N 2 2 394.441 3.425 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000178506121 1429092889 /nfs/dbraw/zinc/09/28/89/1429092889.db2.gz IXMBCZBKQCVJHJ-XXBNENTESA-N 2 2 375.520 3.327 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000178506121 1429092894 /nfs/dbraw/zinc/09/28/94/1429092894.db2.gz IXMBCZBKQCVJHJ-XXBNENTESA-N 2 2 375.520 3.327 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000130877430 1416473163 /nfs/dbraw/zinc/47/31/63/1416473163.db2.gz WLFUSBMFFDVNGC-UHFFFAOYSA-N 2 2 392.975 3.039 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000130877430 1416473176 /nfs/dbraw/zinc/47/31/76/1416473176.db2.gz WLFUSBMFFDVNGC-UHFFFAOYSA-N 2 2 392.975 3.039 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000131081601 1416505706 /nfs/dbraw/zinc/50/57/06/1416505706.db2.gz MOSMMQNLEIKVCE-KRWDZBQOSA-N 2 2 376.508 3.192 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccco1 ZINC000131203265 1416523063 /nfs/dbraw/zinc/52/30/63/1416523063.db2.gz OKHDJQVHOFUNJW-QKNQBKEWSA-N 2 2 393.491 3.307 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131213504 1416524366 /nfs/dbraw/zinc/52/43/66/1416524366.db2.gz DHFLOEXBWGJUBP-LJQANCHMSA-N 2 2 395.551 3.222 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131213504 1416524371 /nfs/dbraw/zinc/52/43/71/1416524371.db2.gz DHFLOEXBWGJUBP-LJQANCHMSA-N 2 2 395.551 3.222 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131213755 1416524410 /nfs/dbraw/zinc/52/44/10/1416524410.db2.gz DHFLOEXBWGJUBP-IBGZPJMESA-N 2 2 395.551 3.222 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131213755 1416524413 /nfs/dbraw/zinc/52/44/13/1416524413.db2.gz DHFLOEXBWGJUBP-IBGZPJMESA-N 2 2 395.551 3.222 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CC4(CCCC4)Oc4ccccc43)cn2)CC1 ZINC000131283717 1416535138 /nfs/dbraw/zinc/53/51/38/1416535138.db2.gz KGFIPBKXEQQMEL-FQEVSTJZSA-N 2 2 393.535 3.155 20 0 GGADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n2)ccc1C ZINC000131298853 1416536727 /nfs/dbraw/zinc/53/67/27/1416536727.db2.gz HKABKURHZXRLSF-INIZCTEOSA-N 2 2 381.480 3.242 20 0 GGADLP COc1cc(-c2noc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n2)ccc1C ZINC000131298853 1416536733 /nfs/dbraw/zinc/53/67/33/1416536733.db2.gz HKABKURHZXRLSF-INIZCTEOSA-N 2 2 381.480 3.242 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000131349868 1416543482 /nfs/dbraw/zinc/54/34/82/1416543482.db2.gz FGILWPZAGJXCGL-HXUWFJFHSA-N 2 2 398.551 3.170 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000131349868 1416543485 /nfs/dbraw/zinc/54/34/85/1416543485.db2.gz FGILWPZAGJXCGL-HXUWFJFHSA-N 2 2 398.551 3.170 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000131357004 1416544670 /nfs/dbraw/zinc/54/46/70/1416544670.db2.gz HRFOSNSMTICDND-FQEVSTJZSA-N 2 2 394.563 3.303 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000131357004 1416544673 /nfs/dbraw/zinc/54/46/73/1416544673.db2.gz HRFOSNSMTICDND-FQEVSTJZSA-N 2 2 394.563 3.303 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000131357228 1416544766 /nfs/dbraw/zinc/54/47/66/1416544766.db2.gz HRFOSNSMTICDND-HXUWFJFHSA-N 2 2 394.563 3.303 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C1 ZINC000131357228 1416544769 /nfs/dbraw/zinc/54/47/69/1416544769.db2.gz HRFOSNSMTICDND-HXUWFJFHSA-N 2 2 394.563 3.303 20 0 GGADLP Cc1cc(=O)oc2cc(OCC[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)ccc12 ZINC000131362257 1416545665 /nfs/dbraw/zinc/54/56/65/1416545665.db2.gz KFWKGBIYNJQHHR-KRWDZBQOSA-N 2 2 381.476 3.168 20 0 GGADLP Cc1cc(=O)oc2cc(OCC[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)ccc12 ZINC000131362257 1416545668 /nfs/dbraw/zinc/54/56/68/1416545668.db2.gz KFWKGBIYNJQHHR-KRWDZBQOSA-N 2 2 381.476 3.168 20 0 GGADLP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1OC ZINC000178556875 1429106254 /nfs/dbraw/zinc/10/62/54/1429106254.db2.gz FEZQFVMHICNBGW-XLIONFOSSA-N 2 2 399.535 3.150 20 0 GGADLP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1OC ZINC000178556875 1429106260 /nfs/dbraw/zinc/10/62/60/1429106260.db2.gz FEZQFVMHICNBGW-XLIONFOSSA-N 2 2 399.535 3.150 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000131374819 1416547283 /nfs/dbraw/zinc/54/72/83/1416547283.db2.gz LNKXJRHGWMDZPQ-RCZSKKKRSA-N 2 2 383.536 3.130 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000131374819 1416547292 /nfs/dbraw/zinc/54/72/92/1416547292.db2.gz LNKXJRHGWMDZPQ-RCZSKKKRSA-N 2 2 383.536 3.130 20 0 GGADLP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000131390366 1416549691 /nfs/dbraw/zinc/54/96/91/1416549691.db2.gz VZYHKCUXKQSQFH-VGOFRKELSA-N 2 2 386.515 3.327 20 0 GGADLP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000131390366 1416549695 /nfs/dbraw/zinc/54/96/95/1416549695.db2.gz VZYHKCUXKQSQFH-VGOFRKELSA-N 2 2 386.515 3.327 20 0 GGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000131391905 1416550113 /nfs/dbraw/zinc/55/01/13/1416550113.db2.gz GPJLDCCODGVOBN-QFIPXVFZSA-N 2 2 382.483 3.081 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000131404407 1416552101 /nfs/dbraw/zinc/55/21/01/1416552101.db2.gz LEPQIXFLBUGFKY-PBHICJAKSA-N 2 2 378.314 3.171 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000131404407 1416552106 /nfs/dbraw/zinc/55/21/06/1416552106.db2.gz LEPQIXFLBUGFKY-PBHICJAKSA-N 2 2 378.314 3.171 20 0 GGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000131519298 1416570449 /nfs/dbraw/zinc/57/04/49/1416570449.db2.gz HIZWCRAQLHBVMJ-QHCPKHFHSA-N 2 2 378.520 3.001 20 0 GGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)N1CCOCC1 ZINC000131813402 1416626659 /nfs/dbraw/zinc/62/66/59/1416626659.db2.gz QVZPUSAELNXABZ-PMOQBDJRSA-N 2 2 388.600 3.019 20 0 GGADLP CCC(CC)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)N1CCOCC1 ZINC000131813402 1416626668 /nfs/dbraw/zinc/62/66/68/1416626668.db2.gz QVZPUSAELNXABZ-PMOQBDJRSA-N 2 2 388.600 3.019 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000131892244 1416642459 /nfs/dbraw/zinc/64/24/59/1416642459.db2.gz SPVUEHMASAEQOM-UHFFFAOYSA-N 2 2 389.931 3.233 20 0 GGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000132486177 1416771385 /nfs/dbraw/zinc/77/13/85/1416771385.db2.gz PRWUUDHQIOZTAU-HKUYNNGSSA-N 2 2 381.524 3.089 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(C(=O)c2ccccc2)CC1)c1ccccc1 ZINC000132616997 1416794319 /nfs/dbraw/zinc/79/43/19/1416794319.db2.gz HJQXKURJJKVOKC-QFIPXVFZSA-N 2 2 393.531 3.000 20 0 GGADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000132757145 1416811838 /nfs/dbraw/zinc/81/18/38/1416811838.db2.gz LKIYUYMFZCLLBZ-UHFFFAOYSA-N 2 2 384.524 3.046 20 0 GGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000132822043 1416819285 /nfs/dbraw/zinc/81/92/85/1416819285.db2.gz FQOODPQCODTREZ-JRGCBEDISA-N 2 2 381.524 3.285 20 0 GGADLP Cc1nc(C)c([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000178663896 1429132449 /nfs/dbraw/zinc/13/24/49/1429132449.db2.gz PEYUCDCKCDEDNF-HNNXBMFYSA-N 2 2 375.538 3.322 20 0 GGADLP CN(C)[C@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)Cc1ccccc1 ZINC000132940485 1416833823 /nfs/dbraw/zinc/83/38/23/1416833823.db2.gz FNSAKUSKNCBAIL-DEOSSOPVSA-N 2 2 380.580 3.484 20 0 GGADLP Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000133087574 1416850361 /nfs/dbraw/zinc/85/03/61/1416850361.db2.gz ZTOBWDFZDAKLPZ-UHFFFAOYSA-N 2 2 376.932 3.228 20 0 GGADLP Cc1[nH]c2ccc(Cl)cc2c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000133087574 1416850367 /nfs/dbraw/zinc/85/03/67/1416850367.db2.gz ZTOBWDFZDAKLPZ-UHFFFAOYSA-N 2 2 376.932 3.228 20 0 GGADLP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000133463480 1416892245 /nfs/dbraw/zinc/89/22/45/1416892245.db2.gz CAIKTLHWWFMJDU-NRFANRHFSA-N 2 2 380.536 3.124 20 0 GGADLP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000133463480 1416892247 /nfs/dbraw/zinc/89/22/47/1416892247.db2.gz CAIKTLHWWFMJDU-NRFANRHFSA-N 2 2 380.536 3.124 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(OCC[NH+](C)C)c1 ZINC000133576754 1416908978 /nfs/dbraw/zinc/90/89/78/1416908978.db2.gz VGHZTRCHFCMOAV-GOSISDBHSA-N 2 2 381.520 3.321 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c(OCC[NH+](C)C)c1 ZINC000133576754 1416908979 /nfs/dbraw/zinc/90/89/79/1416908979.db2.gz VGHZTRCHFCMOAV-GOSISDBHSA-N 2 2 381.520 3.321 20 0 GGADLP CCOc1cccc2cc([C@H](C)[NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)oc21 ZINC000133650158 1416931263 /nfs/dbraw/zinc/93/12/63/1416931263.db2.gz QJBAAMMMMDAHLM-INIZCTEOSA-N 2 2 395.507 3.224 20 0 GGADLP Cc1cc(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)nc(C(C)C)[nH+]1 ZINC000133668737 1416936082 /nfs/dbraw/zinc/93/60/82/1416936082.db2.gz XZVTWHNCBVFDRU-UHFFFAOYSA-N 2 2 389.588 3.360 20 0 GGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 ZINC000133730974 1416952797 /nfs/dbraw/zinc/95/27/97/1416952797.db2.gz JWHAQZFXOPYMBU-UHFFFAOYSA-N 2 2 386.492 3.324 20 0 GGADLP COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)c1 ZINC000133760727 1416958306 /nfs/dbraw/zinc/95/83/06/1416958306.db2.gz HXRWZOLFNMEKKO-LEOXJPRUSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)c1 ZINC000133760727 1416958309 /nfs/dbraw/zinc/95/83/09/1416958309.db2.gz HXRWZOLFNMEKKO-LEOXJPRUSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)N(C)C)c1 ZINC000133760727 1416958313 /nfs/dbraw/zinc/95/83/13/1416958313.db2.gz HXRWZOLFNMEKKO-LEOXJPRUSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)N(C)C)c1 ZINC000133760727 1416958316 /nfs/dbraw/zinc/95/83/16/1416958316.db2.gz HXRWZOLFNMEKKO-LEOXJPRUSA-N 2 2 382.552 3.193 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133834500 1416972269 /nfs/dbraw/zinc/97/22/69/1416972269.db2.gz QRPRCYATGBVLRE-GOSISDBHSA-N 2 2 395.522 3.353 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133834500 1416972274 /nfs/dbraw/zinc/97/22/74/1416972274.db2.gz QRPRCYATGBVLRE-GOSISDBHSA-N 2 2 395.522 3.353 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000133834338 1416972616 /nfs/dbraw/zinc/97/26/16/1416972616.db2.gz QRPRCYATGBVLRE-SFHVURJKSA-N 2 2 395.522 3.353 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2ccc(F)cc2C1 ZINC000133834338 1416972625 /nfs/dbraw/zinc/97/26/25/1416972625.db2.gz QRPRCYATGBVLRE-SFHVURJKSA-N 2 2 395.522 3.353 20 0 GGADLP CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1OC(F)F ZINC000133873532 1416984363 /nfs/dbraw/zinc/98/43/63/1416984363.db2.gz XBOHNCAMISNKQE-KRWDZBQOSA-N 2 2 391.466 3.071 20 0 GGADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1nc(-c2ccccc2)cs1 ZINC000134299568 1417052141 /nfs/dbraw/zinc/05/21/41/1417052141.db2.gz YGYTVMUPJFRXSL-MRXNPFEDSA-N 2 2 394.548 3.203 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3ccccc3)c3cccc(F)c3)cn2)CC1 ZINC000134405421 1417066016 /nfs/dbraw/zinc/06/60/16/1417066016.db2.gz IGUXJIAZUPROEY-JOCHJYFZSA-N 2 2 391.494 3.247 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864760 1417135426 /nfs/dbraw/zinc/13/54/26/1417135426.db2.gz WSGVBSOLQGCZDG-GEQKSPFYSA-N 2 2 394.563 3.164 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864760 1417135429 /nfs/dbraw/zinc/13/54/29/1417135429.db2.gz WSGVBSOLQGCZDG-GEQKSPFYSA-N 2 2 394.563 3.164 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134864760 1417135432 /nfs/dbraw/zinc/13/54/32/1417135432.db2.gz WSGVBSOLQGCZDG-GEQKSPFYSA-N 2 2 394.563 3.164 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134864760 1417135440 /nfs/dbraw/zinc/13/54/40/1417135440.db2.gz WSGVBSOLQGCZDG-GEQKSPFYSA-N 2 2 394.563 3.164 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134875946 1417138246 /nfs/dbraw/zinc/13/82/46/1417138246.db2.gz NMRHFGLPCHPUDG-JGVSXONCSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134875946 1417138250 /nfs/dbraw/zinc/13/82/50/1417138250.db2.gz NMRHFGLPCHPUDG-JGVSXONCSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134875946 1417138254 /nfs/dbraw/zinc/13/82/54/1417138254.db2.gz NMRHFGLPCHPUDG-JGVSXONCSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134875946 1417138259 /nfs/dbraw/zinc/13/82/59/1417138259.db2.gz NMRHFGLPCHPUDG-JGVSXONCSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134888707 1417140076 /nfs/dbraw/zinc/14/00/76/1417140076.db2.gz HYCFTHPCJIKVHB-WRWLIDTKSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134888707 1417140078 /nfs/dbraw/zinc/14/00/78/1417140078.db2.gz HYCFTHPCJIKVHB-WRWLIDTKSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134888707 1417140080 /nfs/dbraw/zinc/14/00/80/1417140080.db2.gz HYCFTHPCJIKVHB-WRWLIDTKSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134888707 1417140081 /nfs/dbraw/zinc/14/00/81/1417140081.db2.gz HYCFTHPCJIKVHB-WRWLIDTKSA-N 2 2 375.944 3.293 20 0 GGADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134904470 1417142363 /nfs/dbraw/zinc/14/23/63/1417142363.db2.gz GIJYTBQRVWGDMQ-OFNKIYASSA-N 2 2 383.580 3.219 20 0 GGADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134904470 1417142366 /nfs/dbraw/zinc/14/23/66/1417142366.db2.gz GIJYTBQRVWGDMQ-OFNKIYASSA-N 2 2 383.580 3.219 20 0 GGADLP Cc1cc(C)c(CCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000134904470 1417142369 /nfs/dbraw/zinc/14/23/69/1417142369.db2.gz GIJYTBQRVWGDMQ-OFNKIYASSA-N 2 2 383.580 3.219 20 0 GGADLP Cc1cc(C)c(CCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000134904470 1417142373 /nfs/dbraw/zinc/14/23/73/1417142373.db2.gz GIJYTBQRVWGDMQ-OFNKIYASSA-N 2 2 383.580 3.219 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134912036 1417143691 /nfs/dbraw/zinc/14/36/91/1417143691.db2.gz RUVSXHKVYGEUAY-WAOWUJCRSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134912036 1417143693 /nfs/dbraw/zinc/14/36/93/1417143693.db2.gz RUVSXHKVYGEUAY-WAOWUJCRSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000134912036 1417143696 /nfs/dbraw/zinc/14/36/96/1417143696.db2.gz RUVSXHKVYGEUAY-WAOWUJCRSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000134912036 1417143698 /nfs/dbraw/zinc/14/36/98/1417143698.db2.gz RUVSXHKVYGEUAY-WAOWUJCRSA-N 2 2 398.551 3.289 20 0 GGADLP CC(C)OCc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134935338 1417148494 /nfs/dbraw/zinc/14/84/94/1417148494.db2.gz RGEBVCZMGSKUKY-GGAORHGYSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134935338 1417148499 /nfs/dbraw/zinc/14/84/99/1417148499.db2.gz RGEBVCZMGSKUKY-GGAORHGYSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134935338 1417148509 /nfs/dbraw/zinc/14/85/09/1417148509.db2.gz RGEBVCZMGSKUKY-GGAORHGYSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134935338 1417148516 /nfs/dbraw/zinc/14/85/16/1417148516.db2.gz RGEBVCZMGSKUKY-GGAORHGYSA-N 2 2 399.579 3.177 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1F ZINC000135201537 1417186762 /nfs/dbraw/zinc/18/67/62/1417186762.db2.gz KPFIRCMLBGGXDJ-UHFFFAOYSA-N 2 2 381.455 3.072 20 0 GGADLP Cc1nc(CC(C)C)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000135433486 1417219879 /nfs/dbraw/zinc/21/98/79/1417219879.db2.gz CJOQLPGHFHCIPG-UHFFFAOYSA-N 2 2 381.590 3.140 20 0 GGADLP Cc1nc(CC(C)C)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000135433486 1417219882 /nfs/dbraw/zinc/21/98/82/1417219882.db2.gz CJOQLPGHFHCIPG-UHFFFAOYSA-N 2 2 381.590 3.140 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000136185092 1417299726 /nfs/dbraw/zinc/29/97/26/1417299726.db2.gz YYTYYSOTYZWCBB-CTNGQTDRSA-N 2 2 395.551 3.221 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000136574921 1417327903 /nfs/dbraw/zinc/32/79/03/1417327903.db2.gz OTHFKGLAVBJFHD-NRFANRHFSA-N 2 2 397.567 3.426 20 0 GGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1OC(F)F ZINC000136585508 1417330189 /nfs/dbraw/zinc/33/01/89/1417330189.db2.gz SFJANPAOAPSUJQ-IAGOWNOFSA-N 2 2 384.467 3.154 20 0 GGADLP COc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000136599030 1417331171 /nfs/dbraw/zinc/33/11/71/1417331171.db2.gz MWYNXDGIMNFHBX-ROUUACIJSA-N 2 2 384.467 3.154 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000136780086 1417345201 /nfs/dbraw/zinc/34/52/01/1417345201.db2.gz IGUDSRHRVXWVMC-NRFANRHFSA-N 2 2 395.551 3.180 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000136863175 1417351648 /nfs/dbraw/zinc/35/16/48/1417351648.db2.gz JNUNNDBRAYFHCB-HSALFYBXSA-N 2 2 389.588 3.142 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000136863175 1417351650 /nfs/dbraw/zinc/35/16/50/1417351650.db2.gz JNUNNDBRAYFHCB-HSALFYBXSA-N 2 2 389.588 3.142 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000137114498 1417368623 /nfs/dbraw/zinc/36/86/23/1417368623.db2.gz ZYZBLTYLFFTXPY-LJQANCHMSA-N 2 2 383.540 3.347 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCCn2cc[nH+]c2)C1 ZINC000137114498 1417368628 /nfs/dbraw/zinc/36/86/28/1417368628.db2.gz ZYZBLTYLFFTXPY-LJQANCHMSA-N 2 2 383.540 3.347 20 0 GGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000137114982 1417368833 /nfs/dbraw/zinc/36/88/33/1417368833.db2.gz GQSPJBFVHFAYES-IBGZPJMESA-N 2 2 383.540 3.489 20 0 GGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCCn1cc[nH+]c1 ZINC000137114982 1417368839 /nfs/dbraw/zinc/36/88/39/1417368839.db2.gz GQSPJBFVHFAYES-IBGZPJMESA-N 2 2 383.540 3.489 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccco1 ZINC000137857837 1417397858 /nfs/dbraw/zinc/39/78/58/1417397858.db2.gz OAIIMEPORSPDPG-MSOLQXFVSA-N 2 2 387.528 3.060 20 0 GGADLP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000138205381 1417407747 /nfs/dbraw/zinc/40/77/47/1417407747.db2.gz OAAINPIIVAFBLM-FCHUYYIVSA-N 2 2 395.572 3.167 20 0 GGADLP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000138205381 1417407769 /nfs/dbraw/zinc/40/77/69/1417407769.db2.gz OAAINPIIVAFBLM-FCHUYYIVSA-N 2 2 395.572 3.167 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000178839805 1429190167 /nfs/dbraw/zinc/19/01/67/1429190167.db2.gz PCRXDTYJPONQMK-SFHVURJKSA-N 2 2 377.920 3.179 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000148903800 1417769741 /nfs/dbraw/zinc/76/97/41/1417769741.db2.gz RRJJWBJRYXLIJF-KRWDZBQOSA-N 2 2 387.553 3.157 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000148903800 1417769750 /nfs/dbraw/zinc/76/97/50/1417769750.db2.gz RRJJWBJRYXLIJF-KRWDZBQOSA-N 2 2 387.553 3.157 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150146080 1417785356 /nfs/dbraw/zinc/78/53/56/1417785356.db2.gz ZOGFJVAPPKBBOZ-UHFFFAOYSA-N 2 2 381.524 3.095 20 0 GGADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150751451 1417798711 /nfs/dbraw/zinc/79/87/11/1417798711.db2.gz WXTBMBUSWDITII-LJQANCHMSA-N 2 2 375.532 3.371 20 0 GGADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150751451 1417798716 /nfs/dbraw/zinc/79/87/16/1417798716.db2.gz WXTBMBUSWDITII-LJQANCHMSA-N 2 2 375.532 3.371 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150756081 1417800333 /nfs/dbraw/zinc/80/03/33/1417800333.db2.gz OBNZMIXDHIVPCL-MRXNPFEDSA-N 2 2 399.491 3.279 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)oc2c1 ZINC000150756081 1417800334 /nfs/dbraw/zinc/80/03/34/1417800334.db2.gz OBNZMIXDHIVPCL-MRXNPFEDSA-N 2 2 399.491 3.279 20 0 GGADLP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ncc(C(C)(C)C)o2)CC1 ZINC000151005506 1417853621 /nfs/dbraw/zinc/85/36/21/1417853621.db2.gz WJUQBRUAHDOJCP-UHFFFAOYSA-N 2 2 378.561 3.032 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000151005714 1417854018 /nfs/dbraw/zinc/85/40/18/1417854018.db2.gz ZJILQSRISMNNPZ-OAQYLSRUSA-N 2 2 384.568 3.267 20 0 GGADLP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151358266 1417934857 /nfs/dbraw/zinc/93/48/57/1417934857.db2.gz UTGWQQCIJJBHIF-XXBNENTESA-N 2 2 375.520 3.327 20 0 GGADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151384665 1417943960 /nfs/dbraw/zinc/94/39/60/1417943960.db2.gz KGDLVXJLDRDCCP-TYCQWZJGSA-N 2 2 392.507 3.252 20 0 GGADLP CN(C(=O)NCc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178929569 1429223165 /nfs/dbraw/zinc/22/31/65/1429223165.db2.gz RSTWFFFTTJAWEJ-SFTDATJTSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178929569 1429223169 /nfs/dbraw/zinc/22/31/69/1429223169.db2.gz RSTWFFFTTJAWEJ-SFTDATJTSA-N 2 2 390.547 3.304 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151433447 1417966640 /nfs/dbraw/zinc/96/66/40/1417966640.db2.gz HECLCGDTKOLXDC-CVDCTZTESA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151433447 1417966648 /nfs/dbraw/zinc/96/66/48/1417966648.db2.gz HECLCGDTKOLXDC-CVDCTZTESA-N 2 2 392.547 3.204 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3c(F)cccc3Cl)CC2)CC1 ZINC000151435426 1417967135 /nfs/dbraw/zinc/96/71/35/1417967135.db2.gz PWHNREKAXVZBQC-IRXDYDNUSA-N 2 2 393.934 3.257 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3c(F)cccc3Cl)CC2)CC1 ZINC000151435551 1417967277 /nfs/dbraw/zinc/96/72/77/1417967277.db2.gz PWHNREKAXVZBQC-SJORKVTESA-N 2 2 393.934 3.257 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3c(F)cccc3Cl)CC2)CC1 ZINC000151435486 1417967663 /nfs/dbraw/zinc/96/76/63/1417967663.db2.gz PWHNREKAXVZBQC-IAGOWNOFSA-N 2 2 393.934 3.257 20 0 GGADLP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000151574890 1418029692 /nfs/dbraw/zinc/02/96/92/1418029692.db2.gz UTECJHRHQHKTHL-YKSBVNFPSA-N 2 2 379.548 3.129 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151649581 1418049761 /nfs/dbraw/zinc/04/97/61/1418049761.db2.gz QBQRZHWACQYOAJ-RTBURBONSA-N 2 2 384.480 3.065 20 0 GGADLP C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000151650108 1418049789 /nfs/dbraw/zinc/04/97/89/1418049789.db2.gz WKVSQCDWSZFTMW-FHWLQOOXSA-N 2 2 385.512 3.296 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000151650179 1418050052 /nfs/dbraw/zinc/05/00/52/1418050052.db2.gz WKVSQCDWSZFTMW-CEXWTWQISA-N 2 2 385.512 3.296 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000151649422 1418050221 /nfs/dbraw/zinc/05/02/21/1418050221.db2.gz QBQRZHWACQYOAJ-RBUKOAKNSA-N 2 2 384.480 3.065 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000151707846 1418068064 /nfs/dbraw/zinc/06/80/64/1418068064.db2.gz QTGYQTQFCAWQAZ-SQNIBIBYSA-N 2 2 387.553 3.374 20 0 GGADLP C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000151776248 1418084957 /nfs/dbraw/zinc/08/49/57/1418084957.db2.gz MZXICTSOQQVTPX-CYBMUJFWSA-N 2 2 376.386 3.444 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)nc1 ZINC000179113588 1429266564 /nfs/dbraw/zinc/26/65/64/1429266564.db2.gz PSGOYJQHMCLWCI-MRXNPFEDSA-N 2 2 375.900 3.297 20 0 GGADLP C[N@@H+]1CC[C@@H](CNC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247498 1429304328 /nfs/dbraw/zinc/30/43/28/1429304328.db2.gz NYWBNCZWHYDOBI-YJBOKZPZSA-N 2 2 393.894 3.058 20 0 GGADLP C[N@H+]1CC[C@@H](CNC(=O)NCCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000179247498 1429304336 /nfs/dbraw/zinc/30/43/36/1429304336.db2.gz NYWBNCZWHYDOBI-YJBOKZPZSA-N 2 2 393.894 3.058 20 0 GGADLP Cc1cccc(C2=CC[N@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000179399656 1429358821 /nfs/dbraw/zinc/35/88/21/1429358821.db2.gz UFQCHPQOWITWAX-UHFFFAOYSA-N 2 2 390.531 3.218 20 0 GGADLP Cc1cccc(C2=CC[N@@H+](CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)c1 ZINC000179399656 1429358829 /nfs/dbraw/zinc/35/88/29/1429358829.db2.gz UFQCHPQOWITWAX-UHFFFAOYSA-N 2 2 390.531 3.218 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000179494857 1429394174 /nfs/dbraw/zinc/39/41/74/1429394174.db2.gz DCFGYSGKCYJTLT-HOJAQTOUSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000179494857 1429394178 /nfs/dbraw/zinc/39/41/78/1429394178.db2.gz DCFGYSGKCYJTLT-HOJAQTOUSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000179521734 1429408325 /nfs/dbraw/zinc/40/83/25/1429408325.db2.gz VRHOJZPSBIEEPI-QAPCUYQASA-N 2 2 376.451 3.121 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000179521734 1429408334 /nfs/dbraw/zinc/40/83/34/1429408334.db2.gz VRHOJZPSBIEEPI-QAPCUYQASA-N 2 2 376.451 3.121 20 0 GGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000179530874 1429412196 /nfs/dbraw/zinc/41/21/96/1429412196.db2.gz IFRARTHOEHHKQI-RBUKOAKNSA-N 2 2 396.535 3.257 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccccn3)CC2)cc1 ZINC000179636939 1429483240 /nfs/dbraw/zinc/48/32/40/1429483240.db2.gz YCPOHCCBWBRJSX-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)c3ccccn3)CC2)cc1 ZINC000179636939 1429483244 /nfs/dbraw/zinc/48/32/44/1429483244.db2.gz YCPOHCCBWBRJSX-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3ccccn3)CC2)cc1 ZINC000179636939 1429483247 /nfs/dbraw/zinc/48/32/47/1429483247.db2.gz YCPOHCCBWBRJSX-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3ccccn3)CC2)cc1 ZINC000179636939 1429483252 /nfs/dbraw/zinc/48/32/52/1429483252.db2.gz YCPOHCCBWBRJSX-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP CCCn1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000179654114 1429491329 /nfs/dbraw/zinc/49/13/29/1429491329.db2.gz RIEKEVHQUQJXHJ-WOJBJXKFSA-N 2 2 390.576 3.094 20 0 GGADLP CCCn1cc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000179654114 1429491335 /nfs/dbraw/zinc/49/13/35/1429491335.db2.gz RIEKEVHQUQJXHJ-WOJBJXKFSA-N 2 2 390.576 3.094 20 0 GGADLP CCCn1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000179654103 1429491450 /nfs/dbraw/zinc/49/14/50/1429491450.db2.gz RIEKEVHQUQJXHJ-PMACEKPBSA-N 2 2 390.576 3.094 20 0 GGADLP CCCn1cc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000179654103 1429491458 /nfs/dbraw/zinc/49/14/58/1429491458.db2.gz RIEKEVHQUQJXHJ-PMACEKPBSA-N 2 2 390.576 3.094 20 0 GGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000152365685 1422084577 /nfs/dbraw/zinc/08/45/77/1422084577.db2.gz XZNUJVXXDUNLOP-GOSISDBHSA-N 2 2 399.539 3.145 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Cn1cccn1 ZINC000152805458 1422255564 /nfs/dbraw/zinc/25/55/64/1422255564.db2.gz GLPPZEPCNRAGBA-QGZVFWFLSA-N 2 2 379.508 3.366 20 0 GGADLP CC[C@@H](CSc1ccccc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000152886763 1422283902 /nfs/dbraw/zinc/28/39/02/1422283902.db2.gz ZOZFPCXKNQQUCD-SFHVURJKSA-N 2 2 392.613 3.225 20 0 GGADLP CC[C@@H](CSc1ccccc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000152886763 1422283907 /nfs/dbraw/zinc/28/39/07/1422283907.db2.gz ZOZFPCXKNQQUCD-SFHVURJKSA-N 2 2 392.613 3.225 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)[NH+]2CCCC2)cc1 ZINC000152921687 1422296557 /nfs/dbraw/zinc/29/65/57/1422296557.db2.gz ZIYAHVNYQSPEEN-FGZHOGPDSA-N 2 2 394.519 3.390 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000153056052 1422342167 /nfs/dbraw/zinc/34/21/67/1422342167.db2.gz JDLQAWZEYLIEGU-NHCUHLMSSA-N 2 2 392.507 3.396 20 0 GGADLP C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153123387 1422364424 /nfs/dbraw/zinc/36/44/24/1422364424.db2.gz XZUDAHSMTSYKSV-INIZCTEOSA-N 2 2 385.489 3.005 20 0 GGADLP C[C@@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000153223873 1422399684 /nfs/dbraw/zinc/39/96/84/1422399684.db2.gz ZKCSPBWJCANWFL-NQIIRXRSSA-N 2 2 399.539 3.006 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000153231696 1422406823 /nfs/dbraw/zinc/40/68/23/1422406823.db2.gz OABMKDXXIIBLBH-BAGYTPMASA-N 2 2 395.551 3.040 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000153231696 1422406833 /nfs/dbraw/zinc/40/68/33/1422406833.db2.gz OABMKDXXIIBLBH-BAGYTPMASA-N 2 2 395.551 3.040 20 0 GGADLP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000153417558 1422523879 /nfs/dbraw/zinc/52/38/79/1422523879.db2.gz GXZLBGZAMCBCLA-ICSRJNTNSA-N 2 2 378.520 3.267 20 0 GGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153545507 1422600636 /nfs/dbraw/zinc/60/06/36/1422600636.db2.gz CZQJEQHEHXSHDP-PXNSSMCTSA-N 2 2 382.508 3.374 20 0 GGADLP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000153797170 1422763321 /nfs/dbraw/zinc/76/33/21/1422763321.db2.gz LDDZCIJZQXNFMZ-RTWAWAEBSA-N 2 2 380.492 3.081 20 0 GGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000153814496 1422775386 /nfs/dbraw/zinc/77/53/86/1422775386.db2.gz NFVPHXOTGBBOOW-INIZCTEOSA-N 2 2 397.610 3.070 20 0 GGADLP C[N@@H+]1CCC[C@@H]1CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000153872295 1422802862 /nfs/dbraw/zinc/80/28/62/1422802862.db2.gz FSLJXQLVTXMSKL-LJQANCHMSA-N 2 2 385.581 3.499 20 0 GGADLP C[N@H+]1CCC[C@@H]1CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000153872295 1422802863 /nfs/dbraw/zinc/80/28/63/1422802863.db2.gz FSLJXQLVTXMSKL-LJQANCHMSA-N 2 2 385.581 3.499 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000154332454 1422873899 /nfs/dbraw/zinc/87/38/99/1422873899.db2.gz MHQIOLVRASRYSH-UHFFFAOYSA-N 2 2 390.959 3.187 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000154375236 1422880817 /nfs/dbraw/zinc/88/08/17/1422880817.db2.gz VINMHCONIOZERI-UYAOXDASSA-N 2 2 375.561 3.234 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000154522777 1422901370 /nfs/dbraw/zinc/90/13/70/1422901370.db2.gz NOFIJLNFKXROJL-JOCHJYFZSA-N 2 2 394.519 3.217 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154532619 1422907353 /nfs/dbraw/zinc/90/73/53/1422907353.db2.gz NNLVKBLNTXIUMZ-OAQYLSRUSA-N 2 2 382.508 3.285 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000154532619 1422907374 /nfs/dbraw/zinc/90/73/74/1422907374.db2.gz NNLVKBLNTXIUMZ-OAQYLSRUSA-N 2 2 382.508 3.285 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154630965 1422971481 /nfs/dbraw/zinc/97/14/81/1422971481.db2.gz QXCBLHJKCLXECB-PMSBKCLSSA-N 2 2 383.540 3.071 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154630965 1422971495 /nfs/dbraw/zinc/97/14/95/1422971495.db2.gz QXCBLHJKCLXECB-PMSBKCLSSA-N 2 2 383.540 3.071 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000154640791 1422977343 /nfs/dbraw/zinc/97/73/43/1422977343.db2.gz IMUIHPRZMIYTNB-OAQYLSRUSA-N 2 2 387.474 3.307 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000154640791 1422977360 /nfs/dbraw/zinc/97/73/60/1422977360.db2.gz IMUIHPRZMIYTNB-OAQYLSRUSA-N 2 2 387.474 3.307 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000154902838 1423073409 /nfs/dbraw/zinc/07/34/09/1423073409.db2.gz MMGVAVYNDZMUQE-UHFFFAOYSA-N 2 2 386.584 3.067 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000154902838 1423073422 /nfs/dbraw/zinc/07/34/22/1423073422.db2.gz MMGVAVYNDZMUQE-UHFFFAOYSA-N 2 2 386.584 3.067 20 0 GGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000155150372 1423197630 /nfs/dbraw/zinc/19/76/30/1423197630.db2.gz IJLVIOKACMQFGF-GOSISDBHSA-N 2 2 397.519 3.207 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1F ZINC000155159123 1423202481 /nfs/dbraw/zinc/20/24/81/1423202481.db2.gz UMZSPFQQQOHQRF-QGZVFWFLSA-N 2 2 388.483 3.396 20 0 GGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC000155159451 1423202530 /nfs/dbraw/zinc/20/25/30/1423202530.db2.gz VOVKSCCSKJMFOC-HSZRJFAPSA-N 2 2 382.504 3.183 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccnc1Cl ZINC000155161448 1423204137 /nfs/dbraw/zinc/20/41/37/1423204137.db2.gz UWFYPZKHCUTLIV-MRXNPFEDSA-N 2 2 375.900 3.297 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000155170749 1423209328 /nfs/dbraw/zinc/20/93/28/1423209328.db2.gz CHPNXKRLKKHLKC-GOSISDBHSA-N 2 2 398.503 3.020 20 0 GGADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CCC2 ZINC000155176428 1423214071 /nfs/dbraw/zinc/21/40/71/1423214071.db2.gz HJDJZXKRGNKJGA-LJQANCHMSA-N 2 2 387.549 3.330 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000155294675 1423304403 /nfs/dbraw/zinc/30/44/03/1423304403.db2.gz MOBFZEDARLRUKX-MSOLQXFVSA-N 2 2 379.932 3.086 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000155294675 1423304416 /nfs/dbraw/zinc/30/44/16/1423304416.db2.gz MOBFZEDARLRUKX-MSOLQXFVSA-N 2 2 379.932 3.086 20 0 GGADLP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc12 ZINC000155301383 1423308153 /nfs/dbraw/zinc/30/81/53/1423308153.db2.gz ZZYDXXYCNWJNEF-LAUBAEHRSA-N 2 2 383.536 3.442 20 0 GGADLP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c2ccccc12 ZINC000155301383 1423308168 /nfs/dbraw/zinc/30/81/68/1423308168.db2.gz ZZYDXXYCNWJNEF-LAUBAEHRSA-N 2 2 383.536 3.442 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155308659 1423310785 /nfs/dbraw/zinc/31/07/85/1423310785.db2.gz LBLGSEOIYHKGTE-GCJKJVERSA-N 2 2 378.520 3.209 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155308659 1423310798 /nfs/dbraw/zinc/31/07/98/1423310798.db2.gz LBLGSEOIYHKGTE-GCJKJVERSA-N 2 2 378.520 3.209 20 0 GGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155307226 1423311231 /nfs/dbraw/zinc/31/12/31/1423311231.db2.gz QDSKYPYAYHMKSP-CRAIPNDOSA-N 2 2 381.948 3.332 20 0 GGADLP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155307226 1423311245 /nfs/dbraw/zinc/31/12/45/1423311245.db2.gz QDSKYPYAYHMKSP-CRAIPNDOSA-N 2 2 381.948 3.332 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000155411693 1423353176 /nfs/dbraw/zinc/35/31/76/1423353176.db2.gz RHDWLSVVHNWJPP-LEWJYISDSA-N 2 2 399.535 3.070 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000155411693 1423353186 /nfs/dbraw/zinc/35/31/86/1423353186.db2.gz RHDWLSVVHNWJPP-LEWJYISDSA-N 2 2 399.535 3.070 20 0 GGADLP Cc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000155500930 1423388132 /nfs/dbraw/zinc/38/81/32/1423388132.db2.gz JRHCELLNAYFDCK-UHFFFAOYSA-N 2 2 383.536 3.166 20 0 GGADLP Cc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc(C)c1OCc1ccccn1 ZINC000155500930 1423388142 /nfs/dbraw/zinc/38/81/42/1423388142.db2.gz JRHCELLNAYFDCK-UHFFFAOYSA-N 2 2 383.536 3.166 20 0 GGADLP C[S@](=O)c1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000155541062 1423409080 /nfs/dbraw/zinc/40/90/80/1423409080.db2.gz SJGVBFAEQSJWLP-MUUNZHRXSA-N 2 2 399.604 3.112 20 0 GGADLP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1nc(C(C)(C)C)[nH]c1=S ZINC000179918104 1429640044 /nfs/dbraw/zinc/64/00/44/1429640044.db2.gz XUCBCKIBPLPUEI-UHFFFAOYSA-N 2 2 388.585 3.455 20 0 GGADLP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cn1nc(C(C)(C)C)[nH]c1=S ZINC000179918104 1429640046 /nfs/dbraw/zinc/64/00/46/1429640046.db2.gz XUCBCKIBPLPUEI-UHFFFAOYSA-N 2 2 388.585 3.455 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000155669680 1423477985 /nfs/dbraw/zinc/47/79/85/1423477985.db2.gz DYEHPBFPCWLBGM-HOCLYGCPSA-N 2 2 399.366 3.032 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000155669680 1423477994 /nfs/dbraw/zinc/47/79/94/1423477994.db2.gz DYEHPBFPCWLBGM-HOCLYGCPSA-N 2 2 399.366 3.032 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000155669573 1423478099 /nfs/dbraw/zinc/47/80/99/1423478099.db2.gz DYEHPBFPCWLBGM-GOEBONIOSA-N 2 2 399.366 3.032 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000155669573 1423478107 /nfs/dbraw/zinc/47/81/07/1423478107.db2.gz DYEHPBFPCWLBGM-GOEBONIOSA-N 2 2 399.366 3.032 20 0 GGADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cnn(C)c1 ZINC000155693624 1423489629 /nfs/dbraw/zinc/48/96/29/1423489629.db2.gz XZTCIGUVYVZKGX-HXUWFJFHSA-N 2 2 375.948 3.327 20 0 GGADLP CCn1cc([C@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000155702382 1423495106 /nfs/dbraw/zinc/49/51/06/1423495106.db2.gz BNTZETISGWFKSS-KRWDZBQOSA-N 2 2 375.948 3.419 20 0 GGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000155705795 1423496886 /nfs/dbraw/zinc/49/68/86/1423496886.db2.gz KTMJDCBVHOPATO-SFHVURJKSA-N 3 2 378.992 3.172 20 0 GGADLP C[NH+]1CCN(c2ncc(C[N@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)cn2)CC1 ZINC000179936078 1429651104 /nfs/dbraw/zinc/65/11/04/1429651104.db2.gz QCMKMMMXSJZGQE-DEOSSOPVSA-N 2 2 399.542 3.376 20 0 GGADLP C[NH+]1CCN(c2ncc(C[N@@H+]3Cc4ccccc4[C@H](c4ccccc4)C3)cn2)CC1 ZINC000179936078 1429651113 /nfs/dbraw/zinc/65/11/13/1429651113.db2.gz QCMKMMMXSJZGQE-DEOSSOPVSA-N 2 2 399.542 3.376 20 0 GGADLP C[NH+]1CCN(c2ncc(C[N@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)cn2)CC1 ZINC000179936098 1429651366 /nfs/dbraw/zinc/65/13/66/1429651366.db2.gz QCMKMMMXSJZGQE-XMMPIXPASA-N 2 2 399.542 3.376 20 0 GGADLP C[NH+]1CCN(c2ncc(C[N@@H+]3Cc4ccccc4[C@@H](c4ccccc4)C3)cn2)CC1 ZINC000179936098 1429651369 /nfs/dbraw/zinc/65/13/69/1429651369.db2.gz QCMKMMMXSJZGQE-XMMPIXPASA-N 2 2 399.542 3.376 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000155853808 1423563437 /nfs/dbraw/zinc/56/34/37/1423563437.db2.gz PHCUEJVECMGKOI-HXUWFJFHSA-N 2 2 385.556 3.232 20 0 GGADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000155977520 1423617544 /nfs/dbraw/zinc/61/75/44/1423617544.db2.gz GTEYFNLVTNGOLR-FQEVSTJZSA-N 2 2 388.515 3.491 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC2)CC1 ZINC000156011153 1423632391 /nfs/dbraw/zinc/63/23/91/1423632391.db2.gz IPZJJSDPVGYAQF-MRXNPFEDSA-N 2 2 392.510 3.211 20 0 GGADLP CCNC(=O)c1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000156533015 1423824282 /nfs/dbraw/zinc/82/42/82/1423824282.db2.gz LAOYKICIGBATKQ-UHFFFAOYSA-N 2 2 380.536 3.261 20 0 GGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3csc(N(C)C4CC4)n3)CC2)C[C@@H](C)O1 ZINC000156616224 1423836228 /nfs/dbraw/zinc/83/62/28/1423836228.db2.gz CZXGRCCVJZSIIV-HZPDHXFCSA-N 2 2 378.586 3.063 20 0 GGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3csc(N(C)C4CC4)n3)CC2)C[C@H](C)O1 ZINC000156616094 1423836388 /nfs/dbraw/zinc/83/63/88/1423836388.db2.gz CZXGRCCVJZSIIV-HOTGVXAUSA-N 2 2 378.586 3.063 20 0 GGADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000156792444 1423865755 /nfs/dbraw/zinc/86/57/55/1423865755.db2.gz ZNZLCJKMPRKGON-DOIPELPJSA-N 2 2 391.600 3.033 20 0 GGADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000156792444 1423865762 /nfs/dbraw/zinc/86/57/62/1423865762.db2.gz ZNZLCJKMPRKGON-DOIPELPJSA-N 2 2 391.600 3.033 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000157001713 1423900174 /nfs/dbraw/zinc/90/01/74/1423900174.db2.gz SJUAIPNRIVVTGS-GHTZIAJQSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)Cc2cc(=O)n3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000157001713 1423900176 /nfs/dbraw/zinc/90/01/76/1423900176.db2.gz SJUAIPNRIVVTGS-GHTZIAJQSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000157001713 1423900179 /nfs/dbraw/zinc/90/01/79/1423900179.db2.gz SJUAIPNRIVVTGS-GHTZIAJQSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000157001713 1423900181 /nfs/dbraw/zinc/90/01/81/1423900181.db2.gz SJUAIPNRIVVTGS-GHTZIAJQSA-N 2 2 376.504 3.179 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000157067816 1423915986 /nfs/dbraw/zinc/91/59/86/1423915986.db2.gz ZYKKUEUYROBXJD-CGTJXYLNSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000157067816 1423915992 /nfs/dbraw/zinc/91/59/92/1423915992.db2.gz ZYKKUEUYROBXJD-CGTJXYLNSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@H]1C[C@H]([N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000157067816 1423915999 /nfs/dbraw/zinc/91/59/99/1423915999.db2.gz ZYKKUEUYROBXJD-CGTJXYLNSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@H]1C[C@H]([N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000157067816 1423916009 /nfs/dbraw/zinc/91/60/09/1423916009.db2.gz ZYKKUEUYROBXJD-CGTJXYLNSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000157077600 1423918980 /nfs/dbraw/zinc/91/89/80/1423918980.db2.gz AOFQEQZPFRSMBD-QUCCMNQESA-N 2 2 394.519 3.177 20 0 GGADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000157077600 1423918984 /nfs/dbraw/zinc/91/89/84/1423918984.db2.gz AOFQEQZPFRSMBD-QUCCMNQESA-N 2 2 394.519 3.177 20 0 GGADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000157077600 1423918991 /nfs/dbraw/zinc/91/89/91/1423918991.db2.gz AOFQEQZPFRSMBD-QUCCMNQESA-N 2 2 394.519 3.177 20 0 GGADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000157077600 1423918998 /nfs/dbraw/zinc/91/89/98/1423918998.db2.gz AOFQEQZPFRSMBD-QUCCMNQESA-N 2 2 394.519 3.177 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSc3nccc4ccccc43)CC2)CC1 ZINC000157138532 1423934359 /nfs/dbraw/zinc/93/43/59/1423934359.db2.gz MFPBWDXZQHFDNX-UHFFFAOYSA-N 2 2 398.576 3.002 20 0 GGADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157189331 1423949894 /nfs/dbraw/zinc/94/98/94/1423949894.db2.gz BYNDFMYBJPZMPX-GOSISDBHSA-N 2 2 395.494 3.197 20 0 GGADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157189331 1423949896 /nfs/dbraw/zinc/94/98/96/1423949896.db2.gz BYNDFMYBJPZMPX-GOSISDBHSA-N 2 2 395.494 3.197 20 0 GGADLP CC1CCC2(CC1)OC[C@H](C[NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)O2 ZINC000180005196 1429686261 /nfs/dbraw/zinc/68/62/61/1429686261.db2.gz YHOOPCXEDMTQDJ-PHBIXPCASA-N 2 2 383.536 3.434 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000157331116 1423986147 /nfs/dbraw/zinc/98/61/47/1423986147.db2.gz DNSSULJQXZSTLI-JLSDUUJJSA-N 2 2 383.458 3.441 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000157331116 1423986154 /nfs/dbraw/zinc/98/61/54/1423986154.db2.gz DNSSULJQXZSTLI-JLSDUUJJSA-N 2 2 383.458 3.441 20 0 GGADLP Cn1cc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2cccc(F)c2)cn1 ZINC000180010423 1429689887 /nfs/dbraw/zinc/68/98/87/1429689887.db2.gz FHVRWMDKIQUJPE-QHCPKHFHSA-N 2 2 394.494 3.271 20 0 GGADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000157444282 1424012499 /nfs/dbraw/zinc/01/24/99/1424012499.db2.gz XIWXJSOPMXPIPG-GOSISDBHSA-N 2 2 376.888 3.257 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCCOCC3CCOCC3)CC2)cc1 ZINC000157517689 1424028291 /nfs/dbraw/zinc/02/82/91/1424028291.db2.gz GZNHSNYNLRURTB-UHFFFAOYSA-N 2 2 375.557 3.144 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157791555 1424088636 /nfs/dbraw/zinc/08/86/36/1424088636.db2.gz NKVZRPULKBEHJJ-CJNGLKHVSA-N 2 2 385.430 3.376 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157791555 1424088645 /nfs/dbraw/zinc/08/86/45/1424088645.db2.gz NKVZRPULKBEHJJ-CJNGLKHVSA-N 2 2 385.430 3.376 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000157812216 1424093296 /nfs/dbraw/zinc/09/32/96/1424093296.db2.gz AVYQIWYXGYKOCC-QZTJIDSGSA-N 2 2 399.539 3.355 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000157912309 1424118514 /nfs/dbraw/zinc/11/85/14/1424118514.db2.gz PVZVQAAPKRWRPR-UHFFFAOYSA-N 2 2 399.882 3.158 20 0 GGADLP CCC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000157963569 1424130087 /nfs/dbraw/zinc/13/00/87/1424130087.db2.gz LWVJVFXROCZVRO-ROUUACIJSA-N 2 2 388.556 3.292 20 0 GGADLP O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)cc1 ZINC000158008853 1424138892 /nfs/dbraw/zinc/13/88/92/1424138892.db2.gz ZDIKTTFAHUMFSZ-UTKZUKDTSA-N 2 2 381.480 3.365 20 0 GGADLP O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)cc1 ZINC000158008853 1424138899 /nfs/dbraw/zinc/13/88/99/1424138899.db2.gz ZDIKTTFAHUMFSZ-UTKZUKDTSA-N 2 2 381.480 3.365 20 0 GGADLP O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000158008853 1424138903 /nfs/dbraw/zinc/13/89/03/1424138903.db2.gz ZDIKTTFAHUMFSZ-UTKZUKDTSA-N 2 2 381.480 3.365 20 0 GGADLP O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000158008853 1424138911 /nfs/dbraw/zinc/13/89/11/1424138911.db2.gz ZDIKTTFAHUMFSZ-UTKZUKDTSA-N 2 2 381.480 3.365 20 0 GGADLP CC(C)COCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158157287 1424181681 /nfs/dbraw/zinc/18/16/81/1424181681.db2.gz DZZCISXELCAQSS-NHCUHLMSSA-N 2 2 396.620 3.028 20 0 GGADLP CC(C)COCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158157287 1424181683 /nfs/dbraw/zinc/18/16/83/1424181683.db2.gz DZZCISXELCAQSS-NHCUHLMSSA-N 2 2 396.620 3.028 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)c3cccc(Cl)c3)CC2)CC1 ZINC000158198278 1424192471 /nfs/dbraw/zinc/19/24/71/1424192471.db2.gz MEEVFCDXNYWFPT-UHFFFAOYSA-N 2 2 392.975 3.433 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158496667 1424272539 /nfs/dbraw/zinc/27/25/39/1424272539.db2.gz KQBKPNRDEXWVBZ-HXUWFJFHSA-N 2 2 378.520 3.370 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1nc2ccccc2n1C ZINC000180053744 1429715931 /nfs/dbraw/zinc/71/59/31/1429715931.db2.gz CECWHJVIESCHNL-GOSISDBHSA-N 2 2 394.519 3.135 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158712996 1424325068 /nfs/dbraw/zinc/32/50/68/1424325068.db2.gz BGBNNUFMWKICSM-WMZHIEFXSA-N 2 2 376.504 3.424 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2csc(CC(=O)N(C)C)n2)CC1 ZINC000158956395 1424381375 /nfs/dbraw/zinc/38/13/75/1424381375.db2.gz FSLLUCVRYQTRBY-KRWDZBQOSA-N 2 2 392.613 3.250 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2csc(CC(=O)N(C)C)n2)CC1 ZINC000158956395 1424381383 /nfs/dbraw/zinc/38/13/83/1424381383.db2.gz FSLLUCVRYQTRBY-KRWDZBQOSA-N 2 2 392.613 3.250 20 0 GGADLP COc1ccc([C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)C)cc1 ZINC000180075208 1429725946 /nfs/dbraw/zinc/72/59/46/1429725946.db2.gz RMRBZIMMWOTYKP-QHCPKHFHSA-N 2 2 396.535 3.116 20 0 GGADLP CN(C(=O)NCCSC(C)(C)C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000160609697 1424618316 /nfs/dbraw/zinc/61/83/16/1424618316.db2.gz ZZNGRJBUCASNLX-MOPGFXCFSA-N 2 2 398.661 3.497 20 0 GGADLP CN(C(=O)NCCSC(C)(C)C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000160609697 1424618322 /nfs/dbraw/zinc/61/83/22/1424618322.db2.gz ZZNGRJBUCASNLX-MOPGFXCFSA-N 2 2 398.661 3.497 20 0 GGADLP CC1(C)Cc2cccc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)c2O1 ZINC000161799531 1424767640 /nfs/dbraw/zinc/76/76/40/1424767640.db2.gz ABIXJOROCKXAOK-UHFFFAOYSA-N 2 2 396.531 3.401 20 0 GGADLP CC1(C)Cc2cccc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)c2O1 ZINC000161825629 1424773062 /nfs/dbraw/zinc/77/30/62/1424773062.db2.gz JLZGRRWLSHUYQL-UHFFFAOYSA-N 2 2 396.531 3.401 20 0 GGADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(F)c1 ZINC000162008745 1424808161 /nfs/dbraw/zinc/80/81/61/1424808161.db2.gz IWXYCXKKDGSBKP-KRWDZBQOSA-N 2 2 388.483 3.396 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC000162219800 1424827862 /nfs/dbraw/zinc/82/78/62/1424827862.db2.gz BFJUYRPVAOGWKF-IBGZPJMESA-N 2 2 397.922 3.063 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000162252355 1424830945 /nfs/dbraw/zinc/83/09/45/1424830945.db2.gz KXJKQQCEAQNOIB-UHFFFAOYSA-N 2 2 382.405 3.281 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)CC(C)C ZINC000162465125 1424855906 /nfs/dbraw/zinc/85/59/06/1424855906.db2.gz NDJQTFASMRSZBG-SFHVURJKSA-N 2 2 391.560 3.105 20 0 GGADLP Cc1cccc2c(CCC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c[nH]c21 ZINC000162473542 1424856911 /nfs/dbraw/zinc/85/69/11/1424856911.db2.gz YRJGGBOBICMDGB-UHFFFAOYSA-N 2 2 382.552 3.084 20 0 GGADLP Cc1ccc(NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)c(N(C)C)[nH+]1 ZINC000162484269 1424857459 /nfs/dbraw/zinc/85/74/59/1424857459.db2.gz RXDZFICIBVGDGX-UHFFFAOYSA-N 2 2 385.512 3.108 20 0 GGADLP Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)c(N(C)C)[nH+]1 ZINC000162519569 1424861076 /nfs/dbraw/zinc/86/10/76/1424861076.db2.gz PIZFTNSAUPHMLS-UHFFFAOYSA-N 2 2 391.466 3.330 20 0 GGADLP COCC[N@H+](C)CCCC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000162553148 1424865783 /nfs/dbraw/zinc/86/57/83/1424865783.db2.gz HTLZGLKZIVFASM-UHFFFAOYSA-N 2 2 388.560 3.156 20 0 GGADLP COCC[N@@H+](C)CCCC1CCN(c2[nH+]cnc3c2cnn3C(C)(C)C)CC1 ZINC000162553148 1424865787 /nfs/dbraw/zinc/86/57/87/1424865787.db2.gz HTLZGLKZIVFASM-UHFFFAOYSA-N 2 2 388.560 3.156 20 0 GGADLP Cc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c(N(C)C)[nH+]1 ZINC000162561454 1424866173 /nfs/dbraw/zinc/86/61/73/1424866173.db2.gz GGELTGVSHQSUKE-MRXNPFEDSA-N 2 2 382.512 3.198 20 0 GGADLP CC[S@@](=O)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000162939932 1424909886 /nfs/dbraw/zinc/90/98/86/1424909886.db2.gz VHFNTVCLIHSFQG-JCWFFFCVSA-N 2 2 377.598 3.391 20 0 GGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1cccc(-n2cnnn2)c1 ZINC000163028616 1424925629 /nfs/dbraw/zinc/92/56/29/1424925629.db2.gz NQZVDWDWIOWPPN-KRWDZBQOSA-N 2 2 386.569 3.065 20 0 GGADLP C[C@@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000163037288 1424927711 /nfs/dbraw/zinc/92/77/11/1424927711.db2.gz KLYJWBRJFYSDAQ-QGZVFWFLSA-N 2 2 386.569 3.065 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000163344284 1424983238 /nfs/dbraw/zinc/98/32/38/1424983238.db2.gz UMGXOTCEDOYZGE-UHFFFAOYSA-N 2 2 392.450 3.031 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)cn2c1 ZINC000163434431 1424997725 /nfs/dbraw/zinc/99/77/25/1424997725.db2.gz LPIAJIXWPVOOQG-SFHVURJKSA-N 2 2 388.581 3.360 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)cn2c1 ZINC000163434431 1424997737 /nfs/dbraw/zinc/99/77/37/1424997737.db2.gz LPIAJIXWPVOOQG-SFHVURJKSA-N 2 2 388.581 3.360 20 0 GGADLP c1ccc(CC[NH+]2CCC([NH2+]Cc3cccc(CN4CCOCC4)c3)CC2)cc1 ZINC000163704803 1425036113 /nfs/dbraw/zinc/03/61/13/1425036113.db2.gz VIVKAKQECZVUSO-UHFFFAOYSA-N 2 2 393.575 3.316 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163802140 1425046033 /nfs/dbraw/zinc/04/60/33/1425046033.db2.gz AXYASTYNULNIQI-KRWDZBQOSA-N 2 2 390.553 3.265 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000163815008 1425047736 /nfs/dbraw/zinc/04/77/36/1425047736.db2.gz WEZNXVWVICLWBG-OAHLLOKOSA-N 2 2 378.586 3.446 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000163956330 1425061383 /nfs/dbraw/zinc/06/13/83/1425061383.db2.gz IASXTMHNXNURHP-KRWDZBQOSA-N 2 2 386.565 3.398 20 0 GGADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000164019467 1425068472 /nfs/dbraw/zinc/06/84/72/1425068472.db2.gz XHSOSWCGORJGNE-OAQYLSRUSA-N 2 2 383.923 3.089 20 0 GGADLP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000164019467 1425068479 /nfs/dbraw/zinc/06/84/79/1425068479.db2.gz XHSOSWCGORJGNE-OAQYLSRUSA-N 2 2 383.923 3.089 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 ZINC000164548728 1425122533 /nfs/dbraw/zinc/12/25/33/1425122533.db2.gz UGOMOJXMTFZANG-GOSISDBHSA-N 2 2 388.556 3.320 20 0 GGADLP COc1cccc2c1OC[C@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)C2 ZINC000164550479 1425123011 /nfs/dbraw/zinc/12/30/11/1425123011.db2.gz APYWZIRZBRKRSW-LJQANCHMSA-N 2 2 381.520 3.323 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[NH+]1CCCCC1 ZINC000164875985 1425148054 /nfs/dbraw/zinc/14/80/54/1425148054.db2.gz RWRZMACMQXPAFQ-FYYLOGMGSA-N 2 2 393.531 3.225 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000165338616 1425175030 /nfs/dbraw/zinc/17/50/30/1425175030.db2.gz OYWDBGIAYFVFTE-VTZPFEBOSA-N 3 2 392.591 3.446 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000165338616 1425175045 /nfs/dbraw/zinc/17/50/45/1425175045.db2.gz OYWDBGIAYFVFTE-VTZPFEBOSA-N 3 2 392.591 3.446 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000165338616 1425175053 /nfs/dbraw/zinc/17/50/53/1425175053.db2.gz OYWDBGIAYFVFTE-VTZPFEBOSA-N 3 2 392.591 3.446 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000165338616 1425175066 /nfs/dbraw/zinc/17/50/66/1425175066.db2.gz OYWDBGIAYFVFTE-VTZPFEBOSA-N 3 2 392.591 3.446 20 0 GGADLP Cc1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000165543754 1425184891 /nfs/dbraw/zinc/18/48/91/1425184891.db2.gz UMOGAUBAGXQLIN-IAGOWNOFSA-N 2 2 379.574 3.252 20 0 GGADLP Cc1csc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000165543754 1425184904 /nfs/dbraw/zinc/18/49/04/1425184904.db2.gz UMOGAUBAGXQLIN-IAGOWNOFSA-N 2 2 379.574 3.252 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165587099 1425186187 /nfs/dbraw/zinc/18/61/87/1425186187.db2.gz FYHOVVDUMSIGBQ-GJYPPUQNSA-N 3 2 398.517 3.276 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165587099 1425186196 /nfs/dbraw/zinc/18/61/96/1425186196.db2.gz FYHOVVDUMSIGBQ-GJYPPUQNSA-N 3 2 398.517 3.276 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000165579377 1425186659 /nfs/dbraw/zinc/18/66/59/1425186659.db2.gz HRFHGQVQMILADD-CRAIPNDOSA-N 3 2 384.490 3.030 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000165579377 1425186672 /nfs/dbraw/zinc/18/66/72/1425186672.db2.gz HRFHGQVQMILADD-CRAIPNDOSA-N 3 2 384.490 3.030 20 0 GGADLP C[C@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000165597111 1425187166 /nfs/dbraw/zinc/18/71/66/1425187166.db2.gz SHEVDVRMPAJPNZ-YJBOKZPZSA-N 2 2 396.501 3.172 20 0 GGADLP C[C@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000165597111 1425187180 /nfs/dbraw/zinc/18/71/80/1425187180.db2.gz SHEVDVRMPAJPNZ-YJBOKZPZSA-N 2 2 396.501 3.172 20 0 GGADLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000165587654 1425187964 /nfs/dbraw/zinc/18/79/64/1425187964.db2.gz VPPWYLUPIAYCAD-AWEZNQCLSA-N 2 2 379.430 3.098 20 0 GGADLP Cc1ccc2c(c1)[C@@H]([NH2+]CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000166409255 1425212712 /nfs/dbraw/zinc/21/27/12/1425212712.db2.gz ALWYDJLFTRAZPC-NRFANRHFSA-N 2 2 378.520 3.096 20 0 GGADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166701507 1425216593 /nfs/dbraw/zinc/21/65/93/1425216593.db2.gz MBNOYFHCUBBFNP-RBUKOAKNSA-N 3 2 396.501 3.174 20 0 GGADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166701507 1425216601 /nfs/dbraw/zinc/21/66/01/1425216601.db2.gz MBNOYFHCUBBFNP-RBUKOAKNSA-N 3 2 396.501 3.174 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000168597973 1425238036 /nfs/dbraw/zinc/23/80/36/1425238036.db2.gz BEIIVJRSDJGYJT-QUCCMNQESA-N 2 2 389.902 3.130 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000168597973 1425238046 /nfs/dbraw/zinc/23/80/46/1425238046.db2.gz BEIIVJRSDJGYJT-QUCCMNQESA-N 2 2 389.902 3.130 20 0 GGADLP [NH3+][C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000168949966 1425240616 /nfs/dbraw/zinc/24/06/16/1425240616.db2.gz GAVXOSDHSVOHKH-ZWKOTPCHSA-N 2 2 377.410 3.096 20 0 GGADLP [NH3+][C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000168949966 1425240622 /nfs/dbraw/zinc/24/06/22/1425240622.db2.gz GAVXOSDHSVOHKH-ZWKOTPCHSA-N 2 2 377.410 3.096 20 0 GGADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000168929214 1425241337 /nfs/dbraw/zinc/24/13/37/1425241337.db2.gz XUARKGIMQQBWIX-NRFANRHFSA-N 2 2 379.976 3.087 20 0 GGADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)CC1 ZINC000168929125 1425241396 /nfs/dbraw/zinc/24/13/96/1425241396.db2.gz XUARKGIMQQBWIX-OAQYLSRUSA-N 2 2 379.976 3.087 20 0 GGADLP CC[NH+](CC)CCCCNC(=O)c1c2ccccc2nc2c1C[N@H+](CC)CC2 ZINC000170564911 1425264870 /nfs/dbraw/zinc/26/48/70/1425264870.db2.gz VCVGFDOCJWTCMP-UHFFFAOYSA-N 2 2 382.552 3.465 20 0 GGADLP CC[NH+](CC)CCCCNC(=O)c1c2ccccc2nc2c1C[N@@H+](CC)CC2 ZINC000170564911 1425264875 /nfs/dbraw/zinc/26/48/75/1425264875.db2.gz VCVGFDOCJWTCMP-UHFFFAOYSA-N 2 2 382.552 3.465 20 0 GGADLP C[C@@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000170887689 1425381564 /nfs/dbraw/zinc/38/15/64/1425381564.db2.gz RSAYJDZDFRWSPU-WOJBJXKFSA-N 2 2 395.547 3.158 20 0 GGADLP C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H](C)[NH+]1CCOCC1 ZINC000170887689 1425381570 /nfs/dbraw/zinc/38/15/70/1425381570.db2.gz RSAYJDZDFRWSPU-WOJBJXKFSA-N 2 2 395.547 3.158 20 0 GGADLP C[C@H]([NH2+][C@H](c1ccccc1)C1CCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000170919580 1425393734 /nfs/dbraw/zinc/39/37/34/1425393734.db2.gz KKIYLVFMICHREC-PGRDOPGGSA-N 2 2 378.520 3.250 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000171308864 1425607632 /nfs/dbraw/zinc/60/76/32/1425607632.db2.gz XGJDHXCAEACXAX-UHFFFAOYSA-N 2 2 395.551 3.437 20 0 GGADLP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000171308864 1425607636 /nfs/dbraw/zinc/60/76/36/1425607636.db2.gz XGJDHXCAEACXAX-UHFFFAOYSA-N 2 2 395.551 3.437 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccccc3F)C3CC3)CC2)CC1 ZINC000171323032 1425616771 /nfs/dbraw/zinc/61/67/71/1425616771.db2.gz AHHNPDGBMYFXLA-UHFFFAOYSA-N 2 2 388.531 3.058 20 0 GGADLP CC(=O)c1ccccc1OCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000171743100 1425809290 /nfs/dbraw/zinc/80/92/90/1425809290.db2.gz XDCNSDUAVHNOGA-UHFFFAOYSA-N 2 2 395.547 3.018 20 0 GGADLP CC(=O)c1ccccc1OCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000171743100 1425809293 /nfs/dbraw/zinc/80/92/93/1425809293.db2.gz XDCNSDUAVHNOGA-UHFFFAOYSA-N 2 2 395.547 3.018 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000171909237 1425849782 /nfs/dbraw/zinc/84/97/82/1425849782.db2.gz CBYNRXVTCFMGCW-QGZVFWFLSA-N 2 2 384.524 3.369 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1C ZINC000171909237 1425849787 /nfs/dbraw/zinc/84/97/87/1425849787.db2.gz CBYNRXVTCFMGCW-QGZVFWFLSA-N 2 2 384.524 3.369 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000172111595 1425899306 /nfs/dbraw/zinc/89/93/06/1425899306.db2.gz VUHMJMMVUULNBF-QFIPXVFZSA-N 2 2 392.547 3.387 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCC[N@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000172111595 1425899309 /nfs/dbraw/zinc/89/93/09/1425899309.db2.gz VUHMJMMVUULNBF-QFIPXVFZSA-N 2 2 392.547 3.387 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000172111599 1425899449 /nfs/dbraw/zinc/89/94/49/1425899449.db2.gz VUHMJMMVUULNBF-JOCHJYFZSA-N 2 2 392.547 3.387 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@H+]3Cc3ccccc3)CC2)[nH+]c1 ZINC000172111599 1425899450 /nfs/dbraw/zinc/89/94/50/1425899450.db2.gz VUHMJMMVUULNBF-JOCHJYFZSA-N 2 2 392.547 3.387 20 0 GGADLP CN(CCc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172148549 1425919928 /nfs/dbraw/zinc/91/99/28/1425919928.db2.gz RAEUHSXIESUZDA-UHFFFAOYSA-N 2 2 392.975 3.083 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)CCn2cnc3ccccc3c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000172574706 1426094825 /nfs/dbraw/zinc/09/48/25/1426094825.db2.gz UEWCYKXUWKBGEP-FPOVZHCZSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)CCn2cnc3ccccc3c2=O)CC[N@H+]1Cc1ccccc1 ZINC000172574706 1426094830 /nfs/dbraw/zinc/09/48/30/1426094830.db2.gz UEWCYKXUWKBGEP-FPOVZHCZSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@H]1C[C@@H]([N@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1Cc1ccccc1 ZINC000172574706 1426094836 /nfs/dbraw/zinc/09/48/36/1426094836.db2.gz UEWCYKXUWKBGEP-FPOVZHCZSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@H]1C[C@@H]([N@@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1Cc1ccccc1 ZINC000172574706 1426094841 /nfs/dbraw/zinc/09/48/41/1426094841.db2.gz UEWCYKXUWKBGEP-FPOVZHCZSA-N 2 2 390.531 3.381 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2nccn2C(F)F)CC1 ZINC000172629559 1426119106 /nfs/dbraw/zinc/11/91/06/1426119106.db2.gz ZOVXWHDTNDFXDQ-CQSZACIVSA-N 2 2 381.446 3.410 20 0 GGADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000172749734 1426172898 /nfs/dbraw/zinc/17/28/98/1426172898.db2.gz WSSIVUILFHSBER-OALUTQOASA-N 2 2 391.506 3.135 20 0 GGADLP C[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000172749727 1426172929 /nfs/dbraw/zinc/17/29/29/1426172929.db2.gz WSSIVUILFHSBER-MOPGFXCFSA-N 2 2 391.506 3.135 20 0 GGADLP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc2ccccc12 ZINC000172752146 1426173032 /nfs/dbraw/zinc/17/30/32/1426173032.db2.gz ZRUJSLDJTRLLBE-UHFFFAOYSA-N 2 2 380.536 3.223 20 0 GGADLP C[C@H](CCc1cccc(F)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172929705 1426269614 /nfs/dbraw/zinc/26/96/14/1426269614.db2.gz KWHVPBCDZFQYNB-QGZVFWFLSA-N 2 2 375.532 3.069 20 0 GGADLP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000173111478 1426347811 /nfs/dbraw/zinc/34/78/11/1426347811.db2.gz QWYQWSILPLBUNY-GOSISDBHSA-N 2 2 385.512 3.300 20 0 GGADLP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000173111478 1426347815 /nfs/dbraw/zinc/34/78/15/1426347815.db2.gz QWYQWSILPLBUNY-GOSISDBHSA-N 2 2 385.512 3.300 20 0 GGADLP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000173111487 1426347857 /nfs/dbraw/zinc/34/78/57/1426347857.db2.gz QWYQWSILPLBUNY-SFHVURJKSA-N 2 2 385.512 3.300 20 0 GGADLP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000173111487 1426347861 /nfs/dbraw/zinc/34/78/61/1426347861.db2.gz QWYQWSILPLBUNY-SFHVURJKSA-N 2 2 385.512 3.300 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000173112337 1426348604 /nfs/dbraw/zinc/34/86/04/1426348604.db2.gz AGYPXZKFZVYNPC-LJQANCHMSA-N 2 2 397.523 3.348 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000173112337 1426348607 /nfs/dbraw/zinc/34/86/07/1426348607.db2.gz AGYPXZKFZVYNPC-LJQANCHMSA-N 2 2 397.523 3.348 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173314397 1426498490 /nfs/dbraw/zinc/49/84/90/1426498490.db2.gz IEZWRIVSHSMRCD-QGZVFWFLSA-N 2 2 398.532 3.033 20 0 GGADLP CSc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000173366584 1426539793 /nfs/dbraw/zinc/53/97/93/1426539793.db2.gz DMHCONFYSNNRBF-KRWDZBQOSA-N 2 2 384.549 3.193 20 0 GGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000173623482 1426801558 /nfs/dbraw/zinc/80/15/58/1426801558.db2.gz DRQQSRWEIUBHAZ-KDURUIRLSA-N 2 2 398.551 3.176 20 0 GGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000173623482 1426801559 /nfs/dbraw/zinc/80/15/59/1426801559.db2.gz DRQQSRWEIUBHAZ-KDURUIRLSA-N 2 2 398.551 3.176 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000173695763 1426823915 /nfs/dbraw/zinc/82/39/15/1426823915.db2.gz OJZDYMGCYDVBBS-UHFFFAOYSA-N 2 2 376.545 3.354 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC(C)(C)C)cc1 ZINC000173695763 1426823916 /nfs/dbraw/zinc/82/39/16/1426823916.db2.gz OJZDYMGCYDVBBS-UHFFFAOYSA-N 2 2 376.545 3.354 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000173861233 1426873661 /nfs/dbraw/zinc/87/36/61/1426873661.db2.gz QTSVMEGWQGYPDG-IBGZPJMESA-N 2 2 387.572 3.204 20 0 GGADLP O=C1[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCN1c1ccccc1Cl ZINC000173949866 1426905578 /nfs/dbraw/zinc/90/55/78/1426905578.db2.gz OQCQQWITDLHZLA-HXUWFJFHSA-N 2 2 391.943 3.022 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000173962582 1426911870 /nfs/dbraw/zinc/91/18/70/1426911870.db2.gz HCNZUPYXKKIGRT-QGZVFWFLSA-N 2 2 377.504 3.038 20 0 GGADLP CC[N@@H+](CC(=O)Nc1cccc(C(C)=O)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971891 1426916970 /nfs/dbraw/zinc/91/69/70/1426916970.db2.gz ADHYQXZXYJNCFD-UHFFFAOYSA-N 2 2 394.519 3.461 20 0 GGADLP CC[N@H+](CC(=O)Nc1cccc(C(C)=O)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971891 1426916976 /nfs/dbraw/zinc/91/69/76/1426916976.db2.gz ADHYQXZXYJNCFD-UHFFFAOYSA-N 2 2 394.519 3.461 20 0 GGADLP CC[N@@H+](CC(=O)Nc1ccc(C(C)=O)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971656 1426917011 /nfs/dbraw/zinc/91/70/11/1426917011.db2.gz QITJAVWPVUXCNG-UHFFFAOYSA-N 2 2 394.519 3.461 20 0 GGADLP CC[N@H+](CC(=O)Nc1ccc(C(C)=O)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971656 1426917014 /nfs/dbraw/zinc/91/70/14/1426917014.db2.gz QITJAVWPVUXCNG-UHFFFAOYSA-N 2 2 394.519 3.461 20 0 GGADLP CC[N@@H+](CC(=O)Nc1cccnc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972501 1426917808 /nfs/dbraw/zinc/91/78/08/1426917808.db2.gz CPWJGMMHWLUEGR-UHFFFAOYSA-N 2 2 387.915 3.307 20 0 GGADLP CC[N@H+](CC(=O)Nc1cccnc1Cl)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972501 1426917813 /nfs/dbraw/zinc/91/78/13/1426917813.db2.gz CPWJGMMHWLUEGR-UHFFFAOYSA-N 2 2 387.915 3.307 20 0 GGADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973207 1426918026 /nfs/dbraw/zinc/91/80/26/1426918026.db2.gz PFICULWNVAKTTQ-RXVVDRJESA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973207 1426918045 /nfs/dbraw/zinc/91/80/45/1426918045.db2.gz PFICULWNVAKTTQ-RXVVDRJESA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173973207 1426918052 /nfs/dbraw/zinc/91/80/52/1426918052.db2.gz PFICULWNVAKTTQ-RXVVDRJESA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173973207 1426918057 /nfs/dbraw/zinc/91/80/57/1426918057.db2.gz PFICULWNVAKTTQ-RXVVDRJESA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174044218 1426967109 /nfs/dbraw/zinc/96/71/09/1426967109.db2.gz KFGMNUCLQYGNJU-WIYYLYMNSA-N 2 2 396.510 3.343 20 0 GGADLP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174044218 1426967114 /nfs/dbraw/zinc/96/71/14/1426967114.db2.gz KFGMNUCLQYGNJU-WIYYLYMNSA-N 2 2 396.510 3.343 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000174115184 1427008699 /nfs/dbraw/zinc/00/86/99/1427008699.db2.gz URIBPKBSASWMMK-IBGZPJMESA-N 2 2 387.572 3.061 20 0 GGADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000174155340 1427024067 /nfs/dbraw/zinc/02/40/67/1427024067.db2.gz JMJKMXSQMQFYKK-OAQYLSRUSA-N 2 2 381.451 3.367 20 0 GGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000174155340 1427024079 /nfs/dbraw/zinc/02/40/79/1427024079.db2.gz JMJKMXSQMQFYKK-OAQYLSRUSA-N 2 2 381.451 3.367 20 0 GGADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174185811 1427038779 /nfs/dbraw/zinc/03/87/79/1427038779.db2.gz QXSHGTFQVHPILP-FXAWDEMLSA-N 2 2 381.524 3.497 20 0 GGADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174185811 1427038786 /nfs/dbraw/zinc/03/87/86/1427038786.db2.gz QXSHGTFQVHPILP-FXAWDEMLSA-N 2 2 381.524 3.497 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000174190090 1427041170 /nfs/dbraw/zinc/04/11/70/1427041170.db2.gz ZHCBTPUGRIHVOO-UHFFFAOYSA-N 2 2 397.485 3.304 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(C(F)(F)F)CC2)CC1 ZINC000174190090 1427041172 /nfs/dbraw/zinc/04/11/72/1427041172.db2.gz ZHCBTPUGRIHVOO-UHFFFAOYSA-N 2 2 397.485 3.304 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000174218472 1427056080 /nfs/dbraw/zinc/05/60/80/1427056080.db2.gz SLXUSJOVPSOBGY-HSZRJFAPSA-N 2 2 392.547 3.331 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000174302259 1427092378 /nfs/dbraw/zinc/09/23/78/1427092378.db2.gz SNNDBTDISQAXRD-ZWKOTPCHSA-N 2 2 383.536 3.106 20 0 GGADLP CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000174341097 1427110198 /nfs/dbraw/zinc/11/01/98/1427110198.db2.gz AXNKCHVLYJSTGG-VQTJNVASSA-N 2 2 391.581 3.063 20 0 GGADLP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000174341097 1427110202 /nfs/dbraw/zinc/11/02/02/1427110202.db2.gz AXNKCHVLYJSTGG-VQTJNVASSA-N 2 2 391.581 3.063 20 0 GGADLP CC[N@@H+](CC(=O)N(C)Cc1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390385 1427134652 /nfs/dbraw/zinc/13/46/52/1427134652.db2.gz HZSWKTRMXALADE-UHFFFAOYSA-N 2 2 386.565 3.340 20 0 GGADLP CC[N@H+](CC(=O)N(C)Cc1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390385 1427134657 /nfs/dbraw/zinc/13/46/57/1427134657.db2.gz HZSWKTRMXALADE-UHFFFAOYSA-N 2 2 386.565 3.340 20 0 GGADLP CC[N@@H+](CC(=O)NCc1ccc(C)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393011 1427135295 /nfs/dbraw/zinc/13/52/95/1427135295.db2.gz WVHJKHQOFCSVQS-UHFFFAOYSA-N 2 2 398.526 3.384 20 0 GGADLP CC[N@H+](CC(=O)NCc1ccc(C)c(F)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393011 1427135305 /nfs/dbraw/zinc/13/53/05/1427135305.db2.gz WVHJKHQOFCSVQS-UHFFFAOYSA-N 2 2 398.526 3.384 20 0 GGADLP Cc1ccccc1CN(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404410 1427143227 /nfs/dbraw/zinc/14/32/27/1427143227.db2.gz VPQBGHHCAYSWSP-JOCHJYFZSA-N 2 2 379.548 3.407 20 0 GGADLP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404410 1427143235 /nfs/dbraw/zinc/14/32/35/1427143235.db2.gz VPQBGHHCAYSWSP-JOCHJYFZSA-N 2 2 379.548 3.407 20 0 GGADLP Cc1ccccc1CN(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404410 1427143248 /nfs/dbraw/zinc/14/32/48/1427143248.db2.gz VPQBGHHCAYSWSP-JOCHJYFZSA-N 2 2 379.548 3.407 20 0 GGADLP Cc1ccccc1CN(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404410 1427143257 /nfs/dbraw/zinc/14/32/57/1427143257.db2.gz VPQBGHHCAYSWSP-JOCHJYFZSA-N 2 2 379.548 3.407 20 0 GGADLP C[N@H+](CCN1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000174780237 1427362660 /nfs/dbraw/zinc/36/26/60/1427362660.db2.gz WMKKQKMGSKQECT-JOCHJYFZSA-N 2 2 387.955 3.123 20 0 GGADLP C[N@@H+](CCN1CC[NH+](C[C@@H](O)c2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000174780237 1427362664 /nfs/dbraw/zinc/36/26/64/1427362664.db2.gz WMKKQKMGSKQECT-JOCHJYFZSA-N 2 2 387.955 3.123 20 0 GGADLP C[NH+]1CCC(CNC(=O)NCCc2cc3ccccc3o2)([NH+]2CCCCC2)CC1 ZINC000175200542 1427595590 /nfs/dbraw/zinc/59/55/90/1427595590.db2.gz QGVSTNFJNSHIDI-UHFFFAOYSA-N 2 2 398.551 3.225 20 0 GGADLP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000175212655 1427604209 /nfs/dbraw/zinc/60/42/09/1427604209.db2.gz AXWDNDBBCYFFGM-GGPKGHCWSA-N 2 2 388.556 3.244 20 0 GGADLP Cc1cnc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000175238190 1427619617 /nfs/dbraw/zinc/61/96/17/1427619617.db2.gz PRQFKOAOWFMUBC-DLBZAZTESA-N 2 2 386.565 3.271 20 0 GGADLP C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000175409806 1427739456 /nfs/dbraw/zinc/73/94/56/1427739456.db2.gz HKKNECGSWKWVFX-XMSQKQJNSA-N 2 2 384.568 3.133 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175472498 1427773189 /nfs/dbraw/zinc/77/31/89/1427773189.db2.gz SHZSYKVOUIEZAU-UHFFFAOYSA-N 2 2 392.519 3.247 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000175472498 1427773194 /nfs/dbraw/zinc/77/31/94/1427773194.db2.gz SHZSYKVOUIEZAU-UHFFFAOYSA-N 2 2 392.519 3.247 20 0 GGADLP C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000175657888 1427847008 /nfs/dbraw/zinc/84/70/08/1427847008.db2.gz OJASCJLAASLOHQ-HRAATJIYSA-N 2 2 390.547 3.117 20 0 GGADLP C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000175657888 1427847011 /nfs/dbraw/zinc/84/70/11/1427847011.db2.gz OJASCJLAASLOHQ-HRAATJIYSA-N 2 2 390.547 3.117 20 0 GGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000175657909 1427847188 /nfs/dbraw/zinc/84/71/88/1427847188.db2.gz OJASCJLAASLOHQ-IERDGZPVSA-N 2 2 390.547 3.117 20 0 GGADLP C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000175657909 1427847191 /nfs/dbraw/zinc/84/71/91/1427847191.db2.gz OJASCJLAASLOHQ-IERDGZPVSA-N 2 2 390.547 3.117 20 0 GGADLP CCC[N@H+](CC)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175735783 1427874119 /nfs/dbraw/zinc/87/41/19/1427874119.db2.gz ANPRLNVCANKNRH-HDICACEKSA-N 2 2 376.545 3.149 20 0 GGADLP CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175735783 1427874121 /nfs/dbraw/zinc/87/41/21/1427874121.db2.gz ANPRLNVCANKNRH-HDICACEKSA-N 2 2 376.545 3.149 20 0 GGADLP CCC[NH+](CC)CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175735783 1427874123 /nfs/dbraw/zinc/87/41/23/1427874123.db2.gz ANPRLNVCANKNRH-HDICACEKSA-N 2 2 376.545 3.149 20 0 GGADLP CCC[NH+](CC)CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175735783 1427874128 /nfs/dbraw/zinc/87/41/28/1427874128.db2.gz ANPRLNVCANKNRH-HDICACEKSA-N 2 2 376.545 3.149 20 0 GGADLP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000175841526 1427924102 /nfs/dbraw/zinc/92/41/02/1427924102.db2.gz PKIUOFAPZSPTTD-UHFFFAOYSA-N 2 2 381.524 3.190 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175898257 1427958260 /nfs/dbraw/zinc/95/82/60/1427958260.db2.gz VWEUDWJERYUEIT-GOSISDBHSA-N 2 2 385.487 3.075 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000175898257 1427958265 /nfs/dbraw/zinc/95/82/65/1427958265.db2.gz VWEUDWJERYUEIT-GOSISDBHSA-N 2 2 385.487 3.075 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)c1C ZINC000175951743 1427993253 /nfs/dbraw/zinc/99/32/53/1427993253.db2.gz GDAAIQXCRVDMFT-UHFFFAOYSA-N 2 2 388.487 3.120 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1C ZINC000175951743 1427993258 /nfs/dbraw/zinc/99/32/58/1427993258.db2.gz GDAAIQXCRVDMFT-UHFFFAOYSA-N 2 2 388.487 3.120 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(C(F)(F)F)c3F)CC2)CC1 ZINC000176034958 1428038666 /nfs/dbraw/zinc/03/86/66/1428038666.db2.gz NFKRSFYZFQHIIV-UHFFFAOYSA-N 2 2 387.421 3.133 20 0 GGADLP Cc1c[nH+]c(NC2CC[NH+](CC3CC3)CC2)nc1NC1CC[NH+](CC2CC2)CC1 ZINC000176237665 1428185678 /nfs/dbraw/zinc/18/56/78/1428185678.db2.gz NJGJPKYILDEVOM-UHFFFAOYSA-N 3 2 398.599 3.358 20 0 GGADLP c1ccc([C@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C2CC2)cc1 ZINC000180174018 1429780383 /nfs/dbraw/zinc/78/03/83/1429780383.db2.gz HTAKMUACJQBHCF-OFNKIYASSA-N 2 2 393.535 3.023 20 0 GGADLP COc1cc([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)ccc1S(=O)(=O)C(F)F ZINC000180403816 1429858759 /nfs/dbraw/zinc/85/87/59/1429858759.db2.gz XJOAXJNNMOKVFX-ZDUSSCGKSA-N 2 2 390.496 3.215 20 0 GGADLP CCc1cc(N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)nc(C)[nH+]1 ZINC000180422536 1429865071 /nfs/dbraw/zinc/86/50/71/1429865071.db2.gz QTDCDVQRRAZNCR-UHFFFAOYSA-N 2 2 398.536 3.214 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000180483519 1429880012 /nfs/dbraw/zinc/88/00/12/1429880012.db2.gz RWPUTBGQPIYBMI-LAUBAEHRSA-N 2 2 396.572 3.139 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000180483540 1429880074 /nfs/dbraw/zinc/88/00/74/1429880074.db2.gz RWPUTBGQPIYBMI-UTKZUKDTSA-N 2 2 396.572 3.139 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000180503915 1429884491 /nfs/dbraw/zinc/88/44/91/1429884491.db2.gz CZXYFUBFMHPIIP-QGZVFWFLSA-N 2 2 396.572 3.139 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000180503915 1429884492 /nfs/dbraw/zinc/88/44/92/1429884492.db2.gz CZXYFUBFMHPIIP-QGZVFWFLSA-N 2 2 396.572 3.139 20 0 GGADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000180642280 1429949939 /nfs/dbraw/zinc/94/99/39/1429949939.db2.gz ZXMDNUIHTOSDSN-DBXWQHBBSA-N 2 2 388.556 3.100 20 0 GGADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000180642280 1429949942 /nfs/dbraw/zinc/94/99/42/1429949942.db2.gz ZXMDNUIHTOSDSN-DBXWQHBBSA-N 2 2 388.556 3.100 20 0 GGADLP CC[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000180773197 1430031901 /nfs/dbraw/zinc/03/19/01/1430031901.db2.gz LDFPOUSLZJGKHV-JOCHJYFZSA-N 2 2 397.519 3.207 20 0 GGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(C)c1 ZINC000180779531 1430034231 /nfs/dbraw/zinc/03/42/31/1430034231.db2.gz FZMAFWRCHAPXSR-VQTJNVASSA-N 2 2 395.551 3.250 20 0 GGADLP CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccs1 ZINC000180779898 1430034376 /nfs/dbraw/zinc/03/43/76/1430034376.db2.gz IMQIEURLNXISDV-DLBZAZTESA-N 2 2 387.553 3.084 20 0 GGADLP CCC[C@H](C)[C@@H](CC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180781164 1430035137 /nfs/dbraw/zinc/03/51/37/1430035137.db2.gz QNKAMZCZEIUQDG-IPMKNSEASA-N 2 2 375.561 3.086 20 0 GGADLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C ZINC000180782596 1430036722 /nfs/dbraw/zinc/03/67/22/1430036722.db2.gz NVOSQKRUNXDSRP-PZJWPPBQSA-N 2 2 395.551 3.250 20 0 GGADLP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1C ZINC000180785488 1430038675 /nfs/dbraw/zinc/03/86/75/1430038675.db2.gz IDDBIOVUYKPGRK-WOJBJXKFSA-N 2 2 395.551 3.250 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000180792182 1430042018 /nfs/dbraw/zinc/04/20/18/1430042018.db2.gz CEWSBENCMZWMSZ-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000180792182 1430042028 /nfs/dbraw/zinc/04/20/28/1430042028.db2.gz CEWSBENCMZWMSZ-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000180792182 1430042042 /nfs/dbraw/zinc/04/20/42/1430042042.db2.gz CEWSBENCMZWMSZ-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3cccnc3)CC2)cc1 ZINC000180792182 1430042049 /nfs/dbraw/zinc/04/20/49/1430042049.db2.gz CEWSBENCMZWMSZ-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Oc1c(Br)cccc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180796624 1430045630 /nfs/dbraw/zinc/04/56/30/1430045630.db2.gz BPFKZBBKCMHROL-UHFFFAOYSA-N 2 2 397.357 3.479 20 0 GGADLP CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1F ZINC000180888107 1430091526 /nfs/dbraw/zinc/09/15/26/1430091526.db2.gz KGXACGHPZQCGLQ-YLJYHZDGSA-N 2 2 399.514 3.162 20 0 GGADLP CC(C)c1ccc(-c2noc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)n2)cc1 ZINC000180926445 1430119278 /nfs/dbraw/zinc/11/92/78/1430119278.db2.gz UPNWLDNRQBMTTI-UHFFFAOYSA-N 2 2 385.556 3.318 20 0 GGADLP CC(C)c1ccc(-c2noc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)n2)cc1 ZINC000180926445 1430119287 /nfs/dbraw/zinc/11/92/87/1430119287.db2.gz UPNWLDNRQBMTTI-UHFFFAOYSA-N 2 2 385.556 3.318 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2c(F)cccc2F)n1 ZINC000180951100 1430131132 /nfs/dbraw/zinc/13/11/32/1430131132.db2.gz QDTOALPPPGQJPK-UHFFFAOYSA-N 2 2 378.467 3.078 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2c(F)cccc2F)n1 ZINC000180951100 1430131142 /nfs/dbraw/zinc/13/11/42/1430131142.db2.gz QDTOALPPPGQJPK-UHFFFAOYSA-N 2 2 378.467 3.078 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000181055525 1430189509 /nfs/dbraw/zinc/18/95/09/1430189509.db2.gz NFOKOSIWJZJTQN-JOCHJYFZSA-N 2 2 376.504 3.305 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000181055525 1430189516 /nfs/dbraw/zinc/18/95/16/1430189516.db2.gz NFOKOSIWJZJTQN-JOCHJYFZSA-N 2 2 376.504 3.305 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C)C1 ZINC000181089977 1430206374 /nfs/dbraw/zinc/20/63/74/1430206374.db2.gz VVMPDEIRSNANOH-LSTHTHJFSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C)C1 ZINC000181089977 1430206389 /nfs/dbraw/zinc/20/63/89/1430206389.db2.gz VVMPDEIRSNANOH-LSTHTHJFSA-N 2 2 393.959 3.172 20 0 GGADLP Cc1ccc(CCC2CCN(C(=O)C[N@H+](C)CCCn3cc[nH+]c3)CC2)cc1 ZINC000181094967 1430207808 /nfs/dbraw/zinc/20/78/08/1430207808.db2.gz SGULSJSLIDFDJX-UHFFFAOYSA-N 2 2 382.552 3.385 20 0 GGADLP Cc1ccc(CCC2CCN(C(=O)C[N@@H+](C)CCCn3cc[nH+]c3)CC2)cc1 ZINC000181094967 1430207811 /nfs/dbraw/zinc/20/78/11/1430207811.db2.gz SGULSJSLIDFDJX-UHFFFAOYSA-N 2 2 382.552 3.385 20 0 GGADLP COc1ccc(-c2nc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3)sc2C)cc1 ZINC000181095976 1430208670 /nfs/dbraw/zinc/20/86/70/1430208670.db2.gz ZDIBSLGKHSLDSS-UHFFFAOYSA-N 2 2 399.520 3.284 20 0 GGADLP COc1ccc(-c2nc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3)sc2C)cc1 ZINC000181095976 1430208675 /nfs/dbraw/zinc/20/86/75/1430208675.db2.gz ZDIBSLGKHSLDSS-UHFFFAOYSA-N 2 2 399.520 3.284 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000181105793 1430211815 /nfs/dbraw/zinc/21/18/15/1430211815.db2.gz HOPOEPXWURAMTR-KRWDZBQOSA-N 2 2 384.524 3.155 20 0 GGADLP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000181264829 1430258839 /nfs/dbraw/zinc/25/88/39/1430258839.db2.gz WFHKHXGYBYVXAH-MBSDFSHPSA-N 2 2 399.535 3.368 20 0 GGADLP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000181264829 1430258842 /nfs/dbraw/zinc/25/88/42/1430258842.db2.gz WFHKHXGYBYVXAH-MBSDFSHPSA-N 2 2 399.535 3.368 20 0 GGADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000181318085 1430271707 /nfs/dbraw/zinc/27/17/07/1430271707.db2.gz NOPLBEZFGQSIMD-LJQANCHMSA-N 2 2 391.519 3.251 20 0 GGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000181318085 1430271710 /nfs/dbraw/zinc/27/17/10/1430271710.db2.gz NOPLBEZFGQSIMD-LJQANCHMSA-N 2 2 391.519 3.251 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000181326772 1430273543 /nfs/dbraw/zinc/27/35/43/1430273543.db2.gz IWEPWFMCNRLJAX-YJBOKZPZSA-N 2 2 394.441 3.374 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000181326772 1430273547 /nfs/dbraw/zinc/27/35/47/1430273547.db2.gz IWEPWFMCNRLJAX-YJBOKZPZSA-N 2 2 394.441 3.374 20 0 GGADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000181333183 1430275207 /nfs/dbraw/zinc/27/52/07/1430275207.db2.gz UXTRGZBVFFYAET-LJQANCHMSA-N 2 2 391.519 3.251 20 0 GGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000181333183 1430275208 /nfs/dbraw/zinc/27/52/08/1430275208.db2.gz UXTRGZBVFFYAET-LJQANCHMSA-N 2 2 391.519 3.251 20 0 GGADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccnc1 ZINC000181374839 1430284108 /nfs/dbraw/zinc/28/41/08/1430284108.db2.gz PDPRDOAPVMJTIJ-LJQANCHMSA-N 2 2 388.515 3.230 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)C[C@H](C)O1 ZINC000181415861 1430292862 /nfs/dbraw/zinc/29/28/62/1430292862.db2.gz IMZONLLDHVBRGV-CALCHBBNSA-N 2 2 387.572 3.202 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)C[C@H](C)O1 ZINC000181415861 1430292865 /nfs/dbraw/zinc/29/28/65/1430292865.db2.gz IMZONLLDHVBRGV-CALCHBBNSA-N 2 2 387.572 3.202 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000181443618 1430300700 /nfs/dbraw/zinc/30/07/00/1430300700.db2.gz TVMABOCIWLEJBA-NRFANRHFSA-N 2 2 386.540 3.273 20 0 GGADLP C[N@H+](CCC(=O)OCc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000181472267 1430306624 /nfs/dbraw/zinc/30/66/24/1430306624.db2.gz IABTYKHSMPPPBF-UHFFFAOYSA-N 2 2 381.520 3.154 20 0 GGADLP C[N@@H+](CCC(=O)OCc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000181472267 1430306630 /nfs/dbraw/zinc/30/66/30/1430306630.db2.gz IABTYKHSMPPPBF-UHFFFAOYSA-N 2 2 381.520 3.154 20 0 GGADLP O=C(C[NH2+][C@@H](Cc1ccccc1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000181548541 1430318637 /nfs/dbraw/zinc/31/86/37/1430318637.db2.gz MIOUECQXZRSKAE-QHCPKHFHSA-N 2 2 393.531 3.068 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000181588955 1430324158 /nfs/dbraw/zinc/32/41/58/1430324158.db2.gz QHRSXUPTWQWSJT-IAGOWNOFSA-N 2 2 387.549 3.361 20 0 GGADLP COc1cccc2cc([C@@H](C)[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)oc21 ZINC000181592529 1430324635 /nfs/dbraw/zinc/32/46/35/1430324635.db2.gz HJNBHTBVWPIOEJ-MRXNPFEDSA-N 2 2 380.492 3.439 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(C(=O)OC)co2)CC1 ZINC000181643229 1430333744 /nfs/dbraw/zinc/33/37/44/1430333744.db2.gz MKYLKMNOIVGUKT-HNNXBMFYSA-N 2 2 389.471 3.198 20 0 GGADLP CCCn1c(C)nnc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181644112 1430333807 /nfs/dbraw/zinc/33/38/07/1430333807.db2.gz NXJCUDFGLKALOG-MRXNPFEDSA-N 2 2 388.535 3.128 20 0 GGADLP CCN(CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000181661644 1430337447 /nfs/dbraw/zinc/33/74/47/1430337447.db2.gz WKWJFHGGMYBWSU-UHFFFAOYSA-N 2 2 386.540 3.369 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)(C)c1ccccc1 ZINC000181784134 1430359288 /nfs/dbraw/zinc/35/92/88/1430359288.db2.gz XRPPTLGGBFWGKF-LJQANCHMSA-N 2 2 395.547 3.413 20 0 GGADLP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccn1 ZINC000181813243 1430365947 /nfs/dbraw/zinc/36/59/47/1430365947.db2.gz PEBQOJKISYZBSU-UZLBHIALSA-N 2 2 386.927 3.339 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182268552 1430439989 /nfs/dbraw/zinc/43/99/89/1430439989.db2.gz QGLUALXMFYLDRM-JPYJTQIMSA-N 3 2 376.504 3.290 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182268552 1430439990 /nfs/dbraw/zinc/43/99/90/1430439990.db2.gz QGLUALXMFYLDRM-JPYJTQIMSA-N 3 2 376.504 3.290 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000182293163 1430443687 /nfs/dbraw/zinc/44/36/87/1430443687.db2.gz SJOFHFUIELYDPP-CVEARBPZSA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000182293163 1430443688 /nfs/dbraw/zinc/44/36/88/1430443688.db2.gz SJOFHFUIELYDPP-CVEARBPZSA-N 2 2 397.441 3.133 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000182330943 1430449646 /nfs/dbraw/zinc/44/96/46/1430449646.db2.gz VTWAUUREWQWVPP-IBGZPJMESA-N 2 2 397.922 3.063 20 0 GGADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182387690 1430457424 /nfs/dbraw/zinc/45/74/24/1430457424.db2.gz PZFLRXQJWJPLBD-PKOBYXMFSA-N 2 2 385.556 3.134 20 0 GGADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182387690 1430457426 /nfs/dbraw/zinc/45/74/26/1430457426.db2.gz PZFLRXQJWJPLBD-PKOBYXMFSA-N 2 2 385.556 3.134 20 0 GGADLP C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182395420 1430459035 /nfs/dbraw/zinc/45/90/35/1430459035.db2.gz XKVJAEIFMBQXDF-NQIIRXRSSA-N 2 2 395.551 3.384 20 0 GGADLP C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182395420 1430459037 /nfs/dbraw/zinc/45/90/37/1430459037.db2.gz XKVJAEIFMBQXDF-NQIIRXRSSA-N 2 2 395.551 3.384 20 0 GGADLP C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182558738 1430491694 /nfs/dbraw/zinc/49/16/94/1430491694.db2.gz RNAOTQMKUFDYSH-PKOBYXMFSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182558738 1430491700 /nfs/dbraw/zinc/49/17/00/1430491700.db2.gz RNAOTQMKUFDYSH-PKOBYXMFSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182561166 1430492307 /nfs/dbraw/zinc/49/23/07/1430492307.db2.gz WHCFKBPNIWUQBY-SJLPKXTDSA-N 2 2 399.514 3.464 20 0 GGADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182561166 1430492313 /nfs/dbraw/zinc/49/23/13/1430492313.db2.gz WHCFKBPNIWUQBY-SJLPKXTDSA-N 2 2 399.514 3.464 20 0 GGADLP CC(C)OCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182775871 1430537908 /nfs/dbraw/zinc/53/79/08/1430537908.db2.gz UCAQGKODYVEJJN-LEWJYISDSA-N 2 2 396.620 3.170 20 0 GGADLP CC(C)OCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182775871 1430537911 /nfs/dbraw/zinc/53/79/11/1430537911.db2.gz UCAQGKODYVEJJN-LEWJYISDSA-N 2 2 396.620 3.170 20 0 GGADLP O=S1(=O)CCC[C@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000182810111 1430544275 /nfs/dbraw/zinc/54/42/75/1430544275.db2.gz FZTXNAGWPVHTSV-NRFANRHFSA-N 2 2 395.528 3.265 20 0 GGADLP O=S1(=O)CCC[C@@H]([NH2+]Cc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000182810096 1430544319 /nfs/dbraw/zinc/54/43/19/1430544319.db2.gz FZTXNAGWPVHTSV-OAQYLSRUSA-N 2 2 395.528 3.265 20 0 GGADLP Cc1cc(C)cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000182903732 1430567486 /nfs/dbraw/zinc/56/74/86/1430567486.db2.gz AHMVELWMEUNNDY-LJQANCHMSA-N 2 2 381.520 3.425 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000182960251 1430580598 /nfs/dbraw/zinc/58/05/98/1430580598.db2.gz RXDBOAAKYDKLQX-UHFFFAOYSA-N 2 2 393.959 3.411 20 0 GGADLP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182962004 1430581166 /nfs/dbraw/zinc/58/11/66/1430581166.db2.gz OEAPELRMMSRXKD-MRXNPFEDSA-N 2 2 395.494 3.116 20 0 GGADLP c1csc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)c1 ZINC000182968765 1430582653 /nfs/dbraw/zinc/58/26/53/1430582653.db2.gz YRKXSYYQEILIGI-UHFFFAOYSA-N 2 2 376.526 3.123 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182980769 1430584602 /nfs/dbraw/zinc/58/46/02/1430584602.db2.gz UUJHRJSWGKONMT-INIZCTEOSA-N 2 2 395.494 3.116 20 0 GGADLP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182983934 1430585182 /nfs/dbraw/zinc/58/51/82/1430585182.db2.gz GCPGYQMKUPYAOC-IBGZPJMESA-N 2 2 383.540 3.153 20 0 GGADLP CSc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000182989951 1430586839 /nfs/dbraw/zinc/58/68/39/1430586839.db2.gz NRYWYQZFZQHEQU-UHFFFAOYSA-N 2 2 391.581 3.171 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ncnn2CC(C)C)CC1 ZINC000183104099 1430614570 /nfs/dbraw/zinc/61/45/70/1430614570.db2.gz UXUWXBLFAGHPRH-QGZVFWFLSA-N 2 2 388.535 3.066 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000183143789 1430627867 /nfs/dbraw/zinc/62/78/67/1430627867.db2.gz DYZYZIYYDDIPMO-HXUWFJFHSA-N 2 2 383.540 3.280 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000183143789 1430627876 /nfs/dbraw/zinc/62/78/76/1430627876.db2.gz DYZYZIYYDDIPMO-HXUWFJFHSA-N 2 2 383.540 3.280 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000183143789 1430627884 /nfs/dbraw/zinc/62/78/84/1430627884.db2.gz DYZYZIYYDDIPMO-HXUWFJFHSA-N 2 2 383.540 3.280 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000183143789 1430627890 /nfs/dbraw/zinc/62/78/90/1430627890.db2.gz DYZYZIYYDDIPMO-HXUWFJFHSA-N 2 2 383.540 3.280 20 0 GGADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183258963 1430662145 /nfs/dbraw/zinc/66/21/45/1430662145.db2.gz YFSPDTMYKXUXKB-DLBZAZTESA-N 2 2 382.570 3.155 20 0 GGADLP COc1cccc([C@@H]2[C@H](NC(=O)C[NH+](C)Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000183272757 1430667099 /nfs/dbraw/zinc/66/70/99/1430667099.db2.gz FHBFBMBWQLSMOU-ISKFKSNPSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@@H]2[C@H](NC(=O)C[NH+](C)Cc3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000183272757 1430667102 /nfs/dbraw/zinc/66/71/02/1430667102.db2.gz FHBFBMBWQLSMOU-ISKFKSNPSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@@H]2[C@H](NC(=O)C[N@H+](C)Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000183272757 1430667108 /nfs/dbraw/zinc/66/71/08/1430667108.db2.gz FHBFBMBWQLSMOU-ISKFKSNPSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@@H]2[C@H](NC(=O)C[N@@H+](C)Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000183272757 1430667111 /nfs/dbraw/zinc/66/71/11/1430667111.db2.gz FHBFBMBWQLSMOU-ISKFKSNPSA-N 2 2 393.531 3.221 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)cn2)CC1 ZINC000183335113 1430681505 /nfs/dbraw/zinc/68/15/05/1430681505.db2.gz FPQZWCDHYMWFCG-QHCPKHFHSA-N 2 2 391.494 3.247 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)cn2)CC1 ZINC000183335132 1430681560 /nfs/dbraw/zinc/68/15/60/1430681560.db2.gz FPQZWCDHYMWFCG-HSZRJFAPSA-N 2 2 391.494 3.247 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cn3)ccn2)CC1 ZINC000183363896 1430690303 /nfs/dbraw/zinc/69/03/03/1430690303.db2.gz FDPRBUCQKNTXBD-HSZRJFAPSA-N 2 2 391.494 3.247 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccccc2C)cn1 ZINC000183378562 1430695105 /nfs/dbraw/zinc/69/51/05/1430695105.db2.gz UMVXUSKUSUXPEF-QFIPXVFZSA-N 2 2 391.519 3.047 20 0 GGADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000183405343 1430703144 /nfs/dbraw/zinc/70/31/44/1430703144.db2.gz UCKTZSHENCHLPW-QFIPXVFZSA-N 2 2 394.494 3.483 20 0 GGADLP Cc1nn(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1Br ZINC000183523892 1430734632 /nfs/dbraw/zinc/73/46/32/1430734632.db2.gz ZNVHYVJGSGPHSP-UHFFFAOYSA-N 2 2 399.377 3.044 20 0 GGADLP O=C(CC[NH2+]C1(c2ccccc2)CCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000183540492 1430738312 /nfs/dbraw/zinc/73/83/12/1430738312.db2.gz SBYYEWUXVNSPHD-UHFFFAOYSA-N 2 2 378.520 3.179 20 0 GGADLP CCOc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668766 1430767649 /nfs/dbraw/zinc/76/76/49/1430767649.db2.gz RHYZQPHGTCWYFY-LEWJYISDSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668766 1430767653 /nfs/dbraw/zinc/76/76/53/1430767653.db2.gz RHYZQPHGTCWYFY-LEWJYISDSA-N 2 2 387.568 3.495 20 0 GGADLP Cc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000183719489 1430780325 /nfs/dbraw/zinc/78/03/25/1430780325.db2.gz YKOXVEYNUCZNIE-LJQANCHMSA-N 2 2 381.520 3.425 20 0 GGADLP CC(C)c1cnc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000183739503 1430784176 /nfs/dbraw/zinc/78/41/76/1430784176.db2.gz ZCUBFRRLKAFMJF-GOSISDBHSA-N 2 2 386.565 3.254 20 0 GGADLP CC(C)c1cnc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000183739503 1430784181 /nfs/dbraw/zinc/78/41/81/1430784181.db2.gz ZCUBFRRLKAFMJF-GOSISDBHSA-N 2 2 386.565 3.254 20 0 GGADLP O=C(CC[NH2+]C1c2ccccc2-c2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000183761634 1430788574 /nfs/dbraw/zinc/78/85/74/1430788574.db2.gz SMPRHBBTBCUIRQ-UHFFFAOYSA-N 2 2 398.510 3.480 20 0 GGADLP C[C@H](C[NH+](C)CC1(C[N@@H+](C)C[C@@H](C)c2nccs2)COC1)c1nccs1 ZINC000184022846 1430830503 /nfs/dbraw/zinc/83/05/03/1430830503.db2.gz YFZLXTPWHUGVMN-HZPDHXFCSA-N 2 2 394.610 3.387 20 0 GGADLP C[C@H](C[NH+](C)CC1(C[N@H+](C)C[C@@H](C)c2nccs2)COC1)c1nccs1 ZINC000184022846 1430830508 /nfs/dbraw/zinc/83/05/08/1430830508.db2.gz YFZLXTPWHUGVMN-HZPDHXFCSA-N 2 2 394.610 3.387 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000184649369 1430930173 /nfs/dbraw/zinc/93/01/73/1430930173.db2.gz ZMSUOYTUHIMQMD-OAHLLOKOSA-N 2 2 380.499 3.021 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000184649369 1430930182 /nfs/dbraw/zinc/93/01/82/1430930182.db2.gz ZMSUOYTUHIMQMD-OAHLLOKOSA-N 2 2 380.499 3.021 20 0 GGADLP CCc1nc([C@H](C)[NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000184675647 1430939562 /nfs/dbraw/zinc/93/95/62/1430939562.db2.gz AOPVEHXNLPLYLV-INIZCTEOSA-N 2 2 386.565 3.268 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000184745687 1430963149 /nfs/dbraw/zinc/96/31/49/1430963149.db2.gz FFAFVXKQQNWCBB-NYTJIUQPSA-N 2 2 382.533 3.002 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000184745687 1430963154 /nfs/dbraw/zinc/96/31/54/1430963154.db2.gz FFAFVXKQQNWCBB-NYTJIUQPSA-N 2 2 382.533 3.002 20 0 GGADLP C[C@@H](CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+]1CCCCC1 ZINC000184791011 1430978469 /nfs/dbraw/zinc/97/84/69/1430978469.db2.gz IHAZNFNFPGSQDZ-IBGZPJMESA-N 2 2 383.540 3.038 20 0 GGADLP Cc1cnc([C@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000185005162 1431040406 /nfs/dbraw/zinc/04/04/06/1431040406.db2.gz AEFMATIHFYDFPO-HNNXBMFYSA-N 2 2 390.578 3.290 20 0 GGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000185112062 1431063480 /nfs/dbraw/zinc/06/34/80/1431063480.db2.gz LZTDOQDSZLJWSW-NRSPTQNISA-N 2 2 378.582 3.401 20 0 GGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000185112062 1431063484 /nfs/dbraw/zinc/06/34/84/1431063484.db2.gz LZTDOQDSZLJWSW-NRSPTQNISA-N 2 2 378.582 3.401 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000185141793 1431071091 /nfs/dbraw/zinc/07/10/91/1431071091.db2.gz HWVPZCWUYQCFOT-UHFFFAOYSA-N 2 2 378.476 3.290 20 0 GGADLP COCCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000185147992 1431072480 /nfs/dbraw/zinc/07/24/80/1431072480.db2.gz AJNMHTYXRJRVPZ-PMACEKPBSA-N 2 2 396.620 3.028 20 0 GGADLP COCCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185147992 1431072483 /nfs/dbraw/zinc/07/24/83/1431072483.db2.gz AJNMHTYXRJRVPZ-PMACEKPBSA-N 2 2 396.620 3.028 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000185198507 1431082987 /nfs/dbraw/zinc/08/29/87/1431082987.db2.gz WLIYECQCWUAMQH-UHFFFAOYSA-N 2 2 390.491 3.154 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)C1CC1 ZINC000185220867 1431088058 /nfs/dbraw/zinc/08/80/58/1431088058.db2.gz SBBPYDUZNMUWSO-JOCHJYFZSA-N 2 2 381.520 3.384 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)C1CC1 ZINC000185220867 1431088061 /nfs/dbraw/zinc/08/80/61/1431088061.db2.gz SBBPYDUZNMUWSO-JOCHJYFZSA-N 2 2 381.520 3.384 20 0 GGADLP O=[N+]([O-])c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1Cl ZINC000185268027 1431096869 /nfs/dbraw/zinc/09/68/69/1431096869.db2.gz PTWNQKLOPNFRLX-UHFFFAOYSA-N 2 2 375.856 3.370 20 0 GGADLP Cc1cnc([C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000185281144 1431098744 /nfs/dbraw/zinc/09/87/44/1431098744.db2.gz PEQZQOCQAAJIMQ-NSISKUIASA-N 2 2 398.576 3.271 20 0 GGADLP Cc1cnc([C@H]([NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000185281144 1431098747 /nfs/dbraw/zinc/09/87/47/1431098747.db2.gz PEQZQOCQAAJIMQ-NSISKUIASA-N 2 2 398.576 3.271 20 0 GGADLP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1O ZINC000185352781 1431123208 /nfs/dbraw/zinc/12/32/08/1431123208.db2.gz IKKABTSCECRCOF-AWEZNQCLSA-N 2 2 384.362 3.079 20 0 GGADLP C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000185606493 1431182599 /nfs/dbraw/zinc/18/25/99/1431182599.db2.gz RSPJDXSTERHFTH-GCJKJVERSA-N 2 2 386.584 3.368 20 0 GGADLP C[C@@H]1CCCc2ccccc2[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185606493 1431182600 /nfs/dbraw/zinc/18/26/00/1431182600.db2.gz RSPJDXSTERHFTH-GCJKJVERSA-N 2 2 386.584 3.368 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000185637851 1431191489 /nfs/dbraw/zinc/19/14/89/1431191489.db2.gz GWAQATZFCOVWAO-PXNSSMCTSA-N 2 2 396.535 3.369 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000185637851 1431191499 /nfs/dbraw/zinc/19/14/99/1431191499.db2.gz GWAQATZFCOVWAO-PXNSSMCTSA-N 2 2 396.535 3.369 20 0 GGADLP CCCCCc1nnc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185672368 1431201571 /nfs/dbraw/zinc/20/15/71/1431201571.db2.gz QGIPLYDKZSPDRV-CVEARBPZSA-N 2 2 393.601 3.452 20 0 GGADLP CCCCCc1nnc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185672368 1431201573 /nfs/dbraw/zinc/20/15/73/1431201573.db2.gz QGIPLYDKZSPDRV-CVEARBPZSA-N 2 2 393.601 3.452 20 0 GGADLP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185671201 1431201588 /nfs/dbraw/zinc/20/15/88/1431201588.db2.gz HQYAINLOQVTKGR-YPMHNXCESA-N 2 2 377.298 3.301 20 0 GGADLP CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185715832 1431214127 /nfs/dbraw/zinc/21/41/27/1431214127.db2.gz YIHSIAHZILBXNT-GJZGRUSLSA-N 2 2 379.574 3.062 20 0 GGADLP CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185715832 1431214130 /nfs/dbraw/zinc/21/41/30/1431214130.db2.gz YIHSIAHZILBXNT-GJZGRUSLSA-N 2 2 379.574 3.062 20 0 GGADLP CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185715798 1431214167 /nfs/dbraw/zinc/21/41/67/1431214167.db2.gz YIHSIAHZILBXNT-LSDHHAIUSA-N 2 2 379.574 3.062 20 0 GGADLP CCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185715798 1431214171 /nfs/dbraw/zinc/21/41/71/1431214171.db2.gz YIHSIAHZILBXNT-LSDHHAIUSA-N 2 2 379.574 3.062 20 0 GGADLP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000185889875 1431265442 /nfs/dbraw/zinc/26/54/42/1431265442.db2.gz FKTGNHXKGNXGTN-OAQYLSRUSA-N 2 2 385.939 3.033 20 0 GGADLP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000185889857 1431265620 /nfs/dbraw/zinc/26/56/20/1431265620.db2.gz FKTGNHXKGNXGTN-NRFANRHFSA-N 2 2 385.939 3.033 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(Cc4cccc(F)c4)CCC3)CC2)CC1 ZINC000185927803 1431283262 /nfs/dbraw/zinc/28/32/62/1431283262.db2.gz ZAZUXOVMXLFEJW-UHFFFAOYSA-N 2 2 387.543 3.213 20 0 GGADLP CN(C)c1cc[nH+]cc1C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000186395563 1431399896 /nfs/dbraw/zinc/39/98/96/1431399896.db2.gz SVNGOEXIHGSHLE-UHFFFAOYSA-N 2 2 393.516 3.415 20 0 GGADLP CN(C)c1cc[nH+]cc1C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000186395563 1431399902 /nfs/dbraw/zinc/39/99/02/1431399902.db2.gz SVNGOEXIHGSHLE-UHFFFAOYSA-N 2 2 393.516 3.415 20 0 GGADLP CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)Cc1ccsc1 ZINC000186693987 1431493695 /nfs/dbraw/zinc/49/36/95/1431493695.db2.gz SQCGWSNSVWZCPQ-KRWDZBQOSA-N 2 2 392.613 3.269 20 0 GGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000186880655 1431552528 /nfs/dbraw/zinc/55/25/28/1431552528.db2.gz QPZMWBTWNXHEEN-VGSWGCGISA-N 2 2 376.508 3.224 20 0 GGADLP C[C@@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000186880655 1431552534 /nfs/dbraw/zinc/55/25/34/1431552534.db2.gz QPZMWBTWNXHEEN-VGSWGCGISA-N 2 2 376.508 3.224 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000187013394 1431589708 /nfs/dbraw/zinc/58/97/08/1431589708.db2.gz WLJUBTNDOJNVDJ-QAPCUYQASA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000187013394 1431589711 /nfs/dbraw/zinc/58/97/11/1431589711.db2.gz WLJUBTNDOJNVDJ-QAPCUYQASA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC000187016966 1431590994 /nfs/dbraw/zinc/59/09/94/1431590994.db2.gz VTJTXSFGODXSDZ-ZIFCJYIRSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC000187016966 1431591000 /nfs/dbraw/zinc/59/10/00/1431591000.db2.gz VTJTXSFGODXSDZ-ZIFCJYIRSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(CC)cccc2CC)[C@@H](C)C1 ZINC000187016490 1431591013 /nfs/dbraw/zinc/59/10/13/1431591013.db2.gz PQLIKUCZPLUTID-RXVVDRJESA-N 2 2 389.584 3.477 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(CC)cccc2CC)[C@@H](C)C1 ZINC000187016490 1431591015 /nfs/dbraw/zinc/59/10/15/1431591015.db2.gz PQLIKUCZPLUTID-RXVVDRJESA-N 2 2 389.584 3.477 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000187017655 1431591314 /nfs/dbraw/zinc/59/13/14/1431591314.db2.gz APFGDRCIMCXNEQ-KDOFPFPSSA-N 2 2 381.586 3.338 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C)[C@H](C)C1 ZINC000187017655 1431591321 /nfs/dbraw/zinc/59/13/21/1431591321.db2.gz APFGDRCIMCXNEQ-KDOFPFPSSA-N 2 2 381.586 3.338 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccccc3CC[C@@H]2C)[C@H](C)C1 ZINC000187020485 1431591720 /nfs/dbraw/zinc/59/17/20/1431591720.db2.gz KLMLMMMTAWOULA-DYXWJJEUSA-N 2 2 387.568 3.081 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccccc3CC[C@@H]2C)[C@H](C)C1 ZINC000187020485 1431591724 /nfs/dbraw/zinc/59/17/24/1431591724.db2.gz KLMLMMMTAWOULA-DYXWJJEUSA-N 2 2 387.568 3.081 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)[C@@H](C)C1 ZINC000187022378 1431592303 /nfs/dbraw/zinc/59/23/03/1431592303.db2.gz NSEXBHQOOHCKOE-AZUAARDMSA-N 2 2 375.557 3.223 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)[C@@H](C)C1 ZINC000187022378 1431592307 /nfs/dbraw/zinc/59/23/07/1431592307.db2.gz NSEXBHQOOHCKOE-AZUAARDMSA-N 2 2 375.557 3.223 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000187022503 1431592920 /nfs/dbraw/zinc/59/29/20/1431592920.db2.gz GTNXONPSPNRCAH-RVKKMQEKSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000187022503 1431592921 /nfs/dbraw/zinc/59/29/21/1431592921.db2.gz GTNXONPSPNRCAH-RVKKMQEKSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2nc3c(cccc3F)n2CC)[C@@H](C)C1 ZINC000187023591 1431593269 /nfs/dbraw/zinc/59/32/69/1431593269.db2.gz LBSOOTCBTJZXCP-WMZOPIPTSA-N 2 2 376.520 3.422 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2nc3c(cccc3F)n2CC)[C@@H](C)C1 ZINC000187023591 1431593272 /nfs/dbraw/zinc/59/32/72/1431593272.db2.gz LBSOOTCBTJZXCP-WMZOPIPTSA-N 2 2 376.520 3.422 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000187025338 1431593955 /nfs/dbraw/zinc/59/39/55/1431593955.db2.gz AKWMOUVMPHOXKT-RHSMWYFYSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000187025338 1431593957 /nfs/dbraw/zinc/59/39/57/1431593957.db2.gz AKWMOUVMPHOXKT-RHSMWYFYSA-N 2 2 385.911 3.144 20 0 GGADLP Cc1ncsc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000187042892 1431598265 /nfs/dbraw/zinc/59/82/65/1431598265.db2.gz YDLDFADRIZJFND-BGGMYYEUSA-N 2 2 390.597 3.260 20 0 GGADLP Cc1ncsc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000187042892 1431598269 /nfs/dbraw/zinc/59/82/69/1431598269.db2.gz YDLDFADRIZJFND-BGGMYYEUSA-N 2 2 390.597 3.260 20 0 GGADLP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)CCCC1)c1ccccc1 ZINC000187230394 1431657535 /nfs/dbraw/zinc/65/75/35/1431657535.db2.gz GAOJCQHWOQCQPZ-QZTJIDSGSA-N 2 2 378.582 3.453 20 0 GGADLP CCCc1cccc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000187236608 1431659965 /nfs/dbraw/zinc/65/99/65/1431659965.db2.gz IHCONJSSBPPSQD-NRFANRHFSA-N 2 2 395.551 3.024 20 0 GGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000187478457 1431744046 /nfs/dbraw/zinc/74/40/46/1431744046.db2.gz OXLOUKKLDLXXMW-NRFANRHFSA-N 2 2 383.540 3.386 20 0 GGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000187478457 1431744048 /nfs/dbraw/zinc/74/40/48/1431744048.db2.gz OXLOUKKLDLXXMW-NRFANRHFSA-N 2 2 383.540 3.386 20 0 GGADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)Cc1ccsc1 ZINC000187808292 1431815026 /nfs/dbraw/zinc/81/50/26/1431815026.db2.gz QDVWFGOMKWFDJP-SFHVURJKSA-N 2 2 386.565 3.135 20 0 GGADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)Cc1ccsc1 ZINC000187808292 1431815028 /nfs/dbraw/zinc/81/50/28/1431815028.db2.gz QDVWFGOMKWFDJP-SFHVURJKSA-N 2 2 386.565 3.135 20 0 GGADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000188132560 1431851165 /nfs/dbraw/zinc/85/11/65/1431851165.db2.gz YEIDDHYPLIPCRH-JOCHJYFZSA-N 2 2 386.584 3.465 20 0 GGADLP CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000188132560 1431851167 /nfs/dbraw/zinc/85/11/67/1431851167.db2.gz YEIDDHYPLIPCRH-JOCHJYFZSA-N 2 2 386.584 3.465 20 0 GGADLP CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(F)c1 ZINC000188192815 1431858849 /nfs/dbraw/zinc/85/88/49/1431858849.db2.gz JHGQJUCRCNZRAZ-PMACEKPBSA-N 2 2 399.514 3.162 20 0 GGADLP Cc1ccc2c(C[N@@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000188283604 1431869316 /nfs/dbraw/zinc/86/93/16/1431869316.db2.gz KAYSPDASUUIOMA-XMMPIXPASA-N 2 2 392.499 3.170 20 0 GGADLP Cc1ccc2c(C[N@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000188283604 1431869317 /nfs/dbraw/zinc/86/93/17/1431869317.db2.gz KAYSPDASUUIOMA-XMMPIXPASA-N 2 2 392.499 3.170 20 0 GGADLP Cc1ccc2c(C[NH+](C)C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000188283604 1431869319 /nfs/dbraw/zinc/86/93/19/1431869319.db2.gz KAYSPDASUUIOMA-XMMPIXPASA-N 2 2 392.499 3.170 20 0 GGADLP Cc1ccc2c(C[NH+](C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000188283604 1431869322 /nfs/dbraw/zinc/86/93/22/1431869322.db2.gz KAYSPDASUUIOMA-XMMPIXPASA-N 2 2 392.499 3.170 20 0 GGADLP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188327302 1431873611 /nfs/dbraw/zinc/87/36/11/1431873611.db2.gz SNGHDUQEKVTQQC-NRFANRHFSA-N 2 2 376.447 3.357 20 0 GGADLP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188327302 1431873613 /nfs/dbraw/zinc/87/36/13/1431873613.db2.gz SNGHDUQEKVTQQC-NRFANRHFSA-N 2 2 376.447 3.357 20 0 GGADLP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188327302 1431873614 /nfs/dbraw/zinc/87/36/14/1431873614.db2.gz SNGHDUQEKVTQQC-NRFANRHFSA-N 2 2 376.447 3.357 20 0 GGADLP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188327302 1431873615 /nfs/dbraw/zinc/87/36/15/1431873615.db2.gz SNGHDUQEKVTQQC-NRFANRHFSA-N 2 2 376.447 3.357 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cn1 ZINC000189056756 1432036437 /nfs/dbraw/zinc/03/64/37/1432036437.db2.gz OEZZVLNBVRRTHZ-UHFFFAOYSA-N 2 2 376.439 3.249 20 0 GGADLP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000189058177 1432036448 /nfs/dbraw/zinc/03/64/48/1432036448.db2.gz DSDCVGLUNZLJCT-KURKYZTESA-N 2 2 390.576 3.061 20 0 GGADLP C[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[NH+]1CCC(C)CC1 ZINC000189095292 1432044054 /nfs/dbraw/zinc/04/40/54/1432044054.db2.gz ORDYFFYBUULLBT-VIQWUECVSA-N 2 2 383.536 3.304 20 0 GGADLP O=C(CC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000189105326 1432045815 /nfs/dbraw/zinc/04/58/15/1432045815.db2.gz YUHGXAJKBVXATB-FCHUYYIVSA-N 2 2 392.547 3.121 20 0 GGADLP COc1ccc([C@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)cc1C[NH+]1CCCCC1 ZINC000189119149 1432047932 /nfs/dbraw/zinc/04/79/32/1432047932.db2.gz KJFVRKARZAONHB-JKSUJKDBSA-N 2 2 384.528 3.414 20 0 GGADLP COc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)cc1C[NH+]1CCCCC1 ZINC000189119122 1432048023 /nfs/dbraw/zinc/04/80/23/1432048023.db2.gz KJFVRKARZAONHB-CVEARBPZSA-N 2 2 384.528 3.414 20 0 GGADLP O=C1[C@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000189368491 1432094371 /nfs/dbraw/zinc/09/43/71/1432094371.db2.gz DFKIGBTZKRRXKY-PZJWPPBQSA-N 2 2 391.506 3.406 20 0 GGADLP O=C1[C@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000189368491 1432094374 /nfs/dbraw/zinc/09/43/74/1432094374.db2.gz DFKIGBTZKRRXKY-PZJWPPBQSA-N 2 2 391.506 3.406 20 0 GGADLP O=C1[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1Cc1ccc(F)cc1F ZINC000189425079 1432106088 /nfs/dbraw/zinc/10/60/88/1432106088.db2.gz VXQRDBSHWWUPMI-DYESRHJHSA-N 2 2 391.506 3.264 20 0 GGADLP O=C1[C@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1Cc1ccc(F)cc1F ZINC000189425079 1432106089 /nfs/dbraw/zinc/10/60/89/1432106089.db2.gz VXQRDBSHWWUPMI-DYESRHJHSA-N 2 2 391.506 3.264 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189499661 1432137148 /nfs/dbraw/zinc/13/71/48/1432137148.db2.gz JLWKIEGXVYNMBR-OXJNMPFZSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189499661 1432137158 /nfs/dbraw/zinc/13/71/58/1432137158.db2.gz JLWKIEGXVYNMBR-OXJNMPFZSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189499661 1432137165 /nfs/dbraw/zinc/13/71/65/1432137165.db2.gz JLWKIEGXVYNMBR-OXJNMPFZSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189499661 1432137176 /nfs/dbraw/zinc/13/71/76/1432137176.db2.gz JLWKIEGXVYNMBR-OXJNMPFZSA-N 2 2 379.495 3.120 20 0 GGADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000189578451 1432165128 /nfs/dbraw/zinc/16/51/28/1432165128.db2.gz RBNHTXJTFWQBOF-UHFFFAOYSA-N 2 2 385.512 3.302 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC[C@H](Cc4ccccc4)C3)CC2)CC1 ZINC000189781578 1432233760 /nfs/dbraw/zinc/23/37/60/1432233760.db2.gz JLHHGRPGTXBNQT-IFMALSPDSA-N 2 2 398.595 3.256 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1cccnc1Cl ZINC000189958932 1432289784 /nfs/dbraw/zinc/28/97/84/1432289784.db2.gz KCMBYAXXTFKBIJ-HZPDHXFCSA-N 2 2 386.927 3.420 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)[C@H](C)C1 ZINC000189995537 1432301371 /nfs/dbraw/zinc/30/13/71/1432301371.db2.gz JVCXMBIQTMKMOW-VKJFTORMSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)[C@H](C)C1 ZINC000189995537 1432301374 /nfs/dbraw/zinc/30/13/74/1432301374.db2.gz JVCXMBIQTMKMOW-VKJFTORMSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000189999634 1432301910 /nfs/dbraw/zinc/30/19/10/1432301910.db2.gz YCUHOGXJJHBPNQ-ZIFCJYIRSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000189999634 1432301916 /nfs/dbraw/zinc/30/19/16/1432301916.db2.gz YCUHOGXJJHBPNQ-ZIFCJYIRSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000190000305 1432302213 /nfs/dbraw/zinc/30/22/13/1432302213.db2.gz ICCNAWLYQFENRF-AEFFLSMTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2C)[C@H](C)C1 ZINC000190000305 1432302216 /nfs/dbraw/zinc/30/22/16/1432302216.db2.gz ICCNAWLYQFENRF-AEFFLSMTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000190000421 1432302364 /nfs/dbraw/zinc/30/23/64/1432302364.db2.gz PYGZYNGNKXMJTL-AUUYWEPGSA-N 2 2 382.932 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000190000421 1432302368 /nfs/dbraw/zinc/30/23/68/1432302368.db2.gz PYGZYNGNKXMJTL-AUUYWEPGSA-N 2 2 382.932 3.475 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000190004210 1432302986 /nfs/dbraw/zinc/30/29/86/1432302986.db2.gz ICWHCDZJCBYLMT-SJLPKXTDSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2Cl)[C@H](C)C1 ZINC000190004210 1432302990 /nfs/dbraw/zinc/30/29/90/1432302990.db2.gz ICWHCDZJCBYLMT-SJLPKXTDSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2OC)[C@H](C)C1 ZINC000190005902 1432303497 /nfs/dbraw/zinc/30/34/97/1432303497.db2.gz WCVQSRZHSOPFLP-QYZOEREBSA-N 2 2 391.556 3.057 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2OC)[C@H](C)C1 ZINC000190005902 1432303502 /nfs/dbraw/zinc/30/35/02/1432303502.db2.gz WCVQSRZHSOPFLP-QYZOEREBSA-N 2 2 391.556 3.057 20 0 GGADLP CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000190021417 1432306358 /nfs/dbraw/zinc/30/63/58/1432306358.db2.gz IKNIQGNGBCYQRJ-WOJBJXKFSA-N 2 2 391.581 3.111 20 0 GGADLP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190314970 1432359022 /nfs/dbraw/zinc/35/90/22/1432359022.db2.gz TVGXOGZHQCPQFY-QHCPKHFHSA-N 2 2 376.504 3.146 20 0 GGADLP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190314970 1432359026 /nfs/dbraw/zinc/35/90/26/1432359026.db2.gz TVGXOGZHQCPQFY-QHCPKHFHSA-N 2 2 376.504 3.146 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190314970 1432359030 /nfs/dbraw/zinc/35/90/30/1432359030.db2.gz TVGXOGZHQCPQFY-QHCPKHFHSA-N 2 2 376.504 3.146 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190314970 1432359035 /nfs/dbraw/zinc/35/90/35/1432359035.db2.gz TVGXOGZHQCPQFY-QHCPKHFHSA-N 2 2 376.504 3.146 20 0 GGADLP Cn1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000190317838 1432360038 /nfs/dbraw/zinc/36/00/38/1432360038.db2.gz DASFMXQVBIOXNC-XMMPIXPASA-N 2 2 390.531 3.156 20 0 GGADLP Cn1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000190317838 1432360042 /nfs/dbraw/zinc/36/00/42/1432360042.db2.gz DASFMXQVBIOXNC-XMMPIXPASA-N 2 2 390.531 3.156 20 0 GGADLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000190317838 1432360049 /nfs/dbraw/zinc/36/00/49/1432360049.db2.gz DASFMXQVBIOXNC-XMMPIXPASA-N 2 2 390.531 3.156 20 0 GGADLP Cn1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000190317838 1432360053 /nfs/dbraw/zinc/36/00/53/1432360053.db2.gz DASFMXQVBIOXNC-XMMPIXPASA-N 2 2 390.531 3.156 20 0 GGADLP CC(C)(C)[NH+]1CCC(NC(=O)NCC[N@@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000190364520 1432367588 /nfs/dbraw/zinc/36/75/88/1432367588.db2.gz OGKLYCPXJRHLHR-UHFFFAOYSA-N 2 2 392.975 3.260 20 0 GGADLP CC(C)(C)[NH+]1CCC(NC(=O)NCC[N@H+]2CCc3c(Cl)cccc3C2)CC1 ZINC000190364520 1432367591 /nfs/dbraw/zinc/36/75/91/1432367591.db2.gz OGKLYCPXJRHLHR-UHFFFAOYSA-N 2 2 392.975 3.260 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000190515584 1432395977 /nfs/dbraw/zinc/39/59/77/1432395977.db2.gz CQWCDCFNMYHAMV-LJQANCHMSA-N 2 2 375.561 3.132 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000190515584 1432395980 /nfs/dbraw/zinc/39/59/80/1432395980.db2.gz CQWCDCFNMYHAMV-LJQANCHMSA-N 2 2 375.561 3.132 20 0 GGADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000190563225 1432407279 /nfs/dbraw/zinc/40/72/79/1432407279.db2.gz PUHJRPHWLJMCIW-KRWDZBQOSA-N 2 2 395.532 3.231 20 0 GGADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000190563225 1432407283 /nfs/dbraw/zinc/40/72/83/1432407283.db2.gz PUHJRPHWLJMCIW-KRWDZBQOSA-N 2 2 395.532 3.231 20 0 GGADLP COCCN(C)c1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000191327029 1432633644 /nfs/dbraw/zinc/63/36/44/1432633644.db2.gz CGRWMHSVIGLPCM-UHFFFAOYSA-N 2 2 382.552 3.261 20 0 GGADLP COCCN(C)c1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000191327029 1432633659 /nfs/dbraw/zinc/63/36/59/1432633659.db2.gz CGRWMHSVIGLPCM-UHFFFAOYSA-N 2 2 382.552 3.261 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000191500849 1432673424 /nfs/dbraw/zinc/67/34/24/1432673424.db2.gz RGVKNMKETHMPSI-UHFFFAOYSA-N 2 2 385.480 3.354 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000191500849 1432673432 /nfs/dbraw/zinc/67/34/32/1432673432.db2.gz RGVKNMKETHMPSI-UHFFFAOYSA-N 2 2 385.480 3.354 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000191598484 1432689451 /nfs/dbraw/zinc/68/94/51/1432689451.db2.gz QSLVHXXSCWXZOP-FQEVSTJZSA-N 2 2 397.510 3.077 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000191598484 1432689453 /nfs/dbraw/zinc/68/94/53/1432689453.db2.gz QSLVHXXSCWXZOP-FQEVSTJZSA-N 2 2 397.510 3.077 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000191598503 1432689472 /nfs/dbraw/zinc/68/94/72/1432689472.db2.gz QSLVHXXSCWXZOP-HXUWFJFHSA-N 2 2 397.510 3.077 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)CC1 ZINC000191598503 1432689474 /nfs/dbraw/zinc/68/94/74/1432689474.db2.gz QSLVHXXSCWXZOP-HXUWFJFHSA-N 2 2 397.510 3.077 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([S@@](C)=O)cc1 ZINC000191832848 1432734881 /nfs/dbraw/zinc/73/48/81/1432734881.db2.gz MSZZOFFNYZYHIX-UBUJSBSDSA-N 2 2 386.561 3.366 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([S@@](C)=O)cc1 ZINC000191832848 1432734887 /nfs/dbraw/zinc/73/48/87/1432734887.db2.gz MSZZOFFNYZYHIX-UBUJSBSDSA-N 2 2 386.561 3.366 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834570 1432736093 /nfs/dbraw/zinc/73/60/93/1432736093.db2.gz MFXWWJVAPKFZND-XMSQKQJNSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834570 1432736099 /nfs/dbraw/zinc/73/60/99/1432736099.db2.gz MFXWWJVAPKFZND-XMSQKQJNSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835498 1432736242 /nfs/dbraw/zinc/73/62/42/1432736242.db2.gz HUQXFBFXAHKEQY-UNMCSNQZSA-N 2 2 387.568 3.048 20 0 GGADLP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835498 1432736246 /nfs/dbraw/zinc/73/62/46/1432736246.db2.gz HUQXFBFXAHKEQY-UNMCSNQZSA-N 2 2 387.568 3.048 20 0 GGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000191966760 1432770155 /nfs/dbraw/zinc/77/01/55/1432770155.db2.gz ZFDPARIXQWKJEE-UHFFFAOYSA-N 2 2 396.516 3.111 20 0 GGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+]1CCc2c(cccc2NS(C)(=O)=O)C1 ZINC000191966760 1432770156 /nfs/dbraw/zinc/77/01/56/1432770156.db2.gz ZFDPARIXQWKJEE-UHFFFAOYSA-N 2 2 396.516 3.111 20 0 GGADLP COc1ccc(C[N@H+](CCO)Cc2ccc(-n3cc[nH+]c3)cc2C)c(OC)c1 ZINC000192020680 1432780535 /nfs/dbraw/zinc/78/05/35/1432780535.db2.gz RCHBSGLIITWBKO-UHFFFAOYSA-N 2 2 381.476 3.192 20 0 GGADLP COc1ccc(C[N@@H+](CCO)Cc2ccc(-n3cc[nH+]c3)cc2C)c(OC)c1 ZINC000192020680 1432780537 /nfs/dbraw/zinc/78/05/37/1432780537.db2.gz RCHBSGLIITWBKO-UHFFFAOYSA-N 2 2 381.476 3.192 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCCC[C@@H]3CO)nc[nH+]2)c1 ZINC000192282342 1432826958 /nfs/dbraw/zinc/82/69/58/1432826958.db2.gz BHCXBZCVQNHOSD-HXUWFJFHSA-N 2 2 383.540 3.282 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCCC[C@@H]3CO)[nH+]cn2)c1 ZINC000192282342 1432826959 /nfs/dbraw/zinc/82/69/59/1432826959.db2.gz BHCXBZCVQNHOSD-HXUWFJFHSA-N 2 2 383.540 3.282 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192307162 1432830109 /nfs/dbraw/zinc/83/01/09/1432830109.db2.gz HIQIKWOLXHBRMB-UHFFFAOYSA-N 2 2 388.343 3.065 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000192307162 1432830111 /nfs/dbraw/zinc/83/01/11/1432830111.db2.gz HIQIKWOLXHBRMB-UHFFFAOYSA-N 2 2 388.343 3.065 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000192320117 1432831492 /nfs/dbraw/zinc/83/14/92/1432831492.db2.gz AWEZDTVWFSBXBA-IBGZPJMESA-N 2 2 397.567 3.314 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000192320117 1432831493 /nfs/dbraw/zinc/83/14/93/1432831493.db2.gz AWEZDTVWFSBXBA-IBGZPJMESA-N 2 2 397.567 3.314 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000192347051 1432834659 /nfs/dbraw/zinc/83/46/59/1432834659.db2.gz OJGXBPLEGLITKA-GOSISDBHSA-N 2 2 377.577 3.378 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000192347051 1432834661 /nfs/dbraw/zinc/83/46/61/1432834661.db2.gz OJGXBPLEGLITKA-GOSISDBHSA-N 2 2 377.577 3.378 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCCC[C@@H]3CO)nc[nH+]2)CC1 ZINC000192354128 1432835490 /nfs/dbraw/zinc/83/54/90/1432835490.db2.gz NBJGTDMZHQLAHP-HXUWFJFHSA-N 2 2 389.588 3.166 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCCC[C@@H]3CO)[nH+]cn2)CC1 ZINC000192354128 1432835492 /nfs/dbraw/zinc/83/54/92/1432835492.db2.gz NBJGTDMZHQLAHP-HXUWFJFHSA-N 2 2 389.588 3.166 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000192354153 1432835579 /nfs/dbraw/zinc/83/55/79/1432835579.db2.gz YICJXCCKVFNTTE-UHFFFAOYSA-N 2 2 377.602 3.368 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000192354153 1432835581 /nfs/dbraw/zinc/83/55/81/1432835581.db2.gz YICJXCCKVFNTTE-UHFFFAOYSA-N 2 2 377.602 3.368 20 0 GGADLP c1cnn(-c2ccc(C[NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2)c1 ZINC000192354609 1432835859 /nfs/dbraw/zinc/83/58/59/1432835859.db2.gz AQMJGEZQAWNLPW-QHCPKHFHSA-N 2 2 376.504 3.253 20 0 GGADLP c1cnn(-c2ccc(C[NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc2)c1 ZINC000192354609 1432835861 /nfs/dbraw/zinc/83/58/61/1432835861.db2.gz AQMJGEZQAWNLPW-QHCPKHFHSA-N 2 2 376.504 3.253 20 0 GGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357688 1432836154 /nfs/dbraw/zinc/83/61/54/1432836154.db2.gz LBQQDLYEHPYAAU-KNQAVFIVSA-N 2 2 381.520 3.284 20 0 GGADLP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357688 1432836155 /nfs/dbraw/zinc/83/61/55/1432836155.db2.gz LBQQDLYEHPYAAU-KNQAVFIVSA-N 2 2 381.520 3.284 20 0 GGADLP C[C@H](Oc1cccc2ccccc21)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000192469306 1432848479 /nfs/dbraw/zinc/84/84/79/1432848479.db2.gz HJHFHSAJEBHCCM-SFHVURJKSA-N 2 2 395.547 3.282 20 0 GGADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000192703629 1432877453 /nfs/dbraw/zinc/87/74/53/1432877453.db2.gz UBHIKGXSXPWKJI-FQEVSTJZSA-N 2 2 383.492 3.108 20 0 GGADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000192768451 1432887643 /nfs/dbraw/zinc/88/76/43/1432887643.db2.gz JGXKPFWIEQFPCK-LJQANCHMSA-N 2 2 377.532 3.095 20 0 GGADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000192768451 1432887647 /nfs/dbraw/zinc/88/76/47/1432887647.db2.gz JGXKPFWIEQFPCK-LJQANCHMSA-N 2 2 377.532 3.095 20 0 GGADLP C[C@H]1C[N@H+](CCN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCO1 ZINC000192776912 1432889142 /nfs/dbraw/zinc/88/91/42/1432889142.db2.gz QYNZUDZARXTZHW-IBGZPJMESA-N 2 2 377.532 3.095 20 0 GGADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCO1 ZINC000192776912 1432889144 /nfs/dbraw/zinc/88/91/44/1432889144.db2.gz QYNZUDZARXTZHW-IBGZPJMESA-N 2 2 377.532 3.095 20 0 GGADLP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)CCC2 ZINC000192807010 1432893439 /nfs/dbraw/zinc/89/34/39/1432893439.db2.gz AQYCMYDCENWVGJ-QGZVFWFLSA-N 2 2 378.513 3.233 20 0 GGADLP CC(C)C[NH+]1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000193605395 1433027572 /nfs/dbraw/zinc/02/75/72/1433027572.db2.gz KQZKWICSMFLPNL-KDURUIRLSA-N 2 2 388.556 3.101 20 0 GGADLP CC(C)C[NH+]1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000193605395 1433027574 /nfs/dbraw/zinc/02/75/74/1433027574.db2.gz KQZKWICSMFLPNL-KDURUIRLSA-N 2 2 388.556 3.101 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000193621467 1433030133 /nfs/dbraw/zinc/03/01/33/1433030133.db2.gz KBXUDVBMPXLTDU-UHFFFAOYSA-N 2 2 390.915 3.093 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000193621467 1433030135 /nfs/dbraw/zinc/03/01/35/1433030135.db2.gz KBXUDVBMPXLTDU-UHFFFAOYSA-N 2 2 390.915 3.093 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCCCNc2ccc(C)c[nH+]2)cc1F ZINC000194035671 1433105167 /nfs/dbraw/zinc/10/51/67/1433105167.db2.gz XQTGAKXWCGZXNA-UHFFFAOYSA-N 2 2 396.470 3.325 20 0 GGADLP COc1cccc([C@@H](CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)c1 ZINC000194054042 1433108652 /nfs/dbraw/zinc/10/86/52/1433108652.db2.gz LQCWCUSPIJZWGG-OAQYLSRUSA-N 2 2 396.535 3.034 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N(Cc3ccco3)C3CC[NH+](C)CC3)CC2)[nH+]c1 ZINC000194150083 1433126788 /nfs/dbraw/zinc/12/67/88/1433126788.db2.gz HROYDENZUMASCD-UHFFFAOYSA-N 2 2 396.535 3.322 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](c3ccc(F)cc3)[NH+](C)C)CC2)[nH+]c1 ZINC000194182152 1433133475 /nfs/dbraw/zinc/13/34/75/1433133475.db2.gz YKEPWNOKCDGXGZ-FQEVSTJZSA-N 2 2 384.499 3.165 20 0 GGADLP C[C@H](CC[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000194387749 1433170519 /nfs/dbraw/zinc/17/05/19/1433170519.db2.gz HIIGPZNNXBFAAC-CTNGQTDRSA-N 2 2 395.551 3.065 20 0 GGADLP COc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000194440729 1433178384 /nfs/dbraw/zinc/17/83/84/1433178384.db2.gz XPVSXLFEBTWOAL-UHFFFAOYSA-N 2 2 380.920 3.029 20 0 GGADLP CN(C(=O)c1coc(C2CCC2)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000194849433 1433248450 /nfs/dbraw/zinc/24/84/50/1433248450.db2.gz HCDHAHVPUFSUBI-PMACEKPBSA-N 2 2 388.556 3.351 20 0 GGADLP CN(C(=O)c1coc(C2CCC2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000194849433 1433248456 /nfs/dbraw/zinc/24/84/56/1433248456.db2.gz HCDHAHVPUFSUBI-PMACEKPBSA-N 2 2 388.556 3.351 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N(CC[NH+](C)C)Cc3ccc(F)cc3)CC2)[nH+]c1 ZINC000195151392 1433299948 /nfs/dbraw/zinc/29/99/48/1433299948.db2.gz UDTBYJMQRHVFPB-UHFFFAOYSA-N 2 2 398.526 3.336 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N(CC[NH+](C)C)Cc3cccc(F)c3)CC2)[nH+]c1 ZINC000195155427 1433300460 /nfs/dbraw/zinc/30/04/60/1433300460.db2.gz FHTFBCMXYHHPSK-UHFFFAOYSA-N 2 2 398.526 3.336 20 0 GGADLP COc1cccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000195286797 1433315180 /nfs/dbraw/zinc/31/51/80/1433315180.db2.gz HMSYDFSRAVILLC-FGZHOGPDSA-N 2 2 381.520 3.251 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[NH+]3CCC(OC4CCCC4)CC3)CC2)c1 ZINC000195323700 1433319084 /nfs/dbraw/zinc/31/90/84/1433319084.db2.gz ZLCOYUPLWTVPQW-UHFFFAOYSA-N 2 2 399.579 3.063 20 0 GGADLP CN(C)c1c(Cl)cccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195343243 1433320718 /nfs/dbraw/zinc/32/07/18/1433320718.db2.gz CQMAMXUZENCFBQ-UHFFFAOYSA-N 2 2 393.963 3.086 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(-c4nccs4)cc3)CC2)CC1 ZINC000195342899 1433320872 /nfs/dbraw/zinc/32/08/72/1433320872.db2.gz NBZJHPIMNIMLHN-UHFFFAOYSA-N 2 2 399.564 3.490 20 0 GGADLP CC(C)OCc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000195343932 1433321057 /nfs/dbraw/zinc/32/10/57/1433321057.db2.gz LPIPPLDVNBZPDU-UHFFFAOYSA-N 2 2 388.556 3.292 20 0 GGADLP CC(C)COc1ccccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195344193 1433321105 /nfs/dbraw/zinc/32/11/05/1433321105.db2.gz HFUSGOZPAAFETA-UHFFFAOYSA-N 2 2 388.556 3.402 20 0 GGADLP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCCn1cc[nH+]c1 ZINC000195462847 1433333039 /nfs/dbraw/zinc/33/30/39/1433333039.db2.gz LHZVWPIKMCWWFN-UHFFFAOYSA-N 2 2 398.338 3.353 20 0 GGADLP CCCC1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000236809554 1433379291 /nfs/dbraw/zinc/37/92/91/1433379291.db2.gz UQSNYRAAQHAXAA-SOAGJPPSSA-N 2 2 387.572 3.231 20 0 GGADLP CCCC1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000236809590 1433379456 /nfs/dbraw/zinc/37/94/56/1433379456.db2.gz UQSNYRAAQHAXAA-MHJFOBGBSA-N 2 2 387.572 3.231 20 0 GGADLP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000236821183 1433380022 /nfs/dbraw/zinc/38/00/22/1433380022.db2.gz GWXVJIDQBIZBQR-JOCHJYFZSA-N 2 2 380.536 3.070 20 0 GGADLP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000236841720 1433380745 /nfs/dbraw/zinc/38/07/45/1433380745.db2.gz RMJCBCRVUDTRAS-HSZRJFAPSA-N 2 2 394.563 3.460 20 0 GGADLP Cc1cc(N2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000236883943 1433382029 /nfs/dbraw/zinc/38/20/29/1433382029.db2.gz YSKKGWVOXDOLPB-LJQANCHMSA-N 2 2 381.524 3.037 20 0 GGADLP CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000236910077 1433382886 /nfs/dbraw/zinc/38/28/86/1433382886.db2.gz FZABUXDMMYKLBC-ROUUACIJSA-N 2 2 389.590 3.423 20 0 GGADLP CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000236910077 1433382888 /nfs/dbraw/zinc/38/28/88/1433382888.db2.gz FZABUXDMMYKLBC-ROUUACIJSA-N 2 2 389.590 3.423 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000236978443 1433384610 /nfs/dbraw/zinc/38/46/10/1433384610.db2.gz VJGKQPIIQDCMOX-JOCHJYFZSA-N 2 2 381.520 3.210 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000237012070 1433385713 /nfs/dbraw/zinc/38/57/13/1433385713.db2.gz YGGYBXXIUUMNFU-QFIPXVFZSA-N 2 2 378.520 3.034 20 0 GGADLP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)oc1C ZINC000237072071 1433387953 /nfs/dbraw/zinc/38/79/53/1433387953.db2.gz SYXCOQUQSLGVKJ-HZPDHXFCSA-N 2 2 386.492 3.274 20 0 GGADLP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000237072162 1433388011 /nfs/dbraw/zinc/38/80/11/1433388011.db2.gz SYXCOQUQSLGVKJ-IYBDPMFKSA-N 2 2 386.492 3.274 20 0 GGADLP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)oc1C ZINC000237072162 1433388013 /nfs/dbraw/zinc/38/80/13/1433388013.db2.gz SYXCOQUQSLGVKJ-IYBDPMFKSA-N 2 2 386.492 3.274 20 0 GGADLP COc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1OCc1ccccc1 ZINC000237152217 1433390853 /nfs/dbraw/zinc/39/08/53/1433390853.db2.gz WUFVLRVNXNBQIN-UHFFFAOYSA-N 2 2 384.520 3.211 20 0 GGADLP COc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1OCc1cccs1 ZINC000237152263 1433390913 /nfs/dbraw/zinc/39/09/13/1433390913.db2.gz SRERSNVHRICXSR-UHFFFAOYSA-N 2 2 390.549 3.272 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C1CC[NH+](C)CC1 ZINC000237167954 1433391384 /nfs/dbraw/zinc/39/13/84/1433391384.db2.gz DMYYPRNMSDHPDD-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GGADLP C[NH2+]C[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000237179864 1433391594 /nfs/dbraw/zinc/39/15/94/1433391594.db2.gz KWBFGGFUSWEMMZ-OAHLLOKOSA-N 2 2 375.513 3.054 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(Cl)ccc3OC(F)F)ccn2)CC1 ZINC000237239356 1433393675 /nfs/dbraw/zinc/39/36/75/1433393675.db2.gz JSYFEUCLRCHNLK-UHFFFAOYSA-N 2 2 396.869 3.378 20 0 GGADLP COc1ccc(N2CC[NH+](CCC[NH2+]Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000237271144 1433395268 /nfs/dbraw/zinc/39/52/68/1433395268.db2.gz COLCYVXJGUWLFH-UHFFFAOYSA-N 2 2 389.927 3.356 20 0 GGADLP C[NH2+]C[C@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000237306396 1433396610 /nfs/dbraw/zinc/39/66/10/1433396610.db2.gz KWBFGGFUSWEMMZ-HNNXBMFYSA-N 2 2 375.513 3.054 20 0 GGADLP COc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000237377272 1433399903 /nfs/dbraw/zinc/39/99/03/1433399903.db2.gz CEHHQCPMTACYFI-UHFFFAOYSA-N 2 2 392.547 3.254 20 0 GGADLP CSc1ccc([C@H](CNC(=O)CC[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000237427355 1433402583 /nfs/dbraw/zinc/40/25/83/1433402583.db2.gz ANMMJDKTXVBXGV-KRWDZBQOSA-N 2 2 375.563 3.034 20 0 GGADLP CSc1ccc([C@H](CNC(=O)CC[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000237427355 1433402586 /nfs/dbraw/zinc/40/25/86/1433402586.db2.gz ANMMJDKTXVBXGV-KRWDZBQOSA-N 2 2 375.563 3.034 20 0 GGADLP COc1ccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N(C)C)cc1OC ZINC000237501373 1433406719 /nfs/dbraw/zinc/40/67/19/1433406719.db2.gz PBNWKAIJHWFHDJ-HXUWFJFHSA-N 2 2 380.492 3.282 20 0 GGADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000237646892 1433414616 /nfs/dbraw/zinc/41/46/16/1433414616.db2.gz FLTMFBPTEYIBDS-NQIIRXRSSA-N 2 2 383.923 3.183 20 0 GGADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000237646978 1433414631 /nfs/dbraw/zinc/41/46/31/1433414631.db2.gz FLTMFBPTEYIBDS-RXVVDRJESA-N 2 2 383.923 3.183 20 0 GGADLP O=C([C@@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000237665346 1433415827 /nfs/dbraw/zinc/41/58/27/1433415827.db2.gz QFOLTQPYSVOTKC-SFHVURJKSA-N 2 2 389.952 3.465 20 0 GGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(OC(F)F)cc1C ZINC000237743039 1433420440 /nfs/dbraw/zinc/42/04/40/1433420440.db2.gz HVCDKRLUGFOMGB-HXUWFJFHSA-N 2 2 390.474 3.414 20 0 GGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(OC(F)F)cc1C ZINC000237743039 1433420448 /nfs/dbraw/zinc/42/04/48/1433420448.db2.gz HVCDKRLUGFOMGB-HXUWFJFHSA-N 2 2 390.474 3.414 20 0 GGADLP Clc1cccc(N2CC[NH+](CCC[NH2+]Cc3cnc4ccccn34)CC2)c1 ZINC000237823329 1433426332 /nfs/dbraw/zinc/42/63/32/1433426332.db2.gz BWAIKPHUUVSWDN-UHFFFAOYSA-N 2 2 383.927 3.290 20 0 GGADLP [NH3+]C[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237830640 1433427535 /nfs/dbraw/zinc/42/75/35/1433427535.db2.gz OCHPREWRUUPBIT-MOPGFXCFSA-N 2 2 389.902 3.302 20 0 GGADLP [NH3+]C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237830640 1433427540 /nfs/dbraw/zinc/42/75/40/1433427540.db2.gz OCHPREWRUUPBIT-MOPGFXCFSA-N 2 2 389.902 3.302 20 0 GGADLP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245395670 1433460027 /nfs/dbraw/zinc/46/00/27/1433460027.db2.gz ILOJSPYAZQJDOF-RCCFBDPRSA-N 2 2 376.545 3.148 20 0 GGADLP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000245395670 1433460028 /nfs/dbraw/zinc/46/00/28/1433460028.db2.gz ILOJSPYAZQJDOF-RCCFBDPRSA-N 2 2 376.545 3.148 20 0 GGADLP CCC[N@H+](CC)CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245407279 1433462076 /nfs/dbraw/zinc/46/20/76/1433462076.db2.gz ANPRLNVCANKNRH-ROUUACIJSA-N 2 2 376.545 3.149 20 0 GGADLP CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245407279 1433462077 /nfs/dbraw/zinc/46/20/77/1433462077.db2.gz ANPRLNVCANKNRH-ROUUACIJSA-N 2 2 376.545 3.149 20 0 GGADLP C[C@@H](CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000245425264 1433465451 /nfs/dbraw/zinc/46/54/51/1433465451.db2.gz TUEBIUPGPZBCMP-AZUAARDMSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@@H](CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000245425264 1433465452 /nfs/dbraw/zinc/46/54/52/1433465452.db2.gz TUEBIUPGPZBCMP-AZUAARDMSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@@H](CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000245425264 1433465453 /nfs/dbraw/zinc/46/54/53/1433465453.db2.gz TUEBIUPGPZBCMP-AZUAARDMSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@@H](CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000245425264 1433465454 /nfs/dbraw/zinc/46/54/54/1433465454.db2.gz TUEBIUPGPZBCMP-AZUAARDMSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245457194 1433471604 /nfs/dbraw/zinc/47/16/04/1433471604.db2.gz UFWXLPYOUYFHDA-UYAOXDASSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245457194 1433471605 /nfs/dbraw/zinc/47/16/05/1433471605.db2.gz UFWXLPYOUYFHDA-UYAOXDASSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245457194 1433471606 /nfs/dbraw/zinc/47/16/06/1433471606.db2.gz UFWXLPYOUYFHDA-UYAOXDASSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245457194 1433471607 /nfs/dbraw/zinc/47/16/07/1433471607.db2.gz UFWXLPYOUYFHDA-UYAOXDASSA-N 2 2 397.588 3.475 20 0 GGADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@H]1c1cccs1 ZINC000245514076 1433479993 /nfs/dbraw/zinc/47/99/93/1433479993.db2.gz PDPDVDQQNVOMRF-UWVAXJGDSA-N 2 2 399.564 3.104 20 0 GGADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@H]1c1cccs1 ZINC000245514076 1433479995 /nfs/dbraw/zinc/47/99/95/1433479995.db2.gz PDPDVDQQNVOMRF-UWVAXJGDSA-N 2 2 399.564 3.104 20 0 GGADLP COc1cccc([C@H]2[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000245535118 1433481957 /nfs/dbraw/zinc/48/19/57/1433481957.db2.gz FHBFBMBWQLSMOU-UPVQGACJSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@H]2[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000245535118 1433481958 /nfs/dbraw/zinc/48/19/58/1433481958.db2.gz FHBFBMBWQLSMOU-UPVQGACJSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@H]2[C@@H](NC(=O)C[N@H+](C)Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000245535118 1433481960 /nfs/dbraw/zinc/48/19/60/1433481960.db2.gz FHBFBMBWQLSMOU-UPVQGACJSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@H]2[C@@H](NC(=O)C[N@@H+](C)Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000245535118 1433481962 /nfs/dbraw/zinc/48/19/62/1433481962.db2.gz FHBFBMBWQLSMOU-UPVQGACJSA-N 2 2 393.531 3.221 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000245573985 1433487105 /nfs/dbraw/zinc/48/71/05/1433487105.db2.gz DCFGYSGKCYJTLT-YSIASYRMSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000245573985 1433487107 /nfs/dbraw/zinc/48/71/07/1433487107.db2.gz DCFGYSGKCYJTLT-YSIASYRMSA-N 2 2 388.556 3.281 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000245574358 1433487170 /nfs/dbraw/zinc/48/71/70/1433487170.db2.gz HIUNLXJFGXAHPU-IEZWGBDMSA-N 2 2 383.496 3.120 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000245574358 1433487172 /nfs/dbraw/zinc/48/71/72/1433487172.db2.gz HIUNLXJFGXAHPU-IEZWGBDMSA-N 2 2 383.496 3.120 20 0 GGADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245602541 1433489714 /nfs/dbraw/zinc/48/97/14/1433489714.db2.gz MSJJPWQQCWZOBD-GHTZIAJQSA-N 2 2 384.524 3.085 20 0 GGADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245602541 1433489718 /nfs/dbraw/zinc/48/97/18/1433489718.db2.gz MSJJPWQQCWZOBD-GHTZIAJQSA-N 2 2 384.524 3.085 20 0 GGADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245602547 1433489786 /nfs/dbraw/zinc/48/97/86/1433489786.db2.gz MSJJPWQQCWZOBD-WIYYLYMNSA-N 2 2 384.524 3.085 20 0 GGADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000245602547 1433489788 /nfs/dbraw/zinc/48/97/88/1433489788.db2.gz MSJJPWQQCWZOBD-WIYYLYMNSA-N 2 2 384.524 3.085 20 0 GGADLP CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245619713 1433491919 /nfs/dbraw/zinc/49/19/19/1433491919.db2.gz ANRKVDHDAXAKHF-LEWJYISDSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245619713 1433491920 /nfs/dbraw/zinc/49/19/20/1433491920.db2.gz ANRKVDHDAXAKHF-LEWJYISDSA-N 2 2 393.522 3.303 20 0 GGADLP CC(C)CCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245622255 1433491993 /nfs/dbraw/zinc/49/19/93/1433491993.db2.gz BFQXYPCZADHTOT-NRSPTQNISA-N 2 2 381.605 3.233 20 0 GGADLP CC(C)CCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245622255 1433491994 /nfs/dbraw/zinc/49/19/94/1433491994.db2.gz BFQXYPCZADHTOT-NRSPTQNISA-N 2 2 381.605 3.233 20 0 GGADLP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000245690497 1433500049 /nfs/dbraw/zinc/50/00/49/1433500049.db2.gz LRTYKAKSCDZLHG-SIIHOXLZSA-N 2 2 399.963 3.025 20 0 GGADLP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000245690497 1433500054 /nfs/dbraw/zinc/50/00/54/1433500054.db2.gz LRTYKAKSCDZLHG-SIIHOXLZSA-N 2 2 399.963 3.025 20 0 GGADLP COCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245714544 1433504752 /nfs/dbraw/zinc/50/47/52/1433504752.db2.gz ODODALIKXFMDIQ-FCHUYYIVSA-N 2 2 387.568 3.242 20 0 GGADLP COCc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245714544 1433504757 /nfs/dbraw/zinc/50/47/57/1433504757.db2.gz ODODALIKXFMDIQ-FCHUYYIVSA-N 2 2 387.568 3.242 20 0 GGADLP CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245716936 1433504831 /nfs/dbraw/zinc/50/48/31/1433504831.db2.gz OTISGIVCDLJLLX-VQTJNVASSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245716936 1433504834 /nfs/dbraw/zinc/50/48/34/1433504834.db2.gz OTISGIVCDLJLLX-VQTJNVASSA-N 2 2 379.495 3.374 20 0 GGADLP COCc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245714649 1433504863 /nfs/dbraw/zinc/50/48/63/1433504863.db2.gz OFMPVTNHUFBOPX-FCHUYYIVSA-N 2 2 387.568 3.242 20 0 GGADLP COCc1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245714649 1433504865 /nfs/dbraw/zinc/50/48/65/1433504865.db2.gz OFMPVTNHUFBOPX-FCHUYYIVSA-N 2 2 387.568 3.242 20 0 GGADLP COc1csc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245716898 1433505000 /nfs/dbraw/zinc/50/50/00/1433505000.db2.gz OTAVLZMGWKWPFW-QZTJIDSGSA-N 2 2 379.570 3.166 20 0 GGADLP COc1csc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245716898 1433505007 /nfs/dbraw/zinc/50/50/07/1433505007.db2.gz OTAVLZMGWKWPFW-QZTJIDSGSA-N 2 2 379.570 3.166 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000245717472 1433505431 /nfs/dbraw/zinc/50/54/31/1433505431.db2.gz UGKULQIACFYVAQ-SJLPKXTDSA-N 2 2 396.491 3.446 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000245717472 1433505435 /nfs/dbraw/zinc/50/54/35/1433505435.db2.gz UGKULQIACFYVAQ-SJLPKXTDSA-N 2 2 396.491 3.446 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245726207 1433506653 /nfs/dbraw/zinc/50/66/53/1433506653.db2.gz QWPKLQYTBVJCSQ-LEWJYISDSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245726207 1433506657 /nfs/dbraw/zinc/50/66/57/1433506657.db2.gz QWPKLQYTBVJCSQ-LEWJYISDSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245726213 1433506741 /nfs/dbraw/zinc/50/67/41/1433506741.db2.gz QWPKLQYTBVJCSQ-NHCUHLMSSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245726213 1433506744 /nfs/dbraw/zinc/50/67/44/1433506744.db2.gz QWPKLQYTBVJCSQ-NHCUHLMSSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)C[C@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737422 1433508733 /nfs/dbraw/zinc/50/87/33/1433508733.db2.gz UAOADKYKRFNBEU-IPMKNSEASA-N 2 2 399.670 3.021 20 0 GGADLP CN(C(=O)C[C@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737422 1433508736 /nfs/dbraw/zinc/50/87/36/1433508736.db2.gz UAOADKYKRFNBEU-IPMKNSEASA-N 2 2 399.670 3.021 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245756304 1433512421 /nfs/dbraw/zinc/51/24/21/1433512421.db2.gz ZNVGMYQUYPAXKO-CLCXKQKWSA-N 2 2 376.451 3.264 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245756304 1433512422 /nfs/dbraw/zinc/51/24/22/1433512422.db2.gz ZNVGMYQUYPAXKO-CLCXKQKWSA-N 2 2 376.451 3.264 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000245866980 1433530139 /nfs/dbraw/zinc/53/01/39/1433530139.db2.gz LNKXJRHGWMDZPQ-VCOUNFBDSA-N 2 2 383.536 3.130 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000245866980 1433530144 /nfs/dbraw/zinc/53/01/44/1433530144.db2.gz LNKXJRHGWMDZPQ-VCOUNFBDSA-N 2 2 383.536 3.130 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245919574 1433542744 /nfs/dbraw/zinc/54/27/44/1433542744.db2.gz SJPKRXJKVBTVBD-KBPBESRZSA-N 2 2 378.879 3.494 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245919574 1433542750 /nfs/dbraw/zinc/54/27/50/1433542750.db2.gz SJPKRXJKVBTVBD-KBPBESRZSA-N 2 2 378.879 3.494 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000245923694 1433543935 /nfs/dbraw/zinc/54/39/35/1433543935.db2.gz HBSLUAPMWLTEDG-QRVBRYPASA-N 2 2 380.536 3.240 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000245925751 1433544900 /nfs/dbraw/zinc/54/49/00/1433544900.db2.gz YWTPLSAPLHEKSN-RYRKJORJSA-N 2 2 387.474 3.395 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1F ZINC000245925751 1433544905 /nfs/dbraw/zinc/54/49/05/1433544905.db2.gz YWTPLSAPLHEKSN-RYRKJORJSA-N 2 2 387.474 3.395 20 0 GGADLP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245930343 1433545621 /nfs/dbraw/zinc/54/56/21/1433545621.db2.gz ZXMDNUIHTOSDSN-UEXGIBASSA-N 2 2 388.556 3.100 20 0 GGADLP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245930343 1433545622 /nfs/dbraw/zinc/54/56/22/1433545622.db2.gz ZXMDNUIHTOSDSN-UEXGIBASSA-N 2 2 388.556 3.100 20 0 GGADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245930343 1433545623 /nfs/dbraw/zinc/54/56/23/1433545623.db2.gz ZXMDNUIHTOSDSN-UEXGIBASSA-N 2 2 388.556 3.100 20 0 GGADLP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245930343 1433545624 /nfs/dbraw/zinc/54/56/24/1433545624.db2.gz ZXMDNUIHTOSDSN-UEXGIBASSA-N 2 2 388.556 3.100 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)CC1 ZINC000245938183 1433547583 /nfs/dbraw/zinc/54/75/83/1433547583.db2.gz SYNWETBJYJRLNW-WOJBJXKFSA-N 2 2 386.584 3.157 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)CC1 ZINC000245938183 1433547588 /nfs/dbraw/zinc/54/75/88/1433547588.db2.gz SYNWETBJYJRLNW-WOJBJXKFSA-N 2 2 386.584 3.157 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245991467 1433554841 /nfs/dbraw/zinc/55/48/41/1433554841.db2.gz WXDQDWQIKNPWJO-GDBMZVCRSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245991467 1433554845 /nfs/dbraw/zinc/55/48/45/1433554845.db2.gz WXDQDWQIKNPWJO-GDBMZVCRSA-N 2 2 398.334 3.421 20 0 GGADLP CN(C(=O)NCc1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246179332 1433578663 /nfs/dbraw/zinc/57/86/63/1433578663.db2.gz DAIKUHPJLDFYKB-NHCUHLMSSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246179332 1433578665 /nfs/dbraw/zinc/57/86/65/1433578665.db2.gz DAIKUHPJLDFYKB-NHCUHLMSSA-N 2 2 390.547 3.304 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000246301076 1433592108 /nfs/dbraw/zinc/59/21/08/1433592108.db2.gz DBGSLCJLDNJWGY-AUSIDOKSSA-N 3 2 379.552 3.193 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000246301076 1433592110 /nfs/dbraw/zinc/59/21/10/1433592110.db2.gz DBGSLCJLDNJWGY-AUSIDOKSSA-N 3 2 379.552 3.193 20 0 GGADLP COc1cc(NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1 ZINC000246330436 1433595994 /nfs/dbraw/zinc/59/59/94/1433595994.db2.gz GCHJOPMRJYVNRK-VGOFRKELSA-N 2 2 384.524 3.011 20 0 GGADLP COc1cc(NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1 ZINC000246330436 1433595996 /nfs/dbraw/zinc/59/59/96/1433595996.db2.gz GCHJOPMRJYVNRK-VGOFRKELSA-N 2 2 384.524 3.011 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000246366059 1433601348 /nfs/dbraw/zinc/60/13/48/1433601348.db2.gz IWEPWFMCNRLJAX-CRAIPNDOSA-N 2 2 394.441 3.374 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000246366059 1433601349 /nfs/dbraw/zinc/60/13/49/1433601349.db2.gz IWEPWFMCNRLJAX-CRAIPNDOSA-N 2 2 394.441 3.374 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000246366074 1433601566 /nfs/dbraw/zinc/60/15/66/1433601566.db2.gz IWEPWFMCNRLJAX-MAUKXSAKSA-N 2 2 394.441 3.374 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000246366074 1433601569 /nfs/dbraw/zinc/60/15/69/1433601569.db2.gz IWEPWFMCNRLJAX-MAUKXSAKSA-N 2 2 394.441 3.374 20 0 GGADLP CN(C(=O)NOCc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246417261 1433609677 /nfs/dbraw/zinc/60/96/77/1433609677.db2.gz IEUIOKDVNJVTPC-NHCUHLMSSA-N 2 2 388.556 3.097 20 0 GGADLP CN(C(=O)NOCc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246417261 1433609682 /nfs/dbraw/zinc/60/96/82/1433609682.db2.gz IEUIOKDVNJVTPC-NHCUHLMSSA-N 2 2 388.556 3.097 20 0 GGADLP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429751 1433611578 /nfs/dbraw/zinc/61/15/78/1433611578.db2.gz CNOKOWSTEGTMBZ-AYOQOUSVSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429751 1433611580 /nfs/dbraw/zinc/61/15/80/1433611580.db2.gz CNOKOWSTEGTMBZ-AYOQOUSVSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429751 1433611583 /nfs/dbraw/zinc/61/15/83/1433611583.db2.gz CNOKOWSTEGTMBZ-AYOQOUSVSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000246429751 1433611586 /nfs/dbraw/zinc/61/15/86/1433611586.db2.gz CNOKOWSTEGTMBZ-AYOQOUSVSA-N 2 2 379.342 3.431 20 0 GGADLP Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000246433053 1433612360 /nfs/dbraw/zinc/61/23/60/1433612360.db2.gz CSEVMELWRZTZSF-REWPJTCUSA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000246433053 1433612361 /nfs/dbraw/zinc/61/23/61/1433612361.db2.gz CSEVMELWRZTZSF-REWPJTCUSA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246433053 1433612362 /nfs/dbraw/zinc/61/23/62/1433612362.db2.gz CSEVMELWRZTZSF-REWPJTCUSA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246433053 1433612363 /nfs/dbraw/zinc/61/23/63/1433612363.db2.gz CSEVMELWRZTZSF-REWPJTCUSA-N 2 2 381.564 3.435 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000246434353 1433612367 /nfs/dbraw/zinc/61/23/67/1433612367.db2.gz ODKXUVXUVSQVPJ-CRAIPNDOSA-N 2 2 394.441 3.374 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000246434353 1433612368 /nfs/dbraw/zinc/61/23/68/1433612368.db2.gz ODKXUVXUVSQVPJ-CRAIPNDOSA-N 2 2 394.441 3.374 20 0 GGADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(C)C ZINC000246467697 1433617091 /nfs/dbraw/zinc/61/70/91/1433617091.db2.gz JJKHAWPVZRRSNM-MOPGFXCFSA-N 2 2 387.634 3.021 20 0 GGADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(C)C ZINC000246467697 1433617096 /nfs/dbraw/zinc/61/70/96/1433617096.db2.gz JJKHAWPVZRRSNM-MOPGFXCFSA-N 2 2 387.634 3.021 20 0 GGADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000246547652 1433629505 /nfs/dbraw/zinc/62/95/05/1433629505.db2.gz DEOSVDMEDKWEHB-UIFIKXQLSA-N 2 2 381.524 3.143 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000246547652 1433629506 /nfs/dbraw/zinc/62/95/06/1433629506.db2.gz DEOSVDMEDKWEHB-UIFIKXQLSA-N 2 2 381.524 3.143 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)nc[nH+]1 ZINC000246553537 1433630380 /nfs/dbraw/zinc/63/03/80/1433630380.db2.gz WRQKAZWPFNHKON-YZGWKJHDSA-N 3 2 386.588 3.120 20 0 GGADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000246563942 1433631970 /nfs/dbraw/zinc/63/19/70/1433631970.db2.gz LCJFALFAYAEBEF-WMZHIEFXSA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000246563942 1433631971 /nfs/dbraw/zinc/63/19/71/1433631971.db2.gz LCJFALFAYAEBEF-WMZHIEFXSA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246563942 1433631972 /nfs/dbraw/zinc/63/19/72/1433631972.db2.gz LCJFALFAYAEBEF-WMZHIEFXSA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246563942 1433631973 /nfs/dbraw/zinc/63/19/73/1433631973.db2.gz LCJFALFAYAEBEF-WMZHIEFXSA-N 2 2 397.563 3.135 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246600024 1433637835 /nfs/dbraw/zinc/63/78/35/1433637835.db2.gz DBPKUZGDCALMAL-MOPGFXCFSA-N 2 2 375.561 3.039 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246600024 1433637838 /nfs/dbraw/zinc/63/78/38/1433637838.db2.gz DBPKUZGDCALMAL-MOPGFXCFSA-N 2 2 375.561 3.039 20 0 GGADLP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246659698 1433646446 /nfs/dbraw/zinc/64/64/46/1433646446.db2.gz DGADDGVPKHHMEK-GJZGRUSLSA-N 2 2 383.521 3.312 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246674807 1433648208 /nfs/dbraw/zinc/64/82/08/1433648208.db2.gz FTPHAGOMPOVHMK-CABCVRRESA-N 2 2 392.450 3.303 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246674807 1433648209 /nfs/dbraw/zinc/64/82/09/1433648209.db2.gz FTPHAGOMPOVHMK-CABCVRRESA-N 2 2 392.450 3.303 20 0 GGADLP CN(C(=O)NCc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246700110 1433651782 /nfs/dbraw/zinc/65/17/82/1433651782.db2.gz NCDFRSAGUNMETP-LEWJYISDSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246700110 1433651783 /nfs/dbraw/zinc/65/17/83/1433651783.db2.gz NCDFRSAGUNMETP-LEWJYISDSA-N 2 2 390.547 3.304 20 0 GGADLP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1Br ZINC000246749171 1433659404 /nfs/dbraw/zinc/65/94/04/1433659404.db2.gz QAOKWHOUSGLKAE-GDIGMMSISA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1Br ZINC000246749171 1433659405 /nfs/dbraw/zinc/65/94/05/1433659405.db2.gz QAOKWHOUSGLKAE-GDIGMMSISA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000246749171 1433659406 /nfs/dbraw/zinc/65/94/06/1433659406.db2.gz QAOKWHOUSGLKAE-GDIGMMSISA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Br ZINC000246749171 1433659407 /nfs/dbraw/zinc/65/94/07/1433659407.db2.gz QAOKWHOUSGLKAE-GDIGMMSISA-N 2 2 379.342 3.431 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000246807711 1433671275 /nfs/dbraw/zinc/67/12/75/1433671275.db2.gz PTWQMASBXSPTSW-CGTJXYLNSA-N 2 2 393.601 3.183 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1nccs1 ZINC000246807711 1433671285 /nfs/dbraw/zinc/67/12/85/1433671285.db2.gz PTWQMASBXSPTSW-CGTJXYLNSA-N 2 2 393.601 3.183 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246815765 1433672787 /nfs/dbraw/zinc/67/27/87/1433672787.db2.gz NMRHFGLPCHPUDG-GZZPLNRMSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246815765 1433672788 /nfs/dbraw/zinc/67/27/88/1433672788.db2.gz NMRHFGLPCHPUDG-GZZPLNRMSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246815765 1433672789 /nfs/dbraw/zinc/67/27/89/1433672789.db2.gz NMRHFGLPCHPUDG-GZZPLNRMSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246815765 1433672790 /nfs/dbraw/zinc/67/27/90/1433672790.db2.gz NMRHFGLPCHPUDG-GZZPLNRMSA-N 2 2 385.596 3.409 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC(C)C ZINC000246826980 1433675102 /nfs/dbraw/zinc/67/51/02/1433675102.db2.gz BKQGUFXXADQFHZ-YZGWKJHDSA-N 2 2 376.545 3.042 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CC(C)C ZINC000246826980 1433675103 /nfs/dbraw/zinc/67/51/03/1433675103.db2.gz BKQGUFXXADQFHZ-YZGWKJHDSA-N 2 2 376.545 3.042 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000246859541 1433679149 /nfs/dbraw/zinc/67/91/49/1433679149.db2.gz CYKNFJCVOMHSBZ-CRAIPNDOSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000246859541 1433679150 /nfs/dbraw/zinc/67/91/50/1433679150.db2.gz CYKNFJCVOMHSBZ-CRAIPNDOSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000246884803 1433682664 /nfs/dbraw/zinc/68/26/64/1433682664.db2.gz DGHQVODELCNYHT-YLJYHZDGSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000246884803 1433682672 /nfs/dbraw/zinc/68/26/72/1433682672.db2.gz DGHQVODELCNYHT-YLJYHZDGSA-N 2 2 388.556 3.281 20 0 GGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn2)n1 ZINC000246893661 1433683690 /nfs/dbraw/zinc/68/36/90/1433683690.db2.gz FMYJBJBKLYDLLY-VGOFRKELSA-N 2 2 390.535 3.279 20 0 GGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn2)n1 ZINC000246893661 1433683694 /nfs/dbraw/zinc/68/36/94/1433683694.db2.gz FMYJBJBKLYDLLY-VGOFRKELSA-N 2 2 390.535 3.279 20 0 GGADLP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1OC ZINC000246897690 1433684504 /nfs/dbraw/zinc/68/45/04/1433684504.db2.gz FEZQFVMHICNBGW-FXAWDEMLSA-N 2 2 399.535 3.150 20 0 GGADLP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1OC ZINC000246897690 1433684505 /nfs/dbraw/zinc/68/45/05/1433684505.db2.gz FEZQFVMHICNBGW-FXAWDEMLSA-N 2 2 399.535 3.150 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000246916240 1433686855 /nfs/dbraw/zinc/68/68/55/1433686855.db2.gz GMUABFYVVUMZGS-AUSIDOKSSA-N 2 2 375.520 3.310 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000246916240 1433686861 /nfs/dbraw/zinc/68/68/61/1433686861.db2.gz GMUABFYVVUMZGS-AUSIDOKSSA-N 2 2 375.520 3.310 20 0 GGADLP CN(C(=O)NCc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246915628 1433686956 /nfs/dbraw/zinc/68/69/56/1433686956.db2.gz RSTWFFFTTJAWEJ-LEWJYISDSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246915628 1433686958 /nfs/dbraw/zinc/68/69/58/1433686958.db2.gz RSTWFFFTTJAWEJ-LEWJYISDSA-N 2 2 390.547 3.304 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000246915136 1433687083 /nfs/dbraw/zinc/68/70/83/1433687083.db2.gz GLAGSJALGVLPJH-MAUKXSAKSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000246915136 1433687085 /nfs/dbraw/zinc/68/70/85/1433687085.db2.gz GLAGSJALGVLPJH-MAUKXSAKSA-N 2 2 394.441 3.418 20 0 GGADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246929515 1433688959 /nfs/dbraw/zinc/68/89/59/1433688959.db2.gz SZAAKLFOPIFQAB-UGKGYDQZSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246929515 1433688963 /nfs/dbraw/zinc/68/89/63/1433688963.db2.gz SZAAKLFOPIFQAB-UGKGYDQZSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246929515 1433688966 /nfs/dbraw/zinc/68/89/66/1433688966.db2.gz SZAAKLFOPIFQAB-UGKGYDQZSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246929515 1433688969 /nfs/dbraw/zinc/68/89/69/1433688969.db2.gz SZAAKLFOPIFQAB-UGKGYDQZSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246929501 1433689034 /nfs/dbraw/zinc/68/90/34/1433689034.db2.gz SZAAKLFOPIFQAB-SIKLNZKXSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246929501 1433689038 /nfs/dbraw/zinc/68/90/38/1433689038.db2.gz SZAAKLFOPIFQAB-SIKLNZKXSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246929501 1433689041 /nfs/dbraw/zinc/68/90/41/1433689041.db2.gz SZAAKLFOPIFQAB-SIKLNZKXSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246929501 1433689045 /nfs/dbraw/zinc/68/90/45/1433689045.db2.gz SZAAKLFOPIFQAB-SIKLNZKXSA-N 2 2 385.552 3.040 20 0 GGADLP CN(C(=O)NCCc1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247192425 1433689921 /nfs/dbraw/zinc/68/99/21/1433689921.db2.gz YKHKBZKFUQCMQY-VQTJNVASSA-N 2 2 392.613 3.269 20 0 GGADLP CN(C(=O)NCCc1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247192425 1433689925 /nfs/dbraw/zinc/68/99/25/1433689925.db2.gz YKHKBZKFUQCMQY-VQTJNVASSA-N 2 2 392.613 3.269 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247208189 1433691098 /nfs/dbraw/zinc/69/10/98/1433691098.db2.gz WVBUAOAREWOXCL-ZWKOTPCHSA-N 2 2 377.492 3.343 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000247287214 1433700532 /nfs/dbraw/zinc/70/05/32/1433700532.db2.gz TZIDFSRPZODQBN-OTWHNJEPSA-N 2 2 389.588 3.141 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000247287214 1433700542 /nfs/dbraw/zinc/70/05/42/1433700542.db2.gz TZIDFSRPZODQBN-OTWHNJEPSA-N 2 2 389.588 3.141 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000247300458 1433702539 /nfs/dbraw/zinc/70/25/39/1433702539.db2.gz FDLINAXGUUMYMX-COPCDDAFSA-N 2 2 395.551 3.389 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000247300458 1433702548 /nfs/dbraw/zinc/70/25/48/1433702548.db2.gz FDLINAXGUUMYMX-COPCDDAFSA-N 2 2 395.551 3.389 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000247358378 1433712823 /nfs/dbraw/zinc/71/28/23/1433712823.db2.gz QCEFAQSAYCALQM-FXAWDEMLSA-N 2 2 388.556 3.281 20 0 GGADLP 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ZINC000248457675 1433804236 /nfs/dbraw/zinc/80/42/36/1433804236.db2.gz TYMJLEFDSCEYNB-DHIUTWEWSA-N 2 2 394.494 3.005 20 0 GGADLP Cn1cc([C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c2cccc(F)c2)cn1 ZINC000248457676 1433804275 /nfs/dbraw/zinc/80/42/75/1433804275.db2.gz TYMJLEFDSCEYNB-PKTZIBPZSA-N 2 2 394.494 3.005 20 0 GGADLP Cn1cc([C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c2cccc(F)c2)cn1 ZINC000248457676 1433804276 /nfs/dbraw/zinc/80/42/76/1433804276.db2.gz TYMJLEFDSCEYNB-PKTZIBPZSA-N 2 2 394.494 3.005 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248466693 1433805105 /nfs/dbraw/zinc/80/51/05/1433805105.db2.gz SJOFHFUIELYDPP-HZPDHXFCSA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248466693 1433805106 /nfs/dbraw/zinc/80/51/06/1433805106.db2.gz SJOFHFUIELYDPP-HZPDHXFCSA-N 2 2 397.441 3.133 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248524918 1433806872 /nfs/dbraw/zinc/80/68/72/1433806872.db2.gz UDHWPOSVCISEPY-OTWHNJEPSA-N 2 2 378.582 3.400 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248524918 1433806874 /nfs/dbraw/zinc/80/68/74/1433806874.db2.gz UDHWPOSVCISEPY-OTWHNJEPSA-N 2 2 378.582 3.400 20 0 GGADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000248581679 1433809656 /nfs/dbraw/zinc/80/96/56/1433809656.db2.gz OUSDHGUPKQELGM-IRXDYDNUSA-N 2 2 377.916 3.076 20 0 GGADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000248581679 1433809659 /nfs/dbraw/zinc/80/96/59/1433809659.db2.gz OUSDHGUPKQELGM-IRXDYDNUSA-N 2 2 377.916 3.076 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000248701870 1433816079 /nfs/dbraw/zinc/81/60/79/1433816079.db2.gz AHNFEGCAVDEDTL-DENIHFKCSA-N 2 2 392.547 3.243 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000248701870 1433816080 /nfs/dbraw/zinc/81/60/80/1433816080.db2.gz AHNFEGCAVDEDTL-DENIHFKCSA-N 2 2 392.547 3.243 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735182 1433818656 /nfs/dbraw/zinc/81/86/56/1433818656.db2.gz QPYVFGDBPOMXSA-QGPMSJSTSA-N 2 2 381.442 3.227 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735182 1433818658 /nfs/dbraw/zinc/81/86/58/1433818658.db2.gz QPYVFGDBPOMXSA-QGPMSJSTSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735182 1433818659 /nfs/dbraw/zinc/81/86/59/1433818659.db2.gz QPYVFGDBPOMXSA-QGPMSJSTSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735182 1433818661 /nfs/dbraw/zinc/81/86/61/1433818661.db2.gz QPYVFGDBPOMXSA-QGPMSJSTSA-N 2 2 381.442 3.227 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](COC)c2ccc(Cl)cc2)nc[nH+]1 ZINC000248742907 1433819346 /nfs/dbraw/zinc/81/93/46/1433819346.db2.gz RNUPMQLRAYFTPM-IAGOWNOFSA-N 2 2 375.904 3.118 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000248822552 1433824154 /nfs/dbraw/zinc/82/41/54/1433824154.db2.gz LMRFRMSVUXZAAS-WIYYLYMNSA-N 2 2 393.535 3.002 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000248822552 1433824155 /nfs/dbraw/zinc/82/41/55/1433824155.db2.gz LMRFRMSVUXZAAS-WIYYLYMNSA-N 2 2 393.535 3.002 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248829342 1433824545 /nfs/dbraw/zinc/82/45/45/1433824545.db2.gz DTQOMZKAPRVFAQ-BKULYWANSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248829342 1433824547 /nfs/dbraw/zinc/82/45/47/1433824547.db2.gz DTQOMZKAPRVFAQ-BKULYWANSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248829342 1433824548 /nfs/dbraw/zinc/82/45/48/1433824548.db2.gz DTQOMZKAPRVFAQ-BKULYWANSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248829342 1433824550 /nfs/dbraw/zinc/82/45/50/1433824550.db2.gz DTQOMZKAPRVFAQ-BKULYWANSA-N 3 2 378.564 3.404 20 0 GGADLP CN(C(=O)c1coc(C2CCC2)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248843766 1433825224 /nfs/dbraw/zinc/82/52/24/1433825224.db2.gz HCDHAHVPUFSUBI-WOJBJXKFSA-N 2 2 388.556 3.351 20 0 GGADLP CN(C(=O)c1coc(C2CCC2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248843766 1433825225 /nfs/dbraw/zinc/82/52/25/1433825225.db2.gz HCDHAHVPUFSUBI-WOJBJXKFSA-N 2 2 388.556 3.351 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000248849200 1433825533 /nfs/dbraw/zinc/82/55/33/1433825533.db2.gz ONOLIWNHDMIEKY-GHTZIAJQSA-N 2 2 389.503 3.192 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000248849200 1433825535 /nfs/dbraw/zinc/82/55/35/1433825535.db2.gz ONOLIWNHDMIEKY-GHTZIAJQSA-N 2 2 389.503 3.192 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248908896 1433828992 /nfs/dbraw/zinc/82/89/92/1433828992.db2.gz VCFOIZCVWMJUNX-QZTJIDSGSA-N 2 2 378.586 3.257 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248908896 1433828993 /nfs/dbraw/zinc/82/89/93/1433828993.db2.gz VCFOIZCVWMJUNX-QZTJIDSGSA-N 2 2 378.586 3.257 20 0 GGADLP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248947978 1433830195 /nfs/dbraw/zinc/83/01/95/1433830195.db2.gz DSDCVGLUNZLJCT-FGTMMUONSA-N 2 2 390.576 3.061 20 0 GGADLP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248947978 1433830197 /nfs/dbraw/zinc/83/01/97/1433830197.db2.gz DSDCVGLUNZLJCT-FGTMMUONSA-N 2 2 390.576 3.061 20 0 GGADLP O=C1[C@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000248944868 1433830223 /nfs/dbraw/zinc/83/02/23/1433830223.db2.gz DFKIGBTZKRRXKY-TZIWHRDSSA-N 2 2 391.506 3.406 20 0 GGADLP O=C1[C@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000248944868 1433830224 /nfs/dbraw/zinc/83/02/24/1433830224.db2.gz DFKIGBTZKRRXKY-TZIWHRDSSA-N 2 2 391.506 3.406 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cccnc1Cl ZINC000249277288 1433840227 /nfs/dbraw/zinc/84/02/27/1433840227.db2.gz KCMBYAXXTFKBIJ-IGOJGBNBSA-N 2 2 386.927 3.420 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1cccnc1Cl ZINC000249277288 1433840229 /nfs/dbraw/zinc/84/02/29/1433840229.db2.gz KCMBYAXXTFKBIJ-IGOJGBNBSA-N 2 2 386.927 3.420 20 0 GGADLP CC[NH+](CC)[C@H](CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccsc1 ZINC000249321143 1433841172 /nfs/dbraw/zinc/84/11/72/1433841172.db2.gz QVEBQZQYMHBKAS-ZWKOTPCHSA-N 2 2 389.569 3.384 20 0 GGADLP C[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000249337849 1433841343 /nfs/dbraw/zinc/84/13/43/1433841343.db2.gz ZRMXYEOFHPTZDP-UXHICEINSA-N 2 2 382.508 3.115 20 0 GGADLP C[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000249337849 1433841345 /nfs/dbraw/zinc/84/13/45/1433841345.db2.gz ZRMXYEOFHPTZDP-UXHICEINSA-N 2 2 382.508 3.115 20 0 GGADLP C[N@@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000249337852 1433841410 /nfs/dbraw/zinc/84/14/10/1433841410.db2.gz ZRMXYEOFHPTZDP-WOJBJXKFSA-N 2 2 382.508 3.115 20 0 GGADLP C[N@H+]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000249337852 1433841411 /nfs/dbraw/zinc/84/14/11/1433841411.db2.gz ZRMXYEOFHPTZDP-WOJBJXKFSA-N 2 2 382.508 3.115 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000249377308 1433842016 /nfs/dbraw/zinc/84/20/16/1433842016.db2.gz PYGZYNGNKXMJTL-LIRRHRJNSA-N 2 2 382.932 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000249377308 1433842018 /nfs/dbraw/zinc/84/20/18/1433842018.db2.gz PYGZYNGNKXMJTL-LIRRHRJNSA-N 2 2 382.932 3.475 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000249394167 1433842583 /nfs/dbraw/zinc/84/25/83/1433842583.db2.gz APFGDRCIMCXNEQ-KSSFIOAISA-N 2 2 381.586 3.338 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000249394167 1433842584 /nfs/dbraw/zinc/84/25/84/1433842584.db2.gz APFGDRCIMCXNEQ-KSSFIOAISA-N 2 2 381.586 3.338 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)[C@H](C)C1 ZINC000249420301 1433843454 /nfs/dbraw/zinc/84/34/54/1433843454.db2.gz HJLQXRHYLLTTDH-RKVPGOIHSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)[C@H](C)C1 ZINC000249420301 1433843456 /nfs/dbraw/zinc/84/34/56/1433843456.db2.gz HJLQXRHYLLTTDH-RKVPGOIHSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccccc3CC[C@@H]2C)[C@@H](C)C1 ZINC000249434130 1433843728 /nfs/dbraw/zinc/84/37/28/1433843728.db2.gz KLMLMMMTAWOULA-ZJOUEHCJSA-N 2 2 387.568 3.081 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccccc3CC[C@@H]2C)[C@@H](C)C1 ZINC000249434130 1433843729 /nfs/dbraw/zinc/84/37/29/1433843729.db2.gz KLMLMMMTAWOULA-ZJOUEHCJSA-N 2 2 387.568 3.081 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccccc3CC[C@H]2C)[C@@H](C)C1 ZINC000249434135 1433843828 /nfs/dbraw/zinc/84/38/28/1433843828.db2.gz KLMLMMMTAWOULA-ZVDOUQERSA-N 2 2 387.568 3.081 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccccc3CC[C@H]2C)[C@@H](C)C1 ZINC000249434135 1433843829 /nfs/dbraw/zinc/84/38/29/1433843829.db2.gz KLMLMMMTAWOULA-ZVDOUQERSA-N 2 2 387.568 3.081 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000249508041 1433845576 /nfs/dbraw/zinc/84/55/76/1433845576.db2.gz ZASQZDYMTUERMW-ZWOKBUDYSA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000249508041 1433845577 /nfs/dbraw/zinc/84/55/77/1433845577.db2.gz ZASQZDYMTUERMW-ZWOKBUDYSA-N 2 2 393.597 3.462 20 0 GGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000249769236 1433851604 /nfs/dbraw/zinc/85/16/04/1433851604.db2.gz KNIHPFXVDSFKSB-OTWHNJEPSA-N 2 2 383.540 3.097 20 0 GGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000249769236 1433851606 /nfs/dbraw/zinc/85/16/06/1433851606.db2.gz KNIHPFXVDSFKSB-OTWHNJEPSA-N 2 2 383.540 3.097 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250347001 1433855867 /nfs/dbraw/zinc/85/58/67/1433855867.db2.gz ZJBKYDYVEYPEMR-IFMALSPDSA-N 2 2 388.552 3.073 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250347001 1433855869 /nfs/dbraw/zinc/85/58/69/1433855869.db2.gz ZJBKYDYVEYPEMR-IFMALSPDSA-N 2 2 388.552 3.073 20 0 GGADLP CCO[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000250473217 1433856260 /nfs/dbraw/zinc/85/62/60/1433856260.db2.gz DFQXZJWMUSSLDU-FXAWDEMLSA-N 2 2 393.959 3.094 20 0 GGADLP CCO[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000250473217 1433856262 /nfs/dbraw/zinc/85/62/62/1433856262.db2.gz DFQXZJWMUSSLDU-FXAWDEMLSA-N 2 2 393.959 3.094 20 0 GGADLP CN(C(=O)Cc1noc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000252726714 1433864403 /nfs/dbraw/zinc/86/44/03/1433864403.db2.gz DWKWODWJKREEJD-NHCUHLMSSA-N 2 2 398.551 3.166 20 0 GGADLP CN(C(=O)Cc1noc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000252726714 1433864404 /nfs/dbraw/zinc/86/44/04/1433864404.db2.gz DWKWODWJKREEJD-NHCUHLMSSA-N 2 2 398.551 3.166 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255300205 1433879597 /nfs/dbraw/zinc/87/95/97/1433879597.db2.gz ASSPIGPBMMQQIZ-RWKBYAJOSA-N 2 2 384.568 3.147 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255300205 1433879601 /nfs/dbraw/zinc/87/96/01/1433879601.db2.gz ASSPIGPBMMQQIZ-RWKBYAJOSA-N 2 2 384.568 3.147 20 0 GGADLP O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000261647165 1433898136 /nfs/dbraw/zinc/89/81/36/1433898136.db2.gz BDVSJLLACUYJFI-OAQYLSRUSA-N 2 2 375.476 3.052 20 0 GGADLP CSc1ccc([C@H](CNC(=O)C[C@@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000261743756 1433900980 /nfs/dbraw/zinc/90/09/80/1433900980.db2.gz GTGRRAXIRSUIQK-KDOFPFPSSA-N 2 2 389.590 3.423 20 0 GGADLP CSc1ccc([C@H](CNC(=O)C[C@@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000261743756 1433900988 /nfs/dbraw/zinc/90/09/88/1433900988.db2.gz GTGRRAXIRSUIQK-KDOFPFPSSA-N 2 2 389.590 3.423 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)c1 ZINC000262232996 1433931864 /nfs/dbraw/zinc/93/18/64/1433931864.db2.gz GZQBEQZKCNGEOS-MQYPRSKASA-N 2 2 385.552 3.054 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N(CCC[NH3+])Cc3ccccc3)cn2c1 ZINC000262496776 1433941276 /nfs/dbraw/zinc/94/12/76/1433941276.db2.gz WTYWHDDUOXGJHC-UHFFFAOYSA-N 2 2 382.533 3.254 20 0 GGADLP C[C@@H]([NH3+])[C@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000262544986 1433943057 /nfs/dbraw/zinc/94/30/57/1433943057.db2.gz UUSQATRJFMESGB-LSDHHAIUSA-N 2 2 375.513 3.182 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)n2)C1 ZINC000262573800 1433944084 /nfs/dbraw/zinc/94/40/84/1433944084.db2.gz ZPNOWQLNDHDJEP-HNNXBMFYSA-N 2 2 384.549 3.316 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)n2)C1 ZINC000262573800 1433944093 /nfs/dbraw/zinc/94/40/93/1433944093.db2.gz ZPNOWQLNDHDJEP-HNNXBMFYSA-N 2 2 384.549 3.316 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000262638408 1433947406 /nfs/dbraw/zinc/94/74/06/1433947406.db2.gz IMSCBESEGKGMDY-UNMCSNQZSA-N 2 2 381.520 3.347 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262648904 1433947778 /nfs/dbraw/zinc/94/77/78/1433947778.db2.gz PVGCYGVMESTHME-JTAQYXEDSA-N 2 2 395.547 3.072 20 0 GGADLP [NH3+]Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)co1 ZINC000262764794 1433954762 /nfs/dbraw/zinc/95/47/62/1433954762.db2.gz FRROERVXZXYZCJ-UHFFFAOYSA-N 2 2 381.398 3.105 20 0 GGADLP [NH3+]Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)co1 ZINC000262764794 1433954766 /nfs/dbraw/zinc/95/47/66/1433954766.db2.gz FRROERVXZXYZCJ-UHFFFAOYSA-N 2 2 381.398 3.105 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000262820512 1433959021 /nfs/dbraw/zinc/95/90/21/1433959021.db2.gz WVMHRVQGMAAXSQ-NFBKMPQASA-N 2 2 381.520 3.213 20 0 GGADLP C[C@]([NH3+])(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858229 1433961905 /nfs/dbraw/zinc/96/19/05/1433961905.db2.gz KWKGBXLFWAIZLW-UYAOXDASSA-N 2 2 391.437 3.270 20 0 GGADLP C[C@]([NH3+])(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858229 1433961913 /nfs/dbraw/zinc/96/19/13/1433961913.db2.gz KWKGBXLFWAIZLW-UYAOXDASSA-N 2 2 391.437 3.270 20 0 GGADLP C[NH+](CC(=O)[O-])[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000263520255 1434011216 /nfs/dbraw/zinc/01/12/16/1434011216.db2.gz QNRPCJNYHPENSO-HXUWFJFHSA-N 2 2 375.557 3.016 20 0 GGADLP C[NH+](CC(=O)[O-])[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000263520255 1434011221 /nfs/dbraw/zinc/01/12/21/1434011221.db2.gz QNRPCJNYHPENSO-HXUWFJFHSA-N 2 2 375.557 3.016 20 0 GGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263520255 1434011224 /nfs/dbraw/zinc/01/12/24/1434011224.db2.gz QNRPCJNYHPENSO-HXUWFJFHSA-N 2 2 375.557 3.016 20 0 GGADLP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263520255 1434011227 /nfs/dbraw/zinc/01/12/27/1434011227.db2.gz QNRPCJNYHPENSO-HXUWFJFHSA-N 2 2 375.557 3.016 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)c3ccc(Cl)cc3)CC2)CC1 ZINC000263871326 1434043953 /nfs/dbraw/zinc/04/39/53/1434043953.db2.gz KGFVALBKGSYPFW-UHFFFAOYSA-N 2 2 392.975 3.433 20 0 GGADLP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@H](c4[nH]cc[nH+]4)C3)c(C)c2)CC1 ZINC000263922081 1434049104 /nfs/dbraw/zinc/04/91/04/1434049104.db2.gz CTSITGUCBNSFGU-SFHVURJKSA-N 2 2 396.539 3.272 20 0 GGADLP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000263955242 1434053305 /nfs/dbraw/zinc/05/33/05/1434053305.db2.gz NEWJHPRSDVVBNY-OALUTQOASA-N 2 2 388.556 3.244 20 0 GGADLP CC(C)[N@H+]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000263955242 1434053307 /nfs/dbraw/zinc/05/33/07/1434053307.db2.gz NEWJHPRSDVVBNY-OALUTQOASA-N 2 2 388.556 3.244 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[NH+]1CCCC1 ZINC000263963369 1434054197 /nfs/dbraw/zinc/05/41/97/1434054197.db2.gz RQXQOTRIGJRDAJ-HKUYNNGSSA-N 2 2 397.523 3.144 20 0 GGADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263962467 1434054237 /nfs/dbraw/zinc/05/42/37/1434054237.db2.gz RHXGJVLVIUFMMV-IRXDYDNUSA-N 2 2 387.553 3.272 20 0 GGADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263962467 1434054238 /nfs/dbraw/zinc/05/42/38/1434054238.db2.gz RHXGJVLVIUFMMV-IRXDYDNUSA-N 2 2 387.553 3.272 20 0 GGADLP COc1cccc([C@@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCC2)c1 ZINC000263967222 1434054803 /nfs/dbraw/zinc/05/48/03/1434054803.db2.gz UWKTUYSWWLLZRI-AZUAARDMSA-N 2 2 397.523 3.144 20 0 GGADLP CC[NH+](CC)[C@@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000264107127 1434072225 /nfs/dbraw/zinc/07/22/25/1434072225.db2.gz NWYBPJJLEFZYHP-OAQYLSRUSA-N 2 2 377.492 3.275 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000264198980 1434081183 /nfs/dbraw/zinc/08/11/83/1434081183.db2.gz DTZQCEBUCPQTJO-SFHVURJKSA-N 2 2 386.540 3.172 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1)[NH+]1CCOCC1 ZINC000264198978 1434081239 /nfs/dbraw/zinc/08/12/39/1434081239.db2.gz DTZQCEBUCPQTJO-GOSISDBHSA-N 2 2 386.540 3.172 20 0 GGADLP C[C@@H](c1cccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1)[NH+]1CCOCC1 ZINC000264200326 1434081467 /nfs/dbraw/zinc/08/14/67/1434081467.db2.gz FAJIIGYWASSPDT-SFHVURJKSA-N 2 2 396.535 3.463 20 0 GGADLP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264260486 1434089119 /nfs/dbraw/zinc/08/91/19/1434089119.db2.gz CVGWXWPDRQCGEG-JOCHJYFZSA-N 2 2 388.515 3.226 20 0 GGADLP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264260486 1434089121 /nfs/dbraw/zinc/08/91/21/1434089121.db2.gz CVGWXWPDRQCGEG-JOCHJYFZSA-N 2 2 388.515 3.226 20 0 GGADLP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264301751 1434094978 /nfs/dbraw/zinc/09/49/78/1434094978.db2.gz MEBBUVGGPXQMQU-QFIPXVFZSA-N 2 2 388.515 3.226 20 0 GGADLP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264301751 1434094980 /nfs/dbraw/zinc/09/49/80/1434094980.db2.gz MEBBUVGGPXQMQU-QFIPXVFZSA-N 2 2 388.515 3.226 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000264438246 1434112529 /nfs/dbraw/zinc/11/25/29/1434112529.db2.gz DGOACPVGIQYXHA-NQIIRXRSSA-N 2 2 386.540 3.172 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000264438244 1434112590 /nfs/dbraw/zinc/11/25/90/1434112590.db2.gz DGOACPVGIQYXHA-GHTZIAJQSA-N 2 2 386.540 3.172 20 0 GGADLP CC[N@H+](Cc1ccc(C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000264849783 1434159452 /nfs/dbraw/zinc/15/94/52/1434159452.db2.gz BSPUQMINFWAYCB-UHFFFAOYSA-N 3 2 388.600 3.015 20 0 GGADLP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000264849783 1434159455 /nfs/dbraw/zinc/15/94/55/1434159455.db2.gz BSPUQMINFWAYCB-UHFFFAOYSA-N 3 2 388.600 3.015 20 0 GGADLP CC[NH+](Cc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000264849783 1434159457 /nfs/dbraw/zinc/15/94/57/1434159457.db2.gz BSPUQMINFWAYCB-UHFFFAOYSA-N 3 2 388.600 3.015 20 0 GGADLP CC[NH+](Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1)C(C)C ZINC000264849783 1434159458 /nfs/dbraw/zinc/15/94/58/1434159458.db2.gz BSPUQMINFWAYCB-UHFFFAOYSA-N 3 2 388.600 3.015 20 0 GGADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000264995971 1434172741 /nfs/dbraw/zinc/17/27/41/1434172741.db2.gz CRLBSDBHDFWEGB-UHFFFAOYSA-N 2 2 383.517 3.344 20 0 GGADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000264995971 1434172744 /nfs/dbraw/zinc/17/27/44/1434172744.db2.gz CRLBSDBHDFWEGB-UHFFFAOYSA-N 2 2 383.517 3.344 20 0 GGADLP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000265080020 1434182566 /nfs/dbraw/zinc/18/25/66/1434182566.db2.gz XDDAXCZHDMFDSC-UHFFFAOYSA-N 2 2 378.476 3.420 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000265137419 1434189526 /nfs/dbraw/zinc/18/95/26/1434189526.db2.gz AVQIBAYCWQGKCH-HXUWFJFHSA-N 2 2 392.547 3.199 20 0 GGADLP C[NH+](CCCC[N@@H+](C)Cc1nccn1C(F)F)Cc1nccn1C(F)F ZINC000265479722 1434238290 /nfs/dbraw/zinc/23/82/90/1434238290.db2.gz LCNRPRFHHUFQOQ-UHFFFAOYSA-N 2 2 376.402 3.214 20 0 GGADLP C[NH+](CCCC[N@H+](C)Cc1nccn1C(F)F)Cc1nccn1C(F)F ZINC000265479722 1434238292 /nfs/dbraw/zinc/23/82/92/1434238292.db2.gz LCNRPRFHHUFQOQ-UHFFFAOYSA-N 2 2 376.402 3.214 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000265779064 1434264470 /nfs/dbraw/zinc/26/44/70/1434264470.db2.gz LAEATVFUIDUWKO-UHFFFAOYSA-N 2 2 388.556 3.103 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000265779064 1434264472 /nfs/dbraw/zinc/26/44/72/1434264472.db2.gz LAEATVFUIDUWKO-UHFFFAOYSA-N 2 2 388.556 3.103 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000266293496 1434317019 /nfs/dbraw/zinc/31/70/19/1434317019.db2.gz IXXYEDXFHALBTM-UHFFFAOYSA-N 2 2 398.526 3.349 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000266293496 1434317021 /nfs/dbraw/zinc/31/70/21/1434317021.db2.gz IXXYEDXFHALBTM-UHFFFAOYSA-N 2 2 398.526 3.349 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000266390846 1434329289 /nfs/dbraw/zinc/32/92/89/1434329289.db2.gz MWCKHUACWAQLAM-UHFFFAOYSA-N 2 2 386.462 3.281 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000266390846 1434329290 /nfs/dbraw/zinc/32/92/90/1434329290.db2.gz MWCKHUACWAQLAM-UHFFFAOYSA-N 2 2 386.462 3.281 20 0 GGADLP CCCCOc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000266411225 1434332650 /nfs/dbraw/zinc/33/26/50/1434332650.db2.gz JCENODROUKYMDN-UHFFFAOYSA-N 2 2 376.545 3.355 20 0 GGADLP CCCCOc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000266411225 1434332651 /nfs/dbraw/zinc/33/26/51/1434332651.db2.gz JCENODROUKYMDN-UHFFFAOYSA-N 2 2 376.545 3.355 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000266428032 1434335090 /nfs/dbraw/zinc/33/50/90/1434335090.db2.gz KGNMXAFSQIBWEM-UHFFFAOYSA-N 2 2 397.523 3.364 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000266428032 1434335092 /nfs/dbraw/zinc/33/50/92/1434335092.db2.gz KGNMXAFSQIBWEM-UHFFFAOYSA-N 2 2 397.523 3.364 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000266431025 1434335596 /nfs/dbraw/zinc/33/55/96/1434335596.db2.gz MYCZJSWGOJEPFP-KRWDZBQOSA-N 2 2 385.512 3.187 20 0 GGADLP CC(C)n1ncc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000266481553 1434341992 /nfs/dbraw/zinc/34/19/92/1434341992.db2.gz WETGNRJQZVVICG-UHFFFAOYSA-N 2 2 386.544 3.107 20 0 GGADLP CC(C)n1ncc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc21 ZINC000266481553 1434341995 /nfs/dbraw/zinc/34/19/95/1434341995.db2.gz WETGNRJQZVVICG-UHFFFAOYSA-N 2 2 386.544 3.107 20 0 GGADLP CC[N@@H+](CC(=O)N1CCc2sccc2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266540366 1434347764 /nfs/dbraw/zinc/34/77/64/1434347764.db2.gz IEQPAEZYEYGFOD-UHFFFAOYSA-N 2 2 398.576 3.266 20 0 GGADLP CC[N@H+](CC(=O)N1CCc2sccc2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000266540366 1434347765 /nfs/dbraw/zinc/34/77/65/1434347765.db2.gz IEQPAEZYEYGFOD-UHFFFAOYSA-N 2 2 398.576 3.266 20 0 GGADLP CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)C2CC[NH+](C)CC2)cc1 ZINC000266789885 1434375803 /nfs/dbraw/zinc/37/58/03/1434375803.db2.gz CBTBZPFZQAYCSI-UHFFFAOYSA-N 2 2 384.524 3.043 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000266807528 1434377391 /nfs/dbraw/zinc/37/73/91/1434377391.db2.gz GPJGKQIVEMHNDN-KRWDZBQOSA-N 2 2 379.570 3.093 20 0 GGADLP C[NH+]1CCC(C(=O)N(CCCn2cc[nH+]c2)Cc2c(F)cccc2Cl)CC1 ZINC000266869523 1434383451 /nfs/dbraw/zinc/38/34/51/1434383451.db2.gz XBAZDRXJRBJTDE-UHFFFAOYSA-N 2 2 392.906 3.436 20 0 GGADLP CCC[NH+]1CCC(N(C)C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000267286595 1434419420 /nfs/dbraw/zinc/41/94/20/1434419420.db2.gz HVLUSEJJHQKKSI-SFHVURJKSA-N 2 2 388.556 3.418 20 0 GGADLP CO[C@@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)[nH+]c4ccccc43)CC2)n1 ZINC000267434890 1434432561 /nfs/dbraw/zinc/43/25/61/1434432561.db2.gz XPNPWQKYDGVSCZ-INIZCTEOSA-N 2 2 381.480 3.346 20 0 GGADLP CO[C@@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)[nH+]c4ccccc43)CC2)n1 ZINC000267434890 1434432565 /nfs/dbraw/zinc/43/25/65/1434432565.db2.gz XPNPWQKYDGVSCZ-INIZCTEOSA-N 2 2 381.480 3.346 20 0 GGADLP COc1cc(NC(=O)CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC)cc1Cl ZINC000267447788 1434434532 /nfs/dbraw/zinc/43/45/32/1434434532.db2.gz QOEOEFBJXGRWCI-ZDUSSCGKSA-N 2 2 392.887 3.289 20 0 GGADLP COc1cc(NC(=O)CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC)cc1Cl ZINC000267447788 1434434533 /nfs/dbraw/zinc/43/45/33/1434434533.db2.gz QOEOEFBJXGRWCI-ZDUSSCGKSA-N 2 2 392.887 3.289 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000267454078 1434435066 /nfs/dbraw/zinc/43/50/66/1434435066.db2.gz OBTUZYJFTOQGIG-SFHVURJKSA-N 2 2 385.512 3.158 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000267454078 1434435068 /nfs/dbraw/zinc/43/50/68/1434435068.db2.gz OBTUZYJFTOQGIG-SFHVURJKSA-N 2 2 385.512 3.158 20 0 GGADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000267454077 1434435109 /nfs/dbraw/zinc/43/51/09/1434435109.db2.gz OBTUZYJFTOQGIG-GOSISDBHSA-N 2 2 385.512 3.158 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000267454077 1434435111 /nfs/dbraw/zinc/43/51/11/1434435111.db2.gz OBTUZYJFTOQGIG-GOSISDBHSA-N 2 2 385.512 3.158 20 0 GGADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000267480504 1434438878 /nfs/dbraw/zinc/43/88/78/1434438878.db2.gz BYXPKLTYSGQYOF-HLAWJBBLSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000267480504 1434438881 /nfs/dbraw/zinc/43/88/81/1434438881.db2.gz BYXPKLTYSGQYOF-HLAWJBBLSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000267480504 1434438884 /nfs/dbraw/zinc/43/88/84/1434438884.db2.gz BYXPKLTYSGQYOF-HLAWJBBLSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000267480504 1434438887 /nfs/dbraw/zinc/43/88/87/1434438887.db2.gz BYXPKLTYSGQYOF-HLAWJBBLSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000267527779 1434443674 /nfs/dbraw/zinc/44/36/74/1434443674.db2.gz UFZRTHOKPWYSAT-HOJAQTOUSA-N 2 2 381.524 3.352 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1Cc1ccccc1 ZINC000267527779 1434443677 /nfs/dbraw/zinc/44/36/77/1434443677.db2.gz UFZRTHOKPWYSAT-HOJAQTOUSA-N 2 2 381.524 3.352 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCCC1 ZINC000268055295 1434491567 /nfs/dbraw/zinc/49/15/67/1434491567.db2.gz XRRGXCFZWYRTFZ-SFHVURJKSA-N 2 2 387.549 3.385 20 0 GGADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000268211722 1434502193 /nfs/dbraw/zinc/50/21/93/1434502193.db2.gz NMWVNTZYTYSGFB-MOPGFXCFSA-N 2 2 388.556 3.179 20 0 GGADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000268211722 1434502195 /nfs/dbraw/zinc/50/21/95/1434502195.db2.gz NMWVNTZYTYSGFB-MOPGFXCFSA-N 2 2 388.556 3.179 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000268211726 1434502213 /nfs/dbraw/zinc/50/22/13/1434502213.db2.gz NMWVNTZYTYSGFB-RBUKOAKNSA-N 2 2 388.556 3.179 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000268211726 1434502215 /nfs/dbraw/zinc/50/22/15/1434502215.db2.gz NMWVNTZYTYSGFB-RBUKOAKNSA-N 2 2 388.556 3.179 20 0 GGADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000268211724 1434502241 /nfs/dbraw/zinc/50/22/41/1434502241.db2.gz NMWVNTZYTYSGFB-OALUTQOASA-N 2 2 388.556 3.179 20 0 GGADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000268211724 1434502243 /nfs/dbraw/zinc/50/22/43/1434502243.db2.gz NMWVNTZYTYSGFB-OALUTQOASA-N 2 2 388.556 3.179 20 0 GGADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000268393184 1434518572 /nfs/dbraw/zinc/51/85/72/1434518572.db2.gz RHSQJFAFSWYXSU-GHTZIAJQSA-N 2 2 384.524 3.327 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268529173 1434530288 /nfs/dbraw/zinc/53/02/88/1434530288.db2.gz HXIXQYLJRGENSP-PXNSSMCTSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268529173 1434530289 /nfs/dbraw/zinc/53/02/89/1434530289.db2.gz HXIXQYLJRGENSP-PXNSSMCTSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC[C@@H]4CCCC[N@@H+]4C)CC3)cc2NC1=O ZINC000268578904 1434535993 /nfs/dbraw/zinc/53/59/93/1434535993.db2.gz SSPNVOZLRIIJPZ-APWZRJJASA-N 2 2 399.535 3.175 20 0 GGADLP C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC[C@@H]4CCCC[N@H+]4C)CC3)cc2NC1=O ZINC000268578904 1434535995 /nfs/dbraw/zinc/53/59/95/1434535995.db2.gz SSPNVOZLRIIJPZ-APWZRJJASA-N 2 2 399.535 3.175 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268742033 1434552069 /nfs/dbraw/zinc/55/20/69/1434552069.db2.gz DGHKBSFRFUFISB-OAHLLOKOSA-N 2 2 387.480 3.325 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(N2CCOCC2)c1 ZINC000268746029 1434552550 /nfs/dbraw/zinc/55/25/50/1434552550.db2.gz ATFFERSPDODBLF-HXUWFJFHSA-N 2 2 395.547 3.206 20 0 GGADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1S(C)(=O)=O ZINC000268782611 1434556827 /nfs/dbraw/zinc/55/68/27/1434556827.db2.gz UPSXLYRLSIIJLY-MRXNPFEDSA-N 2 2 399.516 3.194 20 0 GGADLP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000268804112 1434559021 /nfs/dbraw/zinc/55/90/21/1434559021.db2.gz IIVSQFYTQRKMOI-OAHLLOKOSA-N 2 2 386.565 3.252 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000268805765 1434559322 /nfs/dbraw/zinc/55/93/22/1434559322.db2.gz IZKPUXASIXZAOW-AWEZNQCLSA-N 2 2 391.437 3.342 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCOc4ccc(F)cc43)cc2)CC1 ZINC000268806946 1434559357 /nfs/dbraw/zinc/55/93/57/1434559357.db2.gz JJVMOFOLBFIFEA-NRFANRHFSA-N 2 2 397.494 3.217 20 0 GGADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268812752 1434560175 /nfs/dbraw/zinc/56/01/75/1434560175.db2.gz OWKOHWWCKUBRDR-AZUAARDMSA-N 2 2 381.520 3.442 20 0 GGADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268812752 1434560177 /nfs/dbraw/zinc/56/01/77/1434560177.db2.gz OWKOHWWCKUBRDR-AZUAARDMSA-N 2 2 381.520 3.442 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268817508 1434560805 /nfs/dbraw/zinc/56/08/05/1434560805.db2.gz QOJANZHSHXPAIG-SFHVURJKSA-N 2 2 390.487 3.196 20 0 GGADLP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCC2 ZINC000268849988 1434564550 /nfs/dbraw/zinc/56/45/50/1434564550.db2.gz WJYSDAJXZQYKJQ-SFHVURJKSA-N 2 2 384.549 3.006 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000268976977 1434577641 /nfs/dbraw/zinc/57/76/41/1434577641.db2.gz JLAUNFMYLJETFE-HYVJGQCMSA-N 2 2 381.520 3.179 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)c1 ZINC000268976977 1434577645 /nfs/dbraw/zinc/57/76/45/1434577645.db2.gz JLAUNFMYLJETFE-HYVJGQCMSA-N 2 2 381.520 3.179 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000268976979 1434577767 /nfs/dbraw/zinc/57/77/67/1434577767.db2.gz JLAUNFMYLJETFE-LXBDKUERSA-N 2 2 381.520 3.179 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000268976979 1434577768 /nfs/dbraw/zinc/57/77/68/1434577768.db2.gz JLAUNFMYLJETFE-LXBDKUERSA-N 2 2 381.520 3.179 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC[N@@H+]1C ZINC000269051111 1434585912 /nfs/dbraw/zinc/58/59/12/1434585912.db2.gz ZNMLPSOZWWHYMN-HNAYVOBHSA-N 2 2 391.512 3.199 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000269051111 1434585915 /nfs/dbraw/zinc/58/59/15/1434585915.db2.gz ZNMLPSOZWWHYMN-HNAYVOBHSA-N 2 2 391.512 3.199 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccccc3N3CCOCC3)[nH+]c2)CC1 ZINC000269133243 1434595958 /nfs/dbraw/zinc/59/59/58/1434595958.db2.gz IXGSJPSDQKBSSX-UHFFFAOYSA-N 2 2 395.551 3.061 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(-n4ccnc4)cc3)[nH+]c2)CC1 ZINC000269146441 1434597482 /nfs/dbraw/zinc/59/74/82/1434597482.db2.gz ODGQJUJGMRADGA-UHFFFAOYSA-N 2 2 376.508 3.410 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3c[nH]nc3-c3cccnc3)[nH+]c2)CC1 ZINC000269160995 1434599486 /nfs/dbraw/zinc/59/94/86/1434599486.db2.gz UURDVKUCYQKCAD-UHFFFAOYSA-N 2 2 377.496 3.009 20 0 GGADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000269196774 1434605443 /nfs/dbraw/zinc/60/54/43/1434605443.db2.gz GRCRQHDLZQXUID-UXHICEINSA-N 2 2 378.480 3.006 20 0 GGADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000269288843 1434618461 /nfs/dbraw/zinc/61/84/61/1434618461.db2.gz UGMIEMQVUFGACN-XRXFAXGQSA-N 2 2 379.508 3.038 20 0 GGADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000269288843 1434618467 /nfs/dbraw/zinc/61/84/67/1434618467.db2.gz UGMIEMQVUFGACN-XRXFAXGQSA-N 2 2 379.508 3.038 20 0 GGADLP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000269404499 1434639704 /nfs/dbraw/zinc/63/97/04/1434639704.db2.gz ZTNFOEUFJSLOCZ-FQEVSTJZSA-N 2 2 399.501 3.229 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000269506145 1434654799 /nfs/dbraw/zinc/65/47/99/1434654799.db2.gz MZPVDYNVFPLCJI-RBBKRZOGSA-N 2 2 393.535 3.090 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000269506145 1434654800 /nfs/dbraw/zinc/65/48/00/1434654800.db2.gz MZPVDYNVFPLCJI-RBBKRZOGSA-N 2 2 393.535 3.090 20 0 GGADLP C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C[NH+]1CCCC1 ZINC000270220299 1434714483 /nfs/dbraw/zinc/71/44/83/1434714483.db2.gz HBRYQPBPCXQSDW-QGZVFWFLSA-N 2 2 379.508 3.455 20 0 GGADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270329093 1434723714 /nfs/dbraw/zinc/72/37/14/1434723714.db2.gz LVKJFBGTEIRBPB-KRWDZBQOSA-N 2 2 379.508 3.407 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270329093 1434723718 /nfs/dbraw/zinc/72/37/18/1434723718.db2.gz LVKJFBGTEIRBPB-KRWDZBQOSA-N 2 2 379.508 3.407 20 0 GGADLP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270849239 1434781390 /nfs/dbraw/zinc/78/13/90/1434781390.db2.gz GLGCTPOJXPGLIC-FQEVSTJZSA-N 2 2 386.584 3.121 20 0 GGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000270858757 1434782303 /nfs/dbraw/zinc/78/23/03/1434782303.db2.gz JNQLAVFRAMTUMV-AWEZNQCLSA-N 2 2 378.402 3.133 20 0 GGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000270858757 1434782309 /nfs/dbraw/zinc/78/23/09/1434782309.db2.gz JNQLAVFRAMTUMV-AWEZNQCLSA-N 2 2 378.402 3.133 20 0 GGADLP COc1ccc(-c2nc(C[NH+]3CCC(N4CC[NH+](C(C)C)CC4)CC3)co2)cc1 ZINC000270860779 1434782499 /nfs/dbraw/zinc/78/24/99/1434782499.db2.gz ICQWCMJBRXBCSU-UHFFFAOYSA-N 2 2 398.551 3.341 20 0 GGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270882002 1434784675 /nfs/dbraw/zinc/78/46/75/1434784675.db2.gz KGHWTXGHCQFTOS-UHFFFAOYSA-N 2 2 392.975 3.077 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC000270909512 1434787075 /nfs/dbraw/zinc/78/70/75/1434787075.db2.gz NTGMCGVKGWDYLF-FQEVSTJZSA-N 2 2 386.584 3.121 20 0 GGADLP COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000270917807 1434788015 /nfs/dbraw/zinc/78/80/15/1434788015.db2.gz DRSOZCATGGSYDQ-UHFFFAOYSA-N 2 2 398.551 3.142 20 0 GGADLP COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000270917807 1434788020 /nfs/dbraw/zinc/78/80/20/1434788020.db2.gz DRSOZCATGGSYDQ-UHFFFAOYSA-N 2 2 398.551 3.142 20 0 GGADLP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000270933901 1434789255 /nfs/dbraw/zinc/78/92/55/1434789255.db2.gz QLSCSXGKOUZNBE-IBGZPJMESA-N 2 2 386.584 3.066 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)Nc3cccc4ccccc43)CC2)CC1 ZINC000270962690 1434791117 /nfs/dbraw/zinc/79/11/17/1434791117.db2.gz VGRHIIOCKAOYKP-UHFFFAOYSA-N 2 2 394.563 3.269 20 0 GGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270974409 1434792312 /nfs/dbraw/zinc/79/23/12/1434792312.db2.gz WRRRORUVUYGEJH-UHFFFAOYSA-N 2 2 392.975 3.077 20 0 GGADLP C[C@H](CC(=O)Nc1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000271188784 1434807092 /nfs/dbraw/zinc/80/70/92/1434807092.db2.gz BVYICTVFIIYLFZ-QGZVFWFLSA-N 2 2 381.524 3.441 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccn(-c4ccccc4)n3)[nH+]c2)CC1 ZINC000271430144 1434824132 /nfs/dbraw/zinc/82/41/32/1434824132.db2.gz NVGZBQCKQURYDK-UHFFFAOYSA-N 2 2 376.508 3.410 20 0 GGADLP Cc1c([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)nnn1-c1ccc(C)cc1 ZINC000271456253 1434826205 /nfs/dbraw/zinc/82/62/05/1434826205.db2.gz GTMBKMNJTMZTRX-QGZVFWFLSA-N 2 2 394.523 3.070 20 0 GGADLP Cc1ccsc1[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000271530077 1434832279 /nfs/dbraw/zinc/83/22/79/1434832279.db2.gz WOQPXOYRSBNFAE-IRXDYDNUSA-N 2 2 387.553 3.003 20 0 GGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(C(N)=O)cc2)cc1 ZINC000271604560 1434838511 /nfs/dbraw/zinc/83/85/11/1434838511.db2.gz BIIAOMFBEILTFQ-UHFFFAOYSA-N 2 2 392.503 3.473 20 0 GGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(C(N)=O)cc2)cc1 ZINC000271604560 1434838513 /nfs/dbraw/zinc/83/85/13/1434838513.db2.gz BIIAOMFBEILTFQ-UHFFFAOYSA-N 2 2 392.503 3.473 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)CC1 ZINC000271719363 1434846140 /nfs/dbraw/zinc/84/61/40/1434846140.db2.gz CXSRHRYAECTHRR-NZQKXSOJSA-N 2 2 388.552 3.470 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]CC2(c3ccccc3C)CCOCC2)CC1 ZINC000271817879 1434852508 /nfs/dbraw/zinc/85/25/08/1434852508.db2.gz OPOJHDXNTGJOCO-UHFFFAOYSA-N 2 2 388.552 3.050 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccnc(OCc3ccccc3)c2)CC1 ZINC000271835170 1434853819 /nfs/dbraw/zinc/85/38/19/1434853819.db2.gz RVZZSDGDYZVOQN-UHFFFAOYSA-N 2 2 397.519 3.168 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCCOCCc2ccccc2)CC1 ZINC000271858011 1434855195 /nfs/dbraw/zinc/85/51/95/1434855195.db2.gz YAHQOWPCFFUPHM-UHFFFAOYSA-N 2 2 376.541 3.033 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1)[NH+]1CCOCC1 ZINC000271876567 1434856512 /nfs/dbraw/zinc/85/65/12/1434856512.db2.gz XYMRPWFMNAOHKJ-RTBURBONSA-N 2 2 386.540 3.029 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1)[NH+]1CCOCC1 ZINC000271876562 1434856547 /nfs/dbraw/zinc/85/65/47/1434856547.db2.gz XYMRPWFMNAOHKJ-OALUTQOASA-N 2 2 386.540 3.029 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@](O)(c2nccn2C)C(F)(F)F)cc1 ZINC000272009441 1434865726 /nfs/dbraw/zinc/86/57/26/1434865726.db2.gz BODNSCHFLLBWPU-UGSOOPFHSA-N 2 2 393.413 3.015 20 0 GGADLP CC[N@H+](CCCC1CC[NH+](CCCn2ccnc2)CC1)CCCn1cc[nH+]c1 ZINC000272059685 1434869518 /nfs/dbraw/zinc/86/95/18/1434869518.db2.gz RVIYFQAXPIDUEO-UHFFFAOYSA-N 3 2 386.588 3.374 20 0 GGADLP CC[N@@H+](CCCC1CC[NH+](CCCn2ccnc2)CC1)CCCn1cc[nH+]c1 ZINC000272059685 1434869520 /nfs/dbraw/zinc/86/95/20/1434869520.db2.gz RVIYFQAXPIDUEO-UHFFFAOYSA-N 3 2 386.588 3.374 20 0 GGADLP C[C@H](CC(=O)N(C)c1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272152966 1434875209 /nfs/dbraw/zinc/87/52/09/1434875209.db2.gz ATWOEEZHFSBDIA-GOSISDBHSA-N 2 2 395.551 3.466 20 0 GGADLP C[C@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000272167272 1434875941 /nfs/dbraw/zinc/87/59/41/1434875941.db2.gz CNWCIYNYYYMRIU-KRWDZBQOSA-N 2 2 391.523 3.366 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NC3CCN(CC(F)(F)F)CC3)[nH+]c2)CC1 ZINC000272261393 1434882385 /nfs/dbraw/zinc/88/23/85/1434882385.db2.gz LXYLIQWPFKASRM-UHFFFAOYSA-N 2 2 385.478 3.051 20 0 GGADLP C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272335213 1434887986 /nfs/dbraw/zinc/88/79/86/1434887986.db2.gz NMHSMOGDCDTCAW-XLIONFOSSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272335213 1434887987 /nfs/dbraw/zinc/88/79/87/1434887987.db2.gz NMHSMOGDCDTCAW-XLIONFOSSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272534830 1434905010 /nfs/dbraw/zinc/90/50/10/1434905010.db2.gz PEEROMKNPGRGKM-CZAYHTPWSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272534830 1434905013 /nfs/dbraw/zinc/90/50/13/1434905013.db2.gz PEEROMKNPGRGKM-CZAYHTPWSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1=CC[N@H+](C)CC1 ZINC000272649073 1434919468 /nfs/dbraw/zinc/91/94/68/1434919468.db2.gz DTFDETOSQAWRQL-INIZCTEOSA-N 2 2 377.492 3.374 20 0 GGADLP C[C@H](NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C1=CC[N@@H+](C)CC1 ZINC000272649073 1434919471 /nfs/dbraw/zinc/91/94/71/1434919471.db2.gz DTFDETOSQAWRQL-INIZCTEOSA-N 2 2 377.492 3.374 20 0 GGADLP C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000272658223 1434920612 /nfs/dbraw/zinc/92/06/12/1434920612.db2.gz BLIFHTZSARIYNH-KZNAEPCWSA-N 2 2 386.540 3.068 20 0 GGADLP C[C@@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000272658223 1434920613 /nfs/dbraw/zinc/92/06/13/1434920613.db2.gz BLIFHTZSARIYNH-KZNAEPCWSA-N 2 2 386.540 3.068 20 0 GGADLP FC(F)(F)CCN1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000272742407 1434927322 /nfs/dbraw/zinc/92/73/22/1434927322.db2.gz REWCTOOKTLNJFH-UHFFFAOYSA-N 2 2 385.474 3.025 20 0 GGADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000272741571 1434927433 /nfs/dbraw/zinc/92/74/33/1434927433.db2.gz CTPGZZBMQSIXKM-ZLGUVYLKSA-N 2 2 379.508 3.061 20 0 GGADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000272741571 1434927435 /nfs/dbraw/zinc/92/74/35/1434927435.db2.gz CTPGZZBMQSIXKM-ZLGUVYLKSA-N 2 2 379.508 3.061 20 0 GGADLP C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000272741566 1434927493 /nfs/dbraw/zinc/92/74/93/1434927493.db2.gz CTPGZZBMQSIXKM-NDXORKPFSA-N 2 2 379.508 3.061 20 0 GGADLP C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000272741566 1434927494 /nfs/dbraw/zinc/92/74/94/1434927494.db2.gz CTPGZZBMQSIXKM-NDXORKPFSA-N 2 2 379.508 3.061 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000272744587 1434927588 /nfs/dbraw/zinc/92/75/88/1434927588.db2.gz LUKAIKNSMVANLG-AMHTUMDSSA-N 2 2 381.520 3.179 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000272744587 1434927590 /nfs/dbraw/zinc/92/75/90/1434927590.db2.gz LUKAIKNSMVANLG-AMHTUMDSSA-N 2 2 381.520 3.179 20 0 GGADLP C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272747439 1434927918 /nfs/dbraw/zinc/92/79/18/1434927918.db2.gz NBUABZYKQXJDPG-UYAOXDASSA-N 2 2 395.551 3.384 20 0 GGADLP C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000272747439 1434927920 /nfs/dbraw/zinc/92/79/20/1434927920.db2.gz NBUABZYKQXJDPG-UYAOXDASSA-N 2 2 395.551 3.384 20 0 GGADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000272849179 1434935829 /nfs/dbraw/zinc/93/58/29/1434935829.db2.gz SIMNLLRJEMDBIG-NJAFHUGGSA-N 2 2 395.511 3.052 20 0 GGADLP CC(C)[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000272849179 1434935830 /nfs/dbraw/zinc/93/58/30/1434935830.db2.gz SIMNLLRJEMDBIG-NJAFHUGGSA-N 2 2 395.511 3.052 20 0 GGADLP Cc1ccncc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000273045697 1434954639 /nfs/dbraw/zinc/95/46/39/1434954639.db2.gz PXLHJTLZCMGBHT-TXLWKQMCSA-N 2 2 384.568 3.199 20 0 GGADLP Cc1ccncc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000273045697 1434954642 /nfs/dbraw/zinc/95/46/42/1434954642.db2.gz PXLHJTLZCMGBHT-TXLWKQMCSA-N 2 2 384.568 3.199 20 0 GGADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000273163477 1434968125 /nfs/dbraw/zinc/96/81/25/1434968125.db2.gz KVZAAIUVKDKWHH-XMMPIXPASA-N 2 2 390.531 3.403 20 0 GGADLP C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000273267295 1434976679 /nfs/dbraw/zinc/97/66/79/1434976679.db2.gz NZHSDLDCBCGOIX-UTKZUKDTSA-N 2 2 375.476 3.109 20 0 GGADLP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000273267289 1434976709 /nfs/dbraw/zinc/97/67/09/1434976709.db2.gz NZHSDLDCBCGOIX-LAUBAEHRSA-N 2 2 375.476 3.109 20 0 GGADLP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000273301052 1434979289 /nfs/dbraw/zinc/97/92/89/1434979289.db2.gz BHQURKCDFJNJKE-MSOLQXFVSA-N 2 2 388.556 3.274 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000273301057 1434979317 /nfs/dbraw/zinc/97/93/17/1434979317.db2.gz BHQURKCDFJNJKE-ROUUACIJSA-N 2 2 388.556 3.274 20 0 GGADLP C[C@H](c1cccc(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000273301054 1434979346 /nfs/dbraw/zinc/97/93/46/1434979346.db2.gz BHQURKCDFJNJKE-QZTJIDSGSA-N 2 2 388.556 3.274 20 0 GGADLP CCn1nc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000274409245 1435068628 /nfs/dbraw/zinc/06/86/28/1435068628.db2.gz HNNSYYCOZKZZDJ-UHFFFAOYSA-N 2 2 377.536 3.093 20 0 GGADLP CCn1nc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c2ccccc21 ZINC000274409245 1435068630 /nfs/dbraw/zinc/06/86/30/1435068630.db2.gz HNNSYYCOZKZZDJ-UHFFFAOYSA-N 2 2 377.536 3.093 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274803498 1435093912 /nfs/dbraw/zinc/09/39/12/1435093912.db2.gz GABSXOMDVNBTNB-XLIONFOSSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274803498 1435093914 /nfs/dbraw/zinc/09/39/14/1435093914.db2.gz GABSXOMDVNBTNB-XLIONFOSSA-N 2 2 397.519 3.143 20 0 GGADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274817480 1435095168 /nfs/dbraw/zinc/09/51/68/1435095168.db2.gz JEDSQMSBTBVDRK-JTSKRJEESA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274817480 1435095171 /nfs/dbraw/zinc/09/51/71/1435095171.db2.gz JEDSQMSBTBVDRK-JTSKRJEESA-N 2 2 379.504 3.328 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000274836399 1435096776 /nfs/dbraw/zinc/09/67/76/1435096776.db2.gz KZIRIMCCWFODKH-CTNGQTDRSA-N 2 2 375.557 3.155 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000274836399 1435096777 /nfs/dbraw/zinc/09/67/77/1435096777.db2.gz KZIRIMCCWFODKH-CTNGQTDRSA-N 2 2 375.557 3.155 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)nc12 ZINC000274861634 1435098708 /nfs/dbraw/zinc/09/87/08/1435098708.db2.gz UKFVOSXHWOABJD-NQIIRXRSSA-N 2 2 376.504 3.003 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)nc12 ZINC000274861634 1435098709 /nfs/dbraw/zinc/09/87/09/1435098709.db2.gz UKFVOSXHWOABJD-NQIIRXRSSA-N 2 2 376.504 3.003 20 0 GGADLP CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274877749 1435100469 /nfs/dbraw/zinc/10/04/69/1435100469.db2.gz YUEGSUJKXRIIHS-JTSKRJEESA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274877749 1435100470 /nfs/dbraw/zinc/10/04/70/1435100470.db2.gz YUEGSUJKXRIIHS-JTSKRJEESA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000274877758 1435100492 /nfs/dbraw/zinc/10/04/92/1435100492.db2.gz YUEGSUJKXRIIHS-VGSWGCGISA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000274877758 1435100493 /nfs/dbraw/zinc/10/04/93/1435100493.db2.gz YUEGSUJKXRIIHS-VGSWGCGISA-N 2 2 394.519 3.084 20 0 GGADLP C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274917757 1435103355 /nfs/dbraw/zinc/10/33/55/1435103355.db2.gz OQMQHMWDBQHQBK-UGKGYDQZSA-N 2 2 386.561 3.102 20 0 GGADLP C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274917757 1435103358 /nfs/dbraw/zinc/10/33/58/1435103358.db2.gz OQMQHMWDBQHQBK-UGKGYDQZSA-N 2 2 386.561 3.102 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)cn1 ZINC000274927796 1435104032 /nfs/dbraw/zinc/10/40/32/1435104032.db2.gz QEVUTWOGQLFJRL-MRXNPFEDSA-N 2 2 375.900 3.297 20 0 GGADLP C[NH+](C)CCc1ccccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000275716850 1435162460 /nfs/dbraw/zinc/16/24/60/1435162460.db2.gz VJDJMDFNSKFPSP-UHFFFAOYSA-N 2 2 377.492 3.357 20 0 GGADLP COCCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000275784073 1435168985 /nfs/dbraw/zinc/16/89/85/1435168985.db2.gz RZDDQSZJRWRICQ-QFIPXVFZSA-N 2 2 383.536 3.451 20 0 GGADLP COCCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000275784073 1435168986 /nfs/dbraw/zinc/16/89/86/1435168986.db2.gz RZDDQSZJRWRICQ-QFIPXVFZSA-N 2 2 383.536 3.451 20 0 GGADLP COCCCOc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000275784073 1435168987 /nfs/dbraw/zinc/16/89/87/1435168987.db2.gz RZDDQSZJRWRICQ-QFIPXVFZSA-N 2 2 383.536 3.451 20 0 GGADLP COCCCOc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000275784073 1435168988 /nfs/dbraw/zinc/16/89/88/1435168988.db2.gz RZDDQSZJRWRICQ-QFIPXVFZSA-N 2 2 383.536 3.451 20 0 GGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@H](c3ncc[nH]3)c3ccc(F)cc3)[nH+]c2)C1 ZINC000275943411 1435181456 /nfs/dbraw/zinc/18/14/56/1435181456.db2.gz ZJIMNCGXOJWOSP-ICSRJNTNSA-N 2 2 380.471 3.286 20 0 GGADLP CCCN(CCC[NH+](C)C)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000276110951 1435191530 /nfs/dbraw/zinc/19/15/30/1435191530.db2.gz AODXWQILCUHWIE-GOSISDBHSA-N 2 2 376.545 3.275 20 0 GGADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cnn1C(C)(C)C ZINC000276451057 1435212139 /nfs/dbraw/zinc/21/21/39/1435212139.db2.gz ZQZOVGQYSXREAH-QGZVFWFLSA-N 2 2 397.567 3.185 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC000276535218 1435216257 /nfs/dbraw/zinc/21/62/57/1435216257.db2.gz DBULAXOGWARZBU-QZTJIDSGSA-N 2 2 393.531 3.236 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276622220 1435221230 /nfs/dbraw/zinc/22/12/30/1435221230.db2.gz MRQFXPOMFISSJH-UHFFFAOYSA-N 2 2 392.547 3.149 20 0 GGADLP C[C@@H](c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276867356 1435238638 /nfs/dbraw/zinc/23/86/38/1435238638.db2.gz DJAXLRLACWCPOL-ZACQAIPSSA-N 2 2 397.523 3.058 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277014681 1435252235 /nfs/dbraw/zinc/25/22/35/1435252235.db2.gz LXLKRMDVLFLQQB-HXUWFJFHSA-N 2 2 383.540 3.142 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277014681 1435252237 /nfs/dbraw/zinc/25/22/37/1435252237.db2.gz LXLKRMDVLFLQQB-HXUWFJFHSA-N 2 2 383.540 3.142 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277077870 1435259809 /nfs/dbraw/zinc/25/98/09/1435259809.db2.gz FBXDNSUVBDKYSC-QGZVFWFLSA-N 2 2 387.480 3.278 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc(=O)oc2c1 ZINC000277077870 1435259814 /nfs/dbraw/zinc/25/98/14/1435259814.db2.gz FBXDNSUVBDKYSC-QGZVFWFLSA-N 2 2 387.480 3.278 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000277080354 1435260009 /nfs/dbraw/zinc/26/00/09/1435260009.db2.gz UHUVBVFOGSYRMY-IBGZPJMESA-N 2 2 389.519 3.309 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000277100439 1435261872 /nfs/dbraw/zinc/26/18/72/1435261872.db2.gz WBMDCJPMULVQCX-INIZCTEOSA-N 2 2 377.558 3.232 20 0 GGADLP CC(C)n1ncc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)c(Cl)nc21 ZINC000277699391 1435322930 /nfs/dbraw/zinc/32/29/30/1435322930.db2.gz HZWGKIFEOFISQI-OAHLLOKOSA-N 2 2 379.936 3.256 20 0 GGADLP CC(C)n1ncc2cc(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)c(Cl)nc21 ZINC000277699391 1435322931 /nfs/dbraw/zinc/32/29/31/1435322931.db2.gz HZWGKIFEOFISQI-OAHLLOKOSA-N 2 2 379.936 3.256 20 0 GGADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000277929879 1435343258 /nfs/dbraw/zinc/34/32/58/1435343258.db2.gz FUJMBCDTHXTWBC-KRWDZBQOSA-N 2 2 388.537 3.307 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000278094495 1435358599 /nfs/dbraw/zinc/35/85/99/1435358599.db2.gz ISQGBIONSUKTHV-INIZCTEOSA-N 2 2 376.570 3.011 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1OC(C)C ZINC000278381921 1435385668 /nfs/dbraw/zinc/38/56/68/1435385668.db2.gz CZWNRQFCFWONQU-UHFFFAOYSA-N 2 2 376.545 3.272 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1OC(C)C ZINC000278381921 1435385670 /nfs/dbraw/zinc/38/56/70/1435385670.db2.gz CZWNRQFCFWONQU-UHFFFAOYSA-N 2 2 376.545 3.272 20 0 GGADLP Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000278392809 1435386898 /nfs/dbraw/zinc/38/68/98/1435386898.db2.gz DWFVVDOYARYABK-CTNGQTDRSA-N 2 2 398.595 3.441 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000278580999 1435402147 /nfs/dbraw/zinc/40/21/47/1435402147.db2.gz YEOMTQHXYPTSFV-DOTOQJQBSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000278580999 1435402148 /nfs/dbraw/zinc/40/21/48/1435402148.db2.gz YEOMTQHXYPTSFV-DOTOQJQBSA-N 2 2 375.513 3.027 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000278609586 1435405185 /nfs/dbraw/zinc/40/51/85/1435405185.db2.gz MMBZAXKXEDQIRX-PXNSSMCTSA-N 2 2 395.503 3.262 20 0 GGADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278798637 1435424696 /nfs/dbraw/zinc/42/46/96/1435424696.db2.gz FQTSZIOXVOWIEM-QGZVFWFLSA-N 2 2 396.535 3.112 20 0 GGADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278880135 1435434706 /nfs/dbraw/zinc/43/47/06/1435434706.db2.gz NCRUTQWBIYGZAD-MRXNPFEDSA-N 2 2 395.507 3.136 20 0 GGADLP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278919183 1435440128 /nfs/dbraw/zinc/44/01/28/1435440128.db2.gz RHJZCSVXLDGWTD-MRXNPFEDSA-N 2 2 377.496 3.136 20 0 GGADLP COc1cc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc(OC)c1 ZINC000278937934 1435442553 /nfs/dbraw/zinc/44/25/53/1435442553.db2.gz UEFNOBYXDDOZPQ-UHFFFAOYSA-N 2 2 398.507 3.055 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000279287401 1435482033 /nfs/dbraw/zinc/48/20/33/1435482033.db2.gz ULTTUPGJJPMJBW-OAQYLSRUSA-N 2 2 395.551 3.411 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000279287383 1435482043 /nfs/dbraw/zinc/48/20/43/1435482043.db2.gz ULTTUPGJJPMJBW-NRFANRHFSA-N 2 2 395.551 3.411 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000279783870 1435542588 /nfs/dbraw/zinc/54/25/88/1435542588.db2.gz CFKNRURHRTXBHT-OAQYLSRUSA-N 2 2 388.531 3.061 20 0 GGADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279791300 1435543981 /nfs/dbraw/zinc/54/39/81/1435543981.db2.gz YEBBZODFLLIOQY-ZRZAMGCNSA-N 2 2 386.499 3.135 20 0 GGADLP O=C(c1cccc(Cn2cc[nH+]c2)c1)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000279791300 1435543985 /nfs/dbraw/zinc/54/39/85/1435543985.db2.gz YEBBZODFLLIOQY-ZRZAMGCNSA-N 2 2 386.499 3.135 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000280105822 1435593340 /nfs/dbraw/zinc/59/33/40/1435593340.db2.gz BAMBKKUTZPOGSQ-UHFFFAOYSA-N 2 2 376.451 3.100 20 0 GGADLP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280978990 1435750394 /nfs/dbraw/zinc/75/03/94/1435750394.db2.gz WABISSHKZRYBHM-GOSISDBHSA-N 2 2 399.988 3.306 20 0 GGADLP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280978991 1435750667 /nfs/dbraw/zinc/75/06/67/1435750667.db2.gz WABISSHKZRYBHM-SFHVURJKSA-N 2 2 399.988 3.306 20 0 GGADLP Fc1cncc([C@@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)c1 ZINC000281134325 1435781263 /nfs/dbraw/zinc/78/12/63/1435781263.db2.gz FJGYQYDMYQKBOB-QFIPXVFZSA-N 2 2 385.483 3.173 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000281154632 1435785729 /nfs/dbraw/zinc/78/57/29/1435785729.db2.gz KFFLKDWCUTUNJM-KUHUBIRLSA-N 2 2 388.462 3.098 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000281154632 1435785739 /nfs/dbraw/zinc/78/57/39/1435785739.db2.gz KFFLKDWCUTUNJM-KUHUBIRLSA-N 2 2 388.462 3.098 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000281242278 1435800496 /nfs/dbraw/zinc/80/04/96/1435800496.db2.gz CYAWCZLEOBVTNW-KDURUIRLSA-N 2 2 388.556 3.245 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000281242278 1435800497 /nfs/dbraw/zinc/80/04/97/1435800497.db2.gz CYAWCZLEOBVTNW-KDURUIRLSA-N 2 2 388.556 3.245 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000281242292 1435800526 /nfs/dbraw/zinc/80/05/26/1435800526.db2.gz CYAWCZLEOBVTNW-RTBURBONSA-N 2 2 388.556 3.245 20 0 GGADLP Fc1cncc([C@@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CC2)c1 ZINC000281415075 1435808028 /nfs/dbraw/zinc/80/80/28/1435808028.db2.gz ZPASPYBYCVSXJO-QFIPXVFZSA-N 2 2 385.483 3.173 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000281636248 1435816597 /nfs/dbraw/zinc/81/65/97/1435816597.db2.gz VOIYLTZTGRRLCV-QFBILLFUSA-N 2 2 396.938 3.002 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 ZINC000281636248 1435816598 /nfs/dbraw/zinc/81/65/98/1435816598.db2.gz VOIYLTZTGRRLCV-QFBILLFUSA-N 2 2 396.938 3.002 20 0 GGADLP CSc1ccccc1[C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000281840833 1435823878 /nfs/dbraw/zinc/82/38/78/1435823878.db2.gz MXHXBXSLJIHNAC-INIZCTEOSA-N 2 2 390.597 3.327 20 0 GGADLP CSc1ccccc1[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000282004763 1435830676 /nfs/dbraw/zinc/83/06/76/1435830676.db2.gz QUDSKMVMCWEFAN-INIZCTEOSA-N 2 2 378.586 3.137 20 0 GGADLP CSc1ccccc1[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000282004763 1435830677 /nfs/dbraw/zinc/83/06/77/1435830677.db2.gz QUDSKMVMCWEFAN-INIZCTEOSA-N 2 2 378.586 3.137 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CC(C)(C)CC(=O)c3ccccc3)CC2)CC1 ZINC000282236725 1435839605 /nfs/dbraw/zinc/83/96/05/1435839605.db2.gz FEQXINGZJRRSEW-UHFFFAOYSA-N 2 2 399.579 3.351 20 0 GGADLP Cc1csc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc(=O)n12 ZINC000282487845 1435849010 /nfs/dbraw/zinc/84/90/10/1435849010.db2.gz MGAXREQXCLGGCQ-IBGZPJMESA-N 2 2 396.560 3.455 20 0 GGADLP Cc1csc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc(=O)n12 ZINC000282487845 1435849011 /nfs/dbraw/zinc/84/90/11/1435849011.db2.gz MGAXREQXCLGGCQ-IBGZPJMESA-N 2 2 396.560 3.455 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ncnn2C(C)(C)C)CC1 ZINC000283093323 1435874075 /nfs/dbraw/zinc/87/40/75/1435874075.db2.gz LJCKXWNSAIURGL-INIZCTEOSA-N 2 2 388.535 3.165 20 0 GGADLP CC(C)n1cnnc1[C@@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284032724 1435977014 /nfs/dbraw/zinc/97/70/14/1435977014.db2.gz ILOIHEDJYZQISO-YADHBBJMSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284032724 1435977015 /nfs/dbraw/zinc/97/70/15/1435977015.db2.gz ILOIHEDJYZQISO-YADHBBJMSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284032724 1435977016 /nfs/dbraw/zinc/97/70/16/1435977016.db2.gz ILOIHEDJYZQISO-YADHBBJMSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284032724 1435977017 /nfs/dbraw/zinc/97/70/17/1435977017.db2.gz ILOIHEDJYZQISO-YADHBBJMSA-N 2 2 397.567 3.330 20 0 GGADLP Cc1ccc2nc(C[NH2+][C@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cn2c1 ZINC000284159022 1436000333 /nfs/dbraw/zinc/00/03/33/1436000333.db2.gz ZUPMNSFKZPAAJY-QGZVFWFLSA-N 2 2 381.499 3.384 20 0 GGADLP Cc1ccc2nc(C[NH2+][C@@H](C)c3cc(F)ccc3N3CC[NH+](C)CC3)cn2c1 ZINC000284159014 1436000385 /nfs/dbraw/zinc/00/03/85/1436000385.db2.gz ZUPMNSFKZPAAJY-KRWDZBQOSA-N 2 2 381.499 3.384 20 0 GGADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc4ccc(OC)cc43)CC2)CC1 ZINC001164617859 719029881 /nfs/dbraw/zinc/02/98/81/719029881.db2.gz QAPJRKPMOWRWAF-UHFFFAOYSA-N 2 2 397.519 3.487 20 0 GGADLP CCOC(=O)C1CC[NH+](C2CCN(c3cc(C)[nH+]c(C(C)(C)C)n3)CC2)CC1 ZINC001164618619 719032492 /nfs/dbraw/zinc/03/24/92/719032492.db2.gz WASROARZJNRTDZ-UHFFFAOYSA-N 2 2 388.556 3.326 20 0 GGADLP CCOC(=O)C1CC[NH+](C2CCN(c3[nH+]ccc4c5c([nH]c43)CCC5)CC2)CC1 ZINC001164618604 719034447 /nfs/dbraw/zinc/03/44/47/719034447.db2.gz VLFRILRVFMNFAF-UHFFFAOYSA-N 2 2 396.535 3.296 20 0 GGADLP Cc1cc(N2CCCC2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164624774 719051232 /nfs/dbraw/zinc/05/12/32/719051232.db2.gz OYETVIWYMLONBQ-LEWJYISDSA-N 2 2 377.536 3.486 20 0 GGADLP Cc1cc(N2CCCC2)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164624774 719051235 /nfs/dbraw/zinc/05/12/35/719051235.db2.gz OYETVIWYMLONBQ-LEWJYISDSA-N 2 2 377.536 3.486 20 0 GGADLP [NH3+]C1CCN(c2cccc(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)[nH+]2)CC1 ZINC001164626722 719092106 /nfs/dbraw/zinc/09/21/06/719092106.db2.gz IOKXGACRBQYETL-UNMCSNQZSA-N 3 2 391.563 3.110 20 0 GGADLP [NH3+]C1CCN(c2cccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)[nH+]2)CC1 ZINC001164626722 719092112 /nfs/dbraw/zinc/09/21/12/719092112.db2.gz IOKXGACRBQYETL-UNMCSNQZSA-N 3 2 391.563 3.110 20 0 GGADLP CCOc1cc[nH+]c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164671175 719506043 /nfs/dbraw/zinc/50/60/43/719506043.db2.gz CHRKXVBDNLMCHN-UHFFFAOYSA-N 2 2 385.483 3.491 20 0 GGADLP CCOc1cc[nH+]c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164671175 719506052 /nfs/dbraw/zinc/50/60/52/719506052.db2.gz CHRKXVBDNLMCHN-UHFFFAOYSA-N 2 2 385.483 3.491 20 0 GGADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(NC4CC4)cc[nH+]2)CC3)cs1 ZINC001164690891 719803296 /nfs/dbraw/zinc/80/32/96/719803296.db2.gz BYUUDECHSABVSI-UHFFFAOYSA-N 2 2 384.553 3.451 20 0 GGADLP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(NC4CC4)cc[nH+]2)CC3)cs1 ZINC001164690891 719803300 /nfs/dbraw/zinc/80/33/00/719803300.db2.gz BYUUDECHSABVSI-UHFFFAOYSA-N 2 2 384.553 3.451 20 0 GGADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N(C)C)[nH+]c(C)n2)CC3)cs1 ZINC001164691779 719804560 /nfs/dbraw/zinc/80/45/60/719804560.db2.gz JXNSQYUTQIMKNV-UHFFFAOYSA-N 2 2 386.569 3.251 20 0 GGADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N(C)C)[nH+]c(C)n2)CC3)cs1 ZINC001164691779 719804561 /nfs/dbraw/zinc/80/45/61/719804561.db2.gz JXNSQYUTQIMKNV-UHFFFAOYSA-N 2 2 386.569 3.251 20 0 GGADLP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N(C)C)nc(C)[nH+]2)CC3)cs1 ZINC001164691779 719804563 /nfs/dbraw/zinc/80/45/63/719804563.db2.gz JXNSQYUTQIMKNV-UHFFFAOYSA-N 2 2 386.569 3.251 20 0 GGADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2cc(N(C)C)nc(C)[nH+]2)CC3)cs1 ZINC001164691779 719804566 /nfs/dbraw/zinc/80/45/66/719804566.db2.gz JXNSQYUTQIMKNV-UHFFFAOYSA-N 2 2 386.569 3.251 20 0 GGADLP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]cnc4c2ccn4C)CC3)cs1 ZINC001164693373 719805519 /nfs/dbraw/zinc/80/55/19/719805519.db2.gz SJOQFFRUGLZBMK-UHFFFAOYSA-N 2 2 382.537 3.368 20 0 GGADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]cnc4c2ccn4C)CC3)cs1 ZINC001164693373 719805522 /nfs/dbraw/zinc/80/55/22/719805522.db2.gz SJOQFFRUGLZBMK-UHFFFAOYSA-N 2 2 382.537 3.368 20 0 GGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)ccc1OC)CC2 ZINC001164716988 720116147 /nfs/dbraw/zinc/11/61/47/720116147.db2.gz MWNAIBQPSDCQKC-FQEVSTJZSA-N 2 2 396.535 3.301 20 0 GGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)ccc1OC)CC2 ZINC001164716988 720116152 /nfs/dbraw/zinc/11/61/52/720116152.db2.gz MWNAIBQPSDCQKC-FQEVSTJZSA-N 2 2 396.535 3.301 20 0 GGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001164714668 720148277 /nfs/dbraw/zinc/14/82/77/720148277.db2.gz XWGOBRXGRBIFHZ-OAQYLSRUSA-N 2 2 395.551 3.304 20 0 GGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C)[nH+]c(C)c1C)CC2 ZINC001164714668 720148283 /nfs/dbraw/zinc/14/82/83/720148283.db2.gz XWGOBRXGRBIFHZ-OAQYLSRUSA-N 2 2 395.551 3.304 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2[nH+]ccc3ccccc32)CC1 ZINC001164821366 720297935 /nfs/dbraw/zinc/29/79/35/720297935.db2.gz KIMXLNMWBMEROJ-RTWAWAEBSA-N 2 2 378.520 3.146 20 0 GGADLP CCSc1cc[nH+]c(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164824983 720350292 /nfs/dbraw/zinc/35/02/92/720350292.db2.gz IIUSSDWXEPPHLX-OALUTQOASA-N 2 2 388.581 3.105 20 0 GGADLP CCSc1cc[nH+]c(N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164824987 720350447 /nfs/dbraw/zinc/35/04/47/720350447.db2.gz IIUSSDWXEPPHLX-RTBURBONSA-N 2 2 388.581 3.105 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001164831651 720354452 /nfs/dbraw/zinc/35/44/52/720354452.db2.gz ZKZJBRDQFYYCRT-WOJBJXKFSA-N 2 2 384.568 3.291 20 0 GGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC(C)C ZINC001164837868 720504512 /nfs/dbraw/zinc/50/45/12/720504512.db2.gz QCHJSRSDRJRBKW-SLFFLAALSA-N 2 2 397.571 3.180 20 0 GGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC(C)C ZINC001164837868 720504525 /nfs/dbraw/zinc/50/45/25/720504525.db2.gz QCHJSRSDRJRBKW-SLFFLAALSA-N 2 2 397.571 3.180 20 0 GGADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(C(C)C)[nH+]1 ZINC001164833356 720511962 /nfs/dbraw/zinc/51/19/62/720511962.db2.gz DHJXYCJOTLTWFU-QKNQBKEWSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(C(C)C)[nH+]1 ZINC001164833356 720511967 /nfs/dbraw/zinc/51/19/67/720511967.db2.gz DHJXYCJOTLTWFU-QKNQBKEWSA-N 2 2 382.556 3.483 20 0 GGADLP COc1ccc2[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)cc(C)c2c1 ZINC001164730702 720565464 /nfs/dbraw/zinc/56/54/64/720565464.db2.gz YPIRECVSVUTSEW-UHFFFAOYSA-N 2 2 391.519 3.407 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C2CC2)[nH+]1 ZINC001164841310 720621859 /nfs/dbraw/zinc/62/18/59/720621859.db2.gz RVEDVPSDTVNPEA-VAMGGRTRSA-N 2 2 380.540 3.237 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C2CC2)[nH+]1 ZINC001164841310 720621864 /nfs/dbraw/zinc/62/18/64/720621864.db2.gz RVEDVPSDTVNPEA-VAMGGRTRSA-N 2 2 380.540 3.237 20 0 GGADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4[nH+]ccc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748917 720814564 /nfs/dbraw/zinc/81/45/64/720814564.db2.gz RVCJPFUFOWYBKT-RZUBCFFCSA-N 2 2 388.519 3.206 20 0 GGADLP c1ncn(C[C@@H]2C[C@@H]3CN(c4[nH+]ccc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748917 720814567 /nfs/dbraw/zinc/81/45/67/720814567.db2.gz RVCJPFUFOWYBKT-RZUBCFFCSA-N 2 2 388.519 3.206 20 0 GGADLP CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1 ZINC001164739782 720832253 /nfs/dbraw/zinc/83/22/53/720832253.db2.gz IKMNHPAAIFXAPP-QHAWAJNXSA-N 2 2 380.540 3.176 20 0 GGADLP CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1 ZINC001164739782 720832255 /nfs/dbraw/zinc/83/22/55/720832255.db2.gz IKMNHPAAIFXAPP-QHAWAJNXSA-N 2 2 380.540 3.176 20 0 GGADLP CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1 ZINC001164739776 720832384 /nfs/dbraw/zinc/83/23/84/720832384.db2.gz IKMNHPAAIFXAPP-NJDAHSKKSA-N 2 2 380.540 3.176 20 0 GGADLP CC(C)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1 ZINC001164739776 720832386 /nfs/dbraw/zinc/83/23/86/720832386.db2.gz IKMNHPAAIFXAPP-NJDAHSKKSA-N 2 2 380.540 3.176 20 0 GGADLP CC(C)(C)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1 ZINC001164749794 720860491 /nfs/dbraw/zinc/86/04/91/720860491.db2.gz OGJSNOJHLXRUFL-HMXCVIKNSA-N 2 2 394.567 3.350 20 0 GGADLP CC(C)(C)c1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1 ZINC001164749794 720860493 /nfs/dbraw/zinc/86/04/93/720860493.db2.gz OGJSNOJHLXRUFL-HMXCVIKNSA-N 2 2 394.567 3.350 20 0 GGADLP CC(C)(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1 ZINC001164749784 720860673 /nfs/dbraw/zinc/86/06/73/720860673.db2.gz OGJSNOJHLXRUFL-CEWLAPEOSA-N 2 2 394.567 3.350 20 0 GGADLP CC(C)(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1 ZINC001164749784 720860674 /nfs/dbraw/zinc/86/06/74/720860674.db2.gz OGJSNOJHLXRUFL-CEWLAPEOSA-N 2 2 394.567 3.350 20 0 GGADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC[C@@H]2C1 ZINC001164862108 720871083 /nfs/dbraw/zinc/87/10/83/720871083.db2.gz YVLUSRJMRMEWCN-TZIWHRDSSA-N 2 2 388.556 3.006 20 0 GGADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC[C@@H]2C1 ZINC001164862108 720871086 /nfs/dbraw/zinc/87/10/86/720871086.db2.gz YVLUSRJMRMEWCN-TZIWHRDSSA-N 2 2 388.556 3.006 20 0 GGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164857707 720957523 /nfs/dbraw/zinc/95/75/23/720957523.db2.gz GZPRXCJMEMGOPK-INIZCTEOSA-N 2 2 385.512 3.103 20 0 GGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164857707 720957528 /nfs/dbraw/zinc/95/75/28/720957528.db2.gz GZPRXCJMEMGOPK-INIZCTEOSA-N 2 2 385.512 3.103 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)[C@@H]2C ZINC001164859471 721012275 /nfs/dbraw/zinc/01/22/75/721012275.db2.gz IJYYISSNNYTSJP-QZTJIDSGSA-N 2 2 397.571 3.331 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)[C@@H]2C ZINC001164859471 721012282 /nfs/dbraw/zinc/01/22/82/721012282.db2.gz IJYYISSNNYTSJP-QZTJIDSGSA-N 2 2 397.571 3.331 20 0 GGADLP C[NH+]1CCN(c2cccc(N3CCC[C@]4(C[C@H](c5ccccc5)CO4)C3)[nH+]2)CC1 ZINC001164764973 721060121 /nfs/dbraw/zinc/06/01/21/721060121.db2.gz BYWULGBPBRCHLF-URXFXBBRSA-N 2 2 392.547 3.377 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1F ZINC001164765054 721238238 /nfs/dbraw/zinc/23/82/38/721238238.db2.gz QOEWOZUVIHCCAN-ROUUACIJSA-N 2 2 395.482 3.074 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c2cc1F ZINC001164765054 721238244 /nfs/dbraw/zinc/23/82/44/721238244.db2.gz QOEWOZUVIHCCAN-ROUUACIJSA-N 2 2 395.482 3.074 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1F ZINC001164765045 721238827 /nfs/dbraw/zinc/23/88/27/721238827.db2.gz QOEWOZUVIHCCAN-QZTJIDSGSA-N 2 2 395.482 3.074 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1F ZINC001164765045 721238834 /nfs/dbraw/zinc/23/88/34/721238834.db2.gz QOEWOZUVIHCCAN-QZTJIDSGSA-N 2 2 395.482 3.074 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1F ZINC001164765036 721238949 /nfs/dbraw/zinc/23/89/49/721238949.db2.gz QOEWOZUVIHCCAN-MSOLQXFVSA-N 2 2 395.482 3.074 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1F ZINC001164765036 721238952 /nfs/dbraw/zinc/23/89/52/721238952.db2.gz QOEWOZUVIHCCAN-MSOLQXFVSA-N 2 2 395.482 3.074 20 0 GGADLP Cc1cccc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164898694 721442995 /nfs/dbraw/zinc/44/29/95/721442995.db2.gz WMAGQCBZJJEZOD-ZJSXRUAMSA-N 2 2 394.563 3.309 20 0 GGADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(C(C)C)[nH+]1 ZINC001164806136 721530218 /nfs/dbraw/zinc/53/02/18/721530218.db2.gz OFDVYBGCBVSVBB-ONTIZHBOSA-N 2 2 381.524 3.172 20 0 GGADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)cc(C(C)C)[nH+]1 ZINC001164806136 721530221 /nfs/dbraw/zinc/53/02/21/721530221.db2.gz OFDVYBGCBVSVBB-ONTIZHBOSA-N 2 2 381.524 3.172 20 0 GGADLP CCCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(C)[nH+]1 ZINC001164810444 721566555 /nfs/dbraw/zinc/56/65/55/721566555.db2.gz YJHVNJCNRRJSAQ-JAXLGGSGSA-N 2 2 381.524 3.001 20 0 GGADLP CCCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)nc(C)[nH+]1 ZINC001164810444 721566560 /nfs/dbraw/zinc/56/65/60/721566560.db2.gz YJHVNJCNRRJSAQ-JAXLGGSGSA-N 2 2 381.524 3.001 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc[nH+]1 ZINC001165027146 721818323 /nfs/dbraw/zinc/81/83/23/721818323.db2.gz SNQINJMXXVGAPF-SESVDKBCSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc[nH+]1 ZINC001165027146 721818324 /nfs/dbraw/zinc/81/83/24/721818324.db2.gz SNQINJMXXVGAPF-SESVDKBCSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]cn1 ZINC001165027146 721818326 /nfs/dbraw/zinc/81/83/26/721818326.db2.gz SNQINJMXXVGAPF-SESVDKBCSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]cn1 ZINC001165027146 721818328 /nfs/dbraw/zinc/81/83/28/721818328.db2.gz SNQINJMXXVGAPF-SESVDKBCSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc[nH+]1 ZINC001165027145 721818433 /nfs/dbraw/zinc/81/84/33/721818433.db2.gz SNQINJMXXVGAPF-JBACZVJFSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc[nH+]1 ZINC001165027145 721818436 /nfs/dbraw/zinc/81/84/36/721818436.db2.gz SNQINJMXXVGAPF-JBACZVJFSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]cn1 ZINC001165027145 721818438 /nfs/dbraw/zinc/81/84/38/721818438.db2.gz SNQINJMXXVGAPF-JBACZVJFSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]cn1 ZINC001165027145 721818441 /nfs/dbraw/zinc/81/84/41/721818441.db2.gz SNQINJMXXVGAPF-JBACZVJFSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc[nH+]1 ZINC001165027147 721818566 /nfs/dbraw/zinc/81/85/66/721818566.db2.gz SNQINJMXXVGAPF-TYPHKJRUSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc[nH+]1 ZINC001165027147 721818567 /nfs/dbraw/zinc/81/85/67/721818567.db2.gz SNQINJMXXVGAPF-TYPHKJRUSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]cn1 ZINC001165027147 721818570 /nfs/dbraw/zinc/81/85/70/721818570.db2.gz SNQINJMXXVGAPF-TYPHKJRUSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]cn1 ZINC001165027147 721818572 /nfs/dbraw/zinc/81/85/72/721818572.db2.gz SNQINJMXXVGAPF-TYPHKJRUSA-N 2 2 394.567 3.455 20 0 GGADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c2c([nH+]1)CCC2 ZINC001165024926 721820196 /nfs/dbraw/zinc/82/01/96/721820196.db2.gz LIONJSZYOLRDGD-RBDMOPTHSA-N 2 2 377.536 3.406 20 0 GGADLP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c2c([nH+]1)CCC2 ZINC001165024926 721820198 /nfs/dbraw/zinc/82/01/98/721820198.db2.gz LIONJSZYOLRDGD-RBDMOPTHSA-N 2 2 377.536 3.406 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021416 721821400 /nfs/dbraw/zinc/82/14/00/721821400.db2.gz FMRWHXWRMGDOFX-JBACZVJFSA-N 2 2 393.535 3.480 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021416 721821401 /nfs/dbraw/zinc/82/14/01/721821401.db2.gz FMRWHXWRMGDOFX-JBACZVJFSA-N 2 2 393.535 3.480 20 0 GGADLP CC[NH+](CC)C1CCN(c2cc(N3CCN(c4ccccc4)CC3)nc[nH+]2)CC1 ZINC001165054677 722006803 /nfs/dbraw/zinc/00/68/03/722006803.db2.gz XHRAONWSXULWHC-UHFFFAOYSA-N 2 2 394.567 3.114 20 0 GGADLP CC[NH+](CC)C1CCN(c2cc(N3CCN(c4ccccc4)CC3)[nH+]cn2)CC1 ZINC001165054677 722006805 /nfs/dbraw/zinc/00/68/05/722006805.db2.gz XHRAONWSXULWHC-UHFFFAOYSA-N 2 2 394.567 3.114 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955242 722021096 /nfs/dbraw/zinc/02/10/96/722021096.db2.gz BMSLBRMJBGFNJO-UHFFFAOYSA-N 2 2 379.508 3.236 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164955242 722021098 /nfs/dbraw/zinc/02/10/98/722021098.db2.gz BMSLBRMJBGFNJO-UHFFFAOYSA-N 2 2 379.508 3.236 20 0 GGADLP Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C2CC2)[nH+]1 ZINC001164961665 722060525 /nfs/dbraw/zinc/06/05/25/722060525.db2.gz NSLOYQUULUULPN-UHFFFAOYSA-N 2 2 393.535 3.176 20 0 GGADLP Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(C2CC2)[nH+]1 ZINC001164961665 722060526 /nfs/dbraw/zinc/06/05/26/722060526.db2.gz NSLOYQUULUULPN-UHFFFAOYSA-N 2 2 393.535 3.176 20 0 GGADLP Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001164973245 722145862 /nfs/dbraw/zinc/14/58/62/722145862.db2.gz BNYMBNDBPMLAGI-UXHICEINSA-N 2 2 395.551 3.205 20 0 GGADLP Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001164973245 722145864 /nfs/dbraw/zinc/14/58/64/722145864.db2.gz BNYMBNDBPMLAGI-UXHICEINSA-N 2 2 395.551 3.205 20 0 GGADLP CS[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826226951 947668130 /nfs/dbraw/zinc/66/81/30/947668130.db2.gz JBPZBYLFDASJMX-OALUTQOASA-N 2 2 386.569 3.095 20 0 GGADLP c1cnc2c(c1)cccc2C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826525730 948463289 /nfs/dbraw/zinc/46/32/89/948463289.db2.gz WUNPCDUFJNDEJS-UHFFFAOYSA-N 2 2 399.502 3.169 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245452115 231041451 /nfs/dbraw/zinc/04/14/51/231041451.db2.gz QBLSRVOHPFEDCH-UYAOXDASSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245452115 231041453 /nfs/dbraw/zinc/04/14/53/231041453.db2.gz QBLSRVOHPFEDCH-UYAOXDASSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1F)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245452115 231041455 /nfs/dbraw/zinc/04/14/55/231041455.db2.gz QBLSRVOHPFEDCH-UYAOXDASSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1F)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245452115 231041458 /nfs/dbraw/zinc/04/14/58/231041458.db2.gz QBLSRVOHPFEDCH-UYAOXDASSA-N 2 2 383.511 3.284 20 0 GGADLP FC(F)(F)c1cn2c(n1)CC[C@@H](C[NH2+]C1CC[NH+](Cc3cccnc3)CC1)C2 ZINC000328626494 212087656 /nfs/dbraw/zinc/08/76/56/212087656.db2.gz FDQJVGADDMMXRK-INIZCTEOSA-N 2 2 393.457 3.114 20 0 GGADLP COc1ccc(C[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C2CC2)cc1 ZINC000007662292 221004790 /nfs/dbraw/zinc/00/47/90/221004790.db2.gz PRBBSPHSMIPPQX-UHFFFAOYSA-N 2 2 399.560 3.066 20 0 GGADLP COc1ccc(C[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)C2CC2)cc1 ZINC000007662292 221004793 /nfs/dbraw/zinc/00/47/93/221004793.db2.gz PRBBSPHSMIPPQX-UHFFFAOYSA-N 2 2 399.560 3.066 20 0 GGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394636468 565572412 /nfs/dbraw/zinc/57/24/12/565572412.db2.gz PBROSMJBYBEXIN-NSHDSACASA-N 2 2 391.151 3.427 20 0 GGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394636468 565572417 /nfs/dbraw/zinc/57/24/17/565572417.db2.gz PBROSMJBYBEXIN-NSHDSACASA-N 2 2 391.151 3.427 20 0 GGADLP Oc1ccc(CNc2[nH+]cnc3c2cnn3-c2cc[nH+]cc2)cc1Br ZINC000119820299 564290067 /nfs/dbraw/zinc/29/00/67/564290067.db2.gz WYSKCNIGLKCKMO-UHFFFAOYSA-N 2 2 397.236 3.291 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(F)c(Br)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000030903784 564384934 /nfs/dbraw/zinc/38/49/34/564384934.db2.gz MUDQSLXIFSCSMC-QGZVFWFLSA-N 2 2 393.300 3.097 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(F)c(Br)c1)C[N@H+]1CCc2ccccc2C1 ZINC000030903784 564384938 /nfs/dbraw/zinc/38/49/38/564384938.db2.gz MUDQSLXIFSCSMC-QGZVFWFLSA-N 2 2 393.300 3.097 20 0 GGADLP COC(=O)[C@@H](c1cccc(Br)c1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000122301097 564408102 /nfs/dbraw/zinc/40/81/02/564408102.db2.gz BFOODQYGNKUZBE-MRXNPFEDSA-N 2 2 380.286 3.190 20 0 GGADLP COC(=O)[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000122301097 564408105 /nfs/dbraw/zinc/40/81/05/564408105.db2.gz BFOODQYGNKUZBE-MRXNPFEDSA-N 2 2 380.286 3.190 20 0 GGADLP C[NH+](C)CCCC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000123674290 564457041 /nfs/dbraw/zinc/45/70/41/564457041.db2.gz XNMCQPDRGLTSSI-KRWDZBQOSA-N 2 2 382.346 3.029 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000123806392 564462640 /nfs/dbraw/zinc/46/26/40/564462640.db2.gz ZLYBMSXJTXBHCO-AWEZNQCLSA-N 2 2 391.313 3.076 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000123806392 564462642 /nfs/dbraw/zinc/46/26/42/564462642.db2.gz ZLYBMSXJTXBHCO-AWEZNQCLSA-N 2 2 391.313 3.076 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000046088975 564494808 /nfs/dbraw/zinc/49/48/08/564494808.db2.gz GPJHWVJMTANMQX-GOSISDBHSA-N 2 2 375.563 3.291 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)N1CC[NH+](Cc2cccs2)CC1 ZINC000046088975 564494811 /nfs/dbraw/zinc/49/48/11/564494811.db2.gz GPJHWVJMTANMQX-GOSISDBHSA-N 2 2 375.563 3.291 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+]1C ZINC000049068360 564548625 /nfs/dbraw/zinc/54/86/25/564548625.db2.gz ZSSXRMPGCHBDMD-LBPRGKRZSA-N 2 2 392.135 3.404 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+]1C ZINC000049068360 564548631 /nfs/dbraw/zinc/54/86/31/564548631.db2.gz ZSSXRMPGCHBDMD-LBPRGKRZSA-N 2 2 392.135 3.404 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000127284892 564579201 /nfs/dbraw/zinc/57/92/01/564579201.db2.gz ASSCSCXPAMJMDY-UHFFFAOYSA-N 2 2 381.307 3.346 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 ZINC000127305958 564580405 /nfs/dbraw/zinc/58/04/05/564580405.db2.gz VAUUUMVSLKILLY-UHFFFAOYSA-N 2 2 381.307 3.346 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000128129421 564607154 /nfs/dbraw/zinc/60/71/54/564607154.db2.gz KUSJOBDDQDDAAX-RYUDHWBXSA-N 2 2 376.303 3.371 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000128129421 564607161 /nfs/dbraw/zinc/60/71/61/564607161.db2.gz KUSJOBDDQDDAAX-RYUDHWBXSA-N 2 2 376.303 3.371 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000128129639 564607593 /nfs/dbraw/zinc/60/75/93/564607593.db2.gz KUSJOBDDQDDAAX-NEPJUHHUSA-N 2 2 376.303 3.371 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000128129639 564607596 /nfs/dbraw/zinc/60/75/96/564607596.db2.gz KUSJOBDDQDDAAX-NEPJUHHUSA-N 2 2 376.303 3.371 20 0 GGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1Br ZINC000128223269 564611375 /nfs/dbraw/zinc/61/13/75/564611375.db2.gz XUIBZAMJRRTALR-YOEHRIQHSA-N 2 2 382.346 3.077 20 0 GGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1Br ZINC000128223269 564611378 /nfs/dbraw/zinc/61/13/78/564611378.db2.gz XUIBZAMJRRTALR-YOEHRIQHSA-N 2 2 382.346 3.077 20 0 GGADLP C[C@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000129404900 564647169 /nfs/dbraw/zinc/64/71/69/564647169.db2.gz RAXZHWARCTUUAY-RYUDHWBXSA-N 2 2 392.257 3.372 20 0 GGADLP C[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000129404900 564647176 /nfs/dbraw/zinc/64/71/76/564647176.db2.gz RAXZHWARCTUUAY-RYUDHWBXSA-N 2 2 392.257 3.372 20 0 GGADLP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+]1CCSCC1 ZINC000130659452 564689270 /nfs/dbraw/zinc/68/92/70/564689270.db2.gz LNVNQNJYRYEQNY-IAGOWNOFSA-N 2 2 381.611 3.075 20 0 GGADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131714367 564721304 /nfs/dbraw/zinc/72/13/04/564721304.db2.gz GSDMOZJTGTWDMU-ZBFHGGJFSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131714367 564721310 /nfs/dbraw/zinc/72/13/10/564721310.db2.gz GSDMOZJTGTWDMU-ZBFHGGJFSA-N 2 2 383.275 3.281 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000134675697 564811397 /nfs/dbraw/zinc/81/13/97/564811397.db2.gz OQNQLVPHHUXWPA-ZWKOTPCHSA-N 2 2 394.357 3.042 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000134675722 564811503 /nfs/dbraw/zinc/81/15/03/564811503.db2.gz OQNQLVPHHUXWPA-QZTJIDSGSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092566033 564878643 /nfs/dbraw/zinc/87/86/43/564878643.db2.gz NKYHBGVRIXTPST-LBPRGKRZSA-N 2 2 393.272 3.251 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(OC)c1 ZINC000092648481 564879986 /nfs/dbraw/zinc/87/99/86/564879986.db2.gz RBEUUKMVYCOXFQ-UHFFFAOYSA-N 2 2 380.286 3.500 20 0 GGADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000093147457 564885332 /nfs/dbraw/zinc/88/53/32/564885332.db2.gz NBTQDRYNQDWODY-KRWDZBQOSA-N 2 2 376.595 3.474 20 0 GGADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000093147457 564885336 /nfs/dbraw/zinc/88/53/36/564885336.db2.gz NBTQDRYNQDWODY-KRWDZBQOSA-N 2 2 376.595 3.474 20 0 GGADLP Brc1ccc2[nH+]cc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)n2c1 ZINC000093683403 564889135 /nfs/dbraw/zinc/88/91/35/564889135.db2.gz VPQHUDPNZXBUQC-HNNXBMFYSA-N 2 2 377.330 3.405 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000150793281 564891189 /nfs/dbraw/zinc/89/11/89/564891189.db2.gz WJXFNYRHFGNOLG-JKSUJKDBSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000150793281 564891192 /nfs/dbraw/zinc/89/11/92/564891192.db2.gz WJXFNYRHFGNOLG-JKSUJKDBSA-N 2 2 394.357 3.044 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150815628 564892407 /nfs/dbraw/zinc/89/24/07/564892407.db2.gz GUXFLAVHPQMAIZ-OAHLLOKOSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150815628 564892410 /nfs/dbraw/zinc/89/24/10/564892410.db2.gz GUXFLAVHPQMAIZ-OAHLLOKOSA-N 2 2 384.351 3.370 20 0 GGADLP O=[S@](CC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(Cl)ccc1Cl ZINC000151346390 564916344 /nfs/dbraw/zinc/91/63/44/564916344.db2.gz NGXOMDNULYODFJ-DEOSSOPVSA-N 2 2 384.332 3.318 20 0 GGADLP C[C@H]1C[NH+](CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@H](C)O1 ZINC000102420498 564929303 /nfs/dbraw/zinc/92/93/03/564929303.db2.gz MFTJUHJUPQJNPY-GJZGRUSLSA-N 2 2 395.341 3.314 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152378259 564957258 /nfs/dbraw/zinc/95/72/58/564957258.db2.gz KGUVHXURVHMZTF-GFCCVEGCSA-N 2 2 375.847 3.154 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152378259 564957261 /nfs/dbraw/zinc/95/72/61/564957261.db2.gz KGUVHXURVHMZTF-GFCCVEGCSA-N 2 2 375.847 3.154 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152378259 564957264 /nfs/dbraw/zinc/95/72/64/564957264.db2.gz KGUVHXURVHMZTF-GFCCVEGCSA-N 2 2 375.847 3.154 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152378259 564957267 /nfs/dbraw/zinc/95/72/67/564957267.db2.gz KGUVHXURVHMZTF-GFCCVEGCSA-N 2 2 375.847 3.154 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152418297 564959080 /nfs/dbraw/zinc/95/90/80/564959080.db2.gz OKRQIYZCAPVPFG-NVXWUHKLSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152418297 564959083 /nfs/dbraw/zinc/95/90/83/564959083.db2.gz OKRQIYZCAPVPFG-NVXWUHKLSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152418297 564959086 /nfs/dbraw/zinc/95/90/86/564959086.db2.gz OKRQIYZCAPVPFG-NVXWUHKLSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152418297 564959089 /nfs/dbraw/zinc/95/90/89/564959089.db2.gz OKRQIYZCAPVPFG-NVXWUHKLSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152989689 564980918 /nfs/dbraw/zinc/98/09/18/564980918.db2.gz GMKIQAMSYXMHKN-CRAIPNDOSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152989689 564980920 /nfs/dbraw/zinc/98/09/20/564980920.db2.gz GMKIQAMSYXMHKN-CRAIPNDOSA-N 2 2 377.330 3.288 20 0 GGADLP COCCC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000153196641 564987810 /nfs/dbraw/zinc/98/78/10/564987810.db2.gz XIIGXLAOAVCOSB-VQIMIIECSA-N 2 2 399.373 3.475 20 0 GGADLP C[C@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCOCC1 ZINC000153295458 564991206 /nfs/dbraw/zinc/99/12/06/564991206.db2.gz DTFHEAITJVDRMZ-PBHICJAKSA-N 2 2 383.330 3.221 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795895 565031689 /nfs/dbraw/zinc/03/16/89/565031689.db2.gz NTJPRUUXQCTLQC-ZDUSSCGKSA-N 2 2 377.286 3.310 20 0 GGADLP Cc1nc(-c2ccccc2Br)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154267419 565031707 /nfs/dbraw/zinc/03/17/07/565031707.db2.gz DSWLPADUTDTURM-WCQYABFASA-N 2 2 398.370 3.454 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154278306 565032537 /nfs/dbraw/zinc/03/25/37/565032537.db2.gz JVQMWLHSEXRDFN-AWEZNQCLSA-N 2 2 375.314 3.290 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154278306 565032540 /nfs/dbraw/zinc/03/25/40/565032540.db2.gz JVQMWLHSEXRDFN-AWEZNQCLSA-N 2 2 375.314 3.290 20 0 GGADLP CCCC[N@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000154367412 565035908 /nfs/dbraw/zinc/03/59/08/565035908.db2.gz BYDCPCUSXWSIBN-SFHVURJKSA-N 2 2 396.373 3.419 20 0 GGADLP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000154367412 565035910 /nfs/dbraw/zinc/03/59/10/565035910.db2.gz BYDCPCUSXWSIBN-SFHVURJKSA-N 2 2 396.373 3.419 20 0 GGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1F)c1ccccc1Br ZINC000154398478 565037714 /nfs/dbraw/zinc/03/77/14/565037714.db2.gz MKSLNUAEYZQILP-DNVCBOLYSA-N 2 2 395.316 3.384 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243296 565051631 /nfs/dbraw/zinc/05/16/31/565051631.db2.gz JROJHWPLJHKOSF-CYBMUJFWSA-N 2 2 377.286 3.310 20 0 GGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000111241011 565052134 /nfs/dbraw/zinc/05/21/34/565052134.db2.gz VFMTTZXGDIWJKG-UHFFFAOYSA-N 2 2 396.373 3.214 20 0 GGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)CC1 ZINC000111241011 565052136 /nfs/dbraw/zinc/05/21/36/565052136.db2.gz VFMTTZXGDIWJKG-UHFFFAOYSA-N 2 2 396.373 3.214 20 0 GGADLP Brc1cccc(-c2c[nH]c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)n2)c1 ZINC000111383217 565054341 /nfs/dbraw/zinc/05/43/41/565054341.db2.gz NJAPSPKSCPPRNF-ZDUSSCGKSA-N 2 2 375.314 3.413 20 0 GGADLP Brc1cccc(-c2c[nH]c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)n2)c1 ZINC000111383217 565054345 /nfs/dbraw/zinc/05/43/45/565054345.db2.gz NJAPSPKSCPPRNF-ZDUSSCGKSA-N 2 2 375.314 3.413 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000154874229 565055747 /nfs/dbraw/zinc/05/57/47/565055747.db2.gz DLZJMXLIGQMTJH-KRWDZBQOSA-N 2 2 383.330 3.363 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1Br ZINC000155296448 565065683 /nfs/dbraw/zinc/06/56/83/565065683.db2.gz QCTRNGQQZBXDLQ-WMLDXEAASA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1Br ZINC000155296448 565065684 /nfs/dbraw/zinc/06/56/84/565065684.db2.gz QCTRNGQQZBXDLQ-WMLDXEAASA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1Cl ZINC000113439303 565069742 /nfs/dbraw/zinc/06/97/42/565069742.db2.gz IUAUPTSGMAUAKC-HNNXBMFYSA-N 2 2 386.367 3.441 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccc(Cl)cc1Cl ZINC000113439303 565069744 /nfs/dbraw/zinc/06/97/44/565069744.db2.gz IUAUPTSGMAUAKC-HNNXBMFYSA-N 2 2 386.367 3.441 20 0 GGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000155875929 565072539 /nfs/dbraw/zinc/07/25/39/565072539.db2.gz CEDZSSJCDBXOAU-CYBMUJFWSA-N 2 2 376.302 3.372 20 0 GGADLP C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274130 565084954 /nfs/dbraw/zinc/08/49/54/565084954.db2.gz MQDPNZBBXWQHLM-HUUCEWRRSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274130 565084960 /nfs/dbraw/zinc/08/49/60/565084960.db2.gz MQDPNZBBXWQHLM-HUUCEWRRSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156484174 565089623 /nfs/dbraw/zinc/08/96/23/565089623.db2.gz ZUGOHYWDZVKFJW-LRDDRELGSA-N 2 2 395.276 3.306 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C[C@@H]1n1cc[nH+]c1 ZINC000156484174 565089628 /nfs/dbraw/zinc/08/96/28/565089628.db2.gz ZUGOHYWDZVKFJW-LRDDRELGSA-N 2 2 395.276 3.306 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000156483782 565089798 /nfs/dbraw/zinc/08/97/98/565089798.db2.gz UVQJCYZROHYMLA-SUMWQHHRSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000156483782 565089801 /nfs/dbraw/zinc/08/98/01/565089801.db2.gz UVQJCYZROHYMLA-SUMWQHHRSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000156483907 565089892 /nfs/dbraw/zinc/08/98/92/565089892.db2.gz UVQJCYZROHYMLA-CXAGYDPISA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000156483907 565089896 /nfs/dbraw/zinc/08/98/96/565089896.db2.gz UVQJCYZROHYMLA-CXAGYDPISA-N 2 2 391.313 3.476 20 0 GGADLP CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374721 565091492 /nfs/dbraw/zinc/09/14/92/565091492.db2.gz UFKCUAGYRNFOJU-AWEZNQCLSA-N 2 2 384.977 3.102 20 0 GGADLP CCN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374721 565091495 /nfs/dbraw/zinc/09/14/95/565091495.db2.gz UFKCUAGYRNFOJU-AWEZNQCLSA-N 2 2 384.977 3.102 20 0 GGADLP C[C@H](C[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000183795649 565095246 /nfs/dbraw/zinc/09/52/46/565095246.db2.gz NXOUNUAZMPOIBW-DNVCBOLYSA-N 2 2 392.341 3.357 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000266929015 565096381 /nfs/dbraw/zinc/09/63/81/565096381.db2.gz OACOFDLQEVCCOG-UKRRQHHQSA-N 2 2 391.313 3.229 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000266929015 565096387 /nfs/dbraw/zinc/09/63/87/565096387.db2.gz OACOFDLQEVCCOG-UKRRQHHQSA-N 2 2 391.313 3.229 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000370081394 565126640 /nfs/dbraw/zinc/12/66/40/565126640.db2.gz FMKFEMDJCNIQJI-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000370081394 565126648 /nfs/dbraw/zinc/12/66/48/565126648.db2.gz FMKFEMDJCNIQJI-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000157703219 565141201 /nfs/dbraw/zinc/14/12/01/565141201.db2.gz DAEYNPLDRQDTRB-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000157703219 565141203 /nfs/dbraw/zinc/14/12/03/565141203.db2.gz DAEYNPLDRQDTRB-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157785635 565143912 /nfs/dbraw/zinc/14/39/12/565143912.db2.gz FCGIJZQRLAKPSE-CXAGYDPISA-N 2 2 380.330 3.240 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157785635 565143916 /nfs/dbraw/zinc/14/39/16/565143916.db2.gz FCGIJZQRLAKPSE-CXAGYDPISA-N 2 2 380.330 3.240 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000157966300 565151898 /nfs/dbraw/zinc/15/18/98/565151898.db2.gz PBMCUXJNVDFKTD-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157966300 565151903 /nfs/dbraw/zinc/15/19/03/565151903.db2.gz PBMCUXJNVDFKTD-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000370703928 565156821 /nfs/dbraw/zinc/15/68/21/565156821.db2.gz VPJRPPFGYSNZLP-KBXCAEBGSA-N 2 2 386.367 3.460 20 0 GGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1Cl ZINC000370703928 565156823 /nfs/dbraw/zinc/15/68/23/565156823.db2.gz VPJRPPFGYSNZLP-KBXCAEBGSA-N 2 2 386.367 3.460 20 0 GGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370702671 565156924 /nfs/dbraw/zinc/15/69/24/565156924.db2.gz QSXSNYUGVVQEQT-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370702671 565156930 /nfs/dbraw/zinc/15/69/30/565156930.db2.gz QSXSNYUGVVQEQT-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP CN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829460 565163691 /nfs/dbraw/zinc/16/36/91/565163691.db2.gz GRTCQVMHZZEEDA-CYBMUJFWSA-N 2 2 388.314 3.373 20 0 GGADLP CN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829460 565163695 /nfs/dbraw/zinc/16/36/95/565163695.db2.gz GRTCQVMHZZEEDA-CYBMUJFWSA-N 2 2 388.314 3.373 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@H](C)C1 ZINC000268760313 565166110 /nfs/dbraw/zinc/16/61/10/565166110.db2.gz LDUOWPZSTGQKHJ-ZWNOBZJWSA-N 2 2 375.826 3.221 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@H](C)C1 ZINC000268760313 565166116 /nfs/dbraw/zinc/16/61/16/565166116.db2.gz LDUOWPZSTGQKHJ-ZWNOBZJWSA-N 2 2 375.826 3.221 20 0 GGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1nnn(-c2cccc(Br)c2)c1C ZINC000268787558 565167541 /nfs/dbraw/zinc/16/75/41/565167541.db2.gz FDKYQYDCTWALHX-LBPRGKRZSA-N 2 2 389.301 3.194 20 0 GGADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1Br ZINC000158453529 565170368 /nfs/dbraw/zinc/17/03/68/565170368.db2.gz AJGPIFRQWILMON-HNNXBMFYSA-N 2 2 389.341 3.447 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000184991693 565170700 /nfs/dbraw/zinc/17/07/00/565170700.db2.gz WPYJRKHEROOIGC-SFHVURJKSA-N 2 2 394.357 3.327 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]21 ZINC000158526236 565172236 /nfs/dbraw/zinc/17/22/36/565172236.db2.gz DCNGSSMRVOXHNZ-NEPJUHHUSA-N 2 2 381.274 3.008 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]21 ZINC000158526236 565172238 /nfs/dbraw/zinc/17/22/38/565172238.db2.gz DCNGSSMRVOXHNZ-NEPJUHHUSA-N 2 2 381.274 3.008 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]21 ZINC000158526236 565172239 /nfs/dbraw/zinc/17/22/39/565172239.db2.gz DCNGSSMRVOXHNZ-NEPJUHHUSA-N 2 2 381.274 3.008 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nnc(-c4ccc(Br)o4)o3)CC[C@@H]21 ZINC000158526236 565172240 /nfs/dbraw/zinc/17/22/40/565172240.db2.gz DCNGSSMRVOXHNZ-NEPJUHHUSA-N 2 2 381.274 3.008 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc(Br)c3c(c1)OCCO3)CCC2 ZINC000371068877 565176647 /nfs/dbraw/zinc/17/66/47/565176647.db2.gz JOLBFBWYFBBRQB-AWEZNQCLSA-N 2 2 392.297 3.392 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)cc3Br)C2)CC1 ZINC000371105155 565177458 /nfs/dbraw/zinc/17/74/58/565177458.db2.gz ZZDJCDHIDFAFAP-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)cc3Br)C2)CC1 ZINC000371105155 565177466 /nfs/dbraw/zinc/17/74/66/565177466.db2.gz ZZDJCDHIDFAFAP-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP COc1ccc(Br)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301424 565185368 /nfs/dbraw/zinc/18/53/68/565185368.db2.gz UIELDPSEKMNWJL-LZLYRXPVSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371301424 565185370 /nfs/dbraw/zinc/18/53/70/565185370.db2.gz UIELDPSEKMNWJL-LZLYRXPVSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000371300532 565185877 /nfs/dbraw/zinc/18/58/77/565185877.db2.gz PKTQCYZMYOBYNS-QILLFSRXSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1Br ZINC000371300532 565185882 /nfs/dbraw/zinc/18/58/82/565185882.db2.gz PKTQCYZMYOBYNS-QILLFSRXSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371301425 565186142 /nfs/dbraw/zinc/18/61/42/565186142.db2.gz UIELDPSEKMNWJL-SOLBZPMBSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371301425 565186151 /nfs/dbraw/zinc/18/61/51/565186151.db2.gz UIELDPSEKMNWJL-SOLBZPMBSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000371333105 565187581 /nfs/dbraw/zinc/18/75/81/565187581.db2.gz CKLJFRJCLYRFFZ-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000158954436 565188300 /nfs/dbraw/zinc/18/83/00/565188300.db2.gz YQVNOBZASFCINF-WBVHZDCISA-N 2 2 384.351 3.068 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000158954436 565188306 /nfs/dbraw/zinc/18/83/06/565188306.db2.gz YQVNOBZASFCINF-WBVHZDCISA-N 2 2 384.351 3.068 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000158954436 565188312 /nfs/dbraw/zinc/18/83/12/565188312.db2.gz YQVNOBZASFCINF-WBVHZDCISA-N 2 2 384.351 3.068 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000158954436 565188315 /nfs/dbraw/zinc/18/83/15/565188315.db2.gz YQVNOBZASFCINF-WBVHZDCISA-N 2 2 384.351 3.068 20 0 GGADLP C[C@@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371342328 565188957 /nfs/dbraw/zinc/18/89/57/565188957.db2.gz XCRAEGOJHCOREM-CRAIPNDOSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371342328 565188958 /nfs/dbraw/zinc/18/89/58/565188958.db2.gz XCRAEGOJHCOREM-CRAIPNDOSA-N 2 2 376.595 3.329 20 0 GGADLP O=C(Nc1ccc(Br)cc1)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000371472056 565194909 /nfs/dbraw/zinc/19/49/09/565194909.db2.gz CCLNWZJSLMQGJE-UHFFFAOYSA-N 2 2 391.313 3.386 20 0 GGADLP C[C@]([NH3+])(C(=O)NCCCCNc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000294045030 565194895 /nfs/dbraw/zinc/19/48/95/565194895.db2.gz IUZKVPHRVNCLGU-GOSISDBHSA-N 2 2 391.313 3.027 20 0 GGADLP CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185753291 565220286 /nfs/dbraw/zinc/22/02/86/565220286.db2.gz OIPAQAWFSOSZBQ-LBPRGKRZSA-N 2 2 391.151 3.368 20 0 GGADLP CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000185753291 565220292 /nfs/dbraw/zinc/22/02/92/565220292.db2.gz OIPAQAWFSOSZBQ-LBPRGKRZSA-N 2 2 391.151 3.368 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271717640 565266139 /nfs/dbraw/zinc/26/61/39/565266139.db2.gz CJEHQPQNNGROPS-MRXNPFEDSA-N 2 2 389.323 3.034 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100557 565269535 /nfs/dbraw/zinc/26/95/35/565269535.db2.gz SKQNLUUHTOOEEQ-BBRMVZONSA-N 2 2 382.277 3.235 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100557 565269537 /nfs/dbraw/zinc/26/95/37/565269537.db2.gz SKQNLUUHTOOEEQ-BBRMVZONSA-N 2 2 382.277 3.235 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cc(F)ncc3F)[nH+]c12 ZINC000295557054 565274056 /nfs/dbraw/zinc/27/40/56/565274056.db2.gz YSHWWHUMXYHXDO-UHFFFAOYSA-N 2 2 381.224 3.411 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1O ZINC000373234591 565275187 /nfs/dbraw/zinc/27/51/87/565275187.db2.gz YTJJCKRSVKYJSB-GFCCVEGCSA-N 2 2 380.286 3.276 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@@H](c3[nH+]ccn3C)C2)cc1O ZINC000373234591 565275189 /nfs/dbraw/zinc/27/51/89/565275189.db2.gz YTJJCKRSVKYJSB-GFCCVEGCSA-N 2 2 380.286 3.276 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1O ZINC000373234594 565275729 /nfs/dbraw/zinc/27/57/29/565275729.db2.gz YTJJCKRSVKYJSB-LBPRGKRZSA-N 2 2 380.286 3.276 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@H](c3[nH+]ccn3C)C2)cc1O ZINC000373234594 565275730 /nfs/dbraw/zinc/27/57/30/565275730.db2.gz YTJJCKRSVKYJSB-LBPRGKRZSA-N 2 2 380.286 3.276 20 0 GGADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000373368099 565281593 /nfs/dbraw/zinc/28/15/93/565281593.db2.gz CTOKSTABMHDMTK-CQSZACIVSA-N 2 2 376.492 3.071 20 0 GGADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000373368099 565281597 /nfs/dbraw/zinc/28/15/97/565281597.db2.gz CTOKSTABMHDMTK-CQSZACIVSA-N 2 2 376.492 3.071 20 0 GGADLP O=C(NCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1Cl ZINC000272624452 565291740 /nfs/dbraw/zinc/29/17/40/565291740.db2.gz YYURODJRMMNSPI-UHFFFAOYSA-N 2 2 377.838 3.076 20 0 GGADLP Cc1cc(Br)cn2c(C[N@@H+]3CCS[C@@H]4COCC[C@@H]43)c[nH+]c12 ZINC000273221473 565313316 /nfs/dbraw/zinc/31/33/16/565313316.db2.gz VKUZSNRNZDGRIM-LSDHHAIUSA-N 2 2 382.327 3.112 20 0 GGADLP Cc1cc(Br)cn2c(C[N@H+]3CCS[C@@H]4COCC[C@@H]43)c[nH+]c12 ZINC000273221473 565313318 /nfs/dbraw/zinc/31/33/18/565313318.db2.gz VKUZSNRNZDGRIM-LSDHHAIUSA-N 2 2 382.327 3.112 20 0 GGADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000187250874 565319097 /nfs/dbraw/zinc/31/90/97/565319097.db2.gz IZOHHGPULPBAKY-AWEZNQCLSA-N 2 2 383.330 3.048 20 0 GGADLP CC[C@H]([NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)c1nccn1C ZINC000273395197 565319174 /nfs/dbraw/zinc/31/91/74/565319174.db2.gz FGHKKZNWCCRCGH-HNNXBMFYSA-N 2 2 376.302 3.422 20 0 GGADLP COCc1ccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)o1 ZINC000273532457 565324832 /nfs/dbraw/zinc/32/48/32/565324832.db2.gz VISQSQPHOXVMBD-UHFFFAOYSA-N 2 2 378.270 3.477 20 0 GGADLP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ncc(Br)cc1F ZINC000187409042 565330447 /nfs/dbraw/zinc/33/04/47/565330447.db2.gz GXTIZSKPSRSVNM-GFCCVEGCSA-N 2 2 397.292 3.169 20 0 GGADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccc(Br)c1 ZINC000374347367 565333796 /nfs/dbraw/zinc/33/37/96/565333796.db2.gz VJFGZTVCQAJKBK-IBGZPJMESA-N 2 2 390.325 3.132 20 0 GGADLP Clc1cnc(NCC[NH2+]C2CC[NH+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000163151654 565337373 /nfs/dbraw/zinc/33/73/73/565337373.db2.gz BBUJUZUVIYAMQE-UHFFFAOYSA-N 2 2 380.323 3.450 20 0 GGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000163710252 565349413 /nfs/dbraw/zinc/34/94/13/565349413.db2.gz WUQRIRNVJGIUKS-OAHLLOKOSA-N 2 2 390.325 3.151 20 0 GGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000163710252 565349418 /nfs/dbraw/zinc/34/94/18/565349418.db2.gz WUQRIRNVJGIUKS-OAHLLOKOSA-N 2 2 390.325 3.151 20 0 GGADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cc(Cl)ccc1Cl ZINC000187714509 565350338 /nfs/dbraw/zinc/35/03/38/565350338.db2.gz BWOSPUQPOQIVEP-ZDUSSCGKSA-N 2 2 387.355 3.380 20 0 GGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000163721929 565351318 /nfs/dbraw/zinc/35/13/18/565351318.db2.gz PHNBWHDRBWQCTR-QGZVFWFLSA-N 2 2 383.330 3.363 20 0 GGADLP COC1CC[NH+](CC[NH2+][C@@H](C)c2ccc(I)cc2)CC1 ZINC000163728363 565351439 /nfs/dbraw/zinc/35/14/39/565351439.db2.gz RNIPSMYCHFFMAJ-ZDUSSCGKSA-N 2 2 388.293 3.053 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]C3CCC4(CC3)OCCO4)[nH+]c12 ZINC000274172122 565359917 /nfs/dbraw/zinc/35/99/17/565359917.db2.gz BWEOGYAZHZUVPN-UHFFFAOYSA-N 2 2 394.313 3.223 20 0 GGADLP CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000164879102 565363894 /nfs/dbraw/zinc/36/38/94/565363894.db2.gz DZRHPSRQWDRDNU-IRXDYDNUSA-N 2 2 377.941 3.354 20 0 GGADLP CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000164879102 565363897 /nfs/dbraw/zinc/36/38/97/565363897.db2.gz DZRHPSRQWDRDNU-IRXDYDNUSA-N 2 2 377.941 3.354 20 0 GGADLP COCCC[C@H]([NH2+][C@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297355362 565369180 /nfs/dbraw/zinc/36/91/80/565369180.db2.gz PJGLJSKXTDDSAO-OALUTQOASA-N 2 2 399.373 3.353 20 0 GGADLP COCCC[C@H]([NH2+][C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297355362 565369182 /nfs/dbraw/zinc/36/91/82/565369182.db2.gz PJGLJSKXTDDSAO-OALUTQOASA-N 2 2 399.373 3.353 20 0 GGADLP Clc1ccc(C[NH+]2CCC([NH2+]CCc3cn4c(n3)SCC4)CC2)cc1 ZINC000274453812 565371143 /nfs/dbraw/zinc/37/11/43/565371143.db2.gz ZISNPSJSEWMXTA-UHFFFAOYSA-N 2 2 376.957 3.439 20 0 GGADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc(C(F)(F)F)cs3)CC2)CC1 ZINC000375234401 565376871 /nfs/dbraw/zinc/37/68/71/565376871.db2.gz QUVCBCSOOQTGSJ-UHFFFAOYSA-N 2 2 376.492 3.011 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375317163 565380483 /nfs/dbraw/zinc/38/04/83/565380483.db2.gz FVOQELODEXYTIU-ZDUSSCGKSA-N 2 2 391.313 3.489 20 0 GGADLP C[NH+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000170756967 565390979 /nfs/dbraw/zinc/39/09/79/565390979.db2.gz PRMFFIWJEFFCDX-QGZVFWFLSA-N 2 2 377.941 3.179 20 0 GGADLP C[NH+](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000170756967 565390984 /nfs/dbraw/zinc/39/09/84/565390984.db2.gz PRMFFIWJEFFCDX-QGZVFWFLSA-N 2 2 377.941 3.179 20 0 GGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000170780069 565392294 /nfs/dbraw/zinc/39/22/94/565392294.db2.gz KQPLWRYNOXNBGR-GASCZTMLSA-N 2 2 382.346 3.165 20 0 GGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000170780069 565392301 /nfs/dbraw/zinc/39/23/01/565392301.db2.gz KQPLWRYNOXNBGR-GASCZTMLSA-N 2 2 382.346 3.165 20 0 GGADLP C[C@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376203338 565426601 /nfs/dbraw/zinc/42/66/01/565426601.db2.gz MQJWRPVCGWGKGJ-MAUKXSAKSA-N 2 2 386.367 3.330 20 0 GGADLP C[C@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000376203338 565426608 /nfs/dbraw/zinc/42/66/08/565426608.db2.gz MQJWRPVCGWGKGJ-MAUKXSAKSA-N 2 2 386.367 3.330 20 0 GGADLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276072735 565435249 /nfs/dbraw/zinc/43/52/49/565435249.db2.gz AABNUAIZXNSLFW-UHFFFAOYSA-N 2 2 396.329 3.236 20 0 GGADLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000276072735 565435253 /nfs/dbraw/zinc/43/52/53/565435253.db2.gz AABNUAIZXNSLFW-UHFFFAOYSA-N 2 2 396.329 3.236 20 0 GGADLP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)[nH+]1 ZINC000171649144 565442066 /nfs/dbraw/zinc/44/20/66/565442066.db2.gz RTNJXAYESGKDAJ-CQSZACIVSA-N 2 2 378.929 3.155 20 0 GGADLP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)[nH+]1 ZINC000171649144 565442075 /nfs/dbraw/zinc/44/20/75/565442075.db2.gz RTNJXAYESGKDAJ-CQSZACIVSA-N 2 2 378.929 3.155 20 0 GGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000276960298 565468927 /nfs/dbraw/zinc/46/89/27/565468927.db2.gz LWVLPAUZYGKXQI-DOTOQJQBSA-N 2 2 379.298 3.015 20 0 GGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000276960298 565468932 /nfs/dbraw/zinc/46/89/32/565468932.db2.gz LWVLPAUZYGKXQI-DOTOQJQBSA-N 2 2 379.298 3.015 20 0 GGADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000276960316 565469072 /nfs/dbraw/zinc/46/90/72/565469072.db2.gz LWVLPAUZYGKXQI-NVXWUHKLSA-N 2 2 379.298 3.015 20 0 GGADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(Br)o1 ZINC000276960316 565469077 /nfs/dbraw/zinc/46/90/77/565469077.db2.gz LWVLPAUZYGKXQI-NVXWUHKLSA-N 2 2 379.298 3.015 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCSc3cccc(Cl)c3)C2)CC1 ZINC000377356200 565475609 /nfs/dbraw/zinc/47/56/09/565475609.db2.gz FQWSBEQEFCMKGB-INIZCTEOSA-N 2 2 381.973 3.107 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCSc3cccc(Cl)c3)C2)CC1 ZINC000377356200 565475616 /nfs/dbraw/zinc/47/56/16/565475616.db2.gz FQWSBEQEFCMKGB-INIZCTEOSA-N 2 2 381.973 3.107 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000277161779 565480689 /nfs/dbraw/zinc/48/06/89/565480689.db2.gz KEVNYBUOWYOEDG-RHSMWYFYSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000277161779 565480693 /nfs/dbraw/zinc/48/06/93/565480693.db2.gz KEVNYBUOWYOEDG-RHSMWYFYSA-N 2 2 382.346 3.042 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)c1 ZINC000377620234 565490127 /nfs/dbraw/zinc/49/01/27/565490127.db2.gz WBJIGEWSHZVZFA-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)c1 ZINC000377620234 565490132 /nfs/dbraw/zinc/49/01/32/565490132.db2.gz WBJIGEWSHZVZFA-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000301547229 565494638 /nfs/dbraw/zinc/49/46/38/565494638.db2.gz PUPGWSUVLNIRFT-UHFFFAOYSA-N 3 2 377.330 3.435 20 0 GGADLP CCOC(=O)C[N@@H+]1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301543200 565495195 /nfs/dbraw/zinc/49/51/95/565495195.db2.gz CQQGDCDSGGJJOM-UHFFFAOYSA-N 2 2 392.297 3.073 20 0 GGADLP CCOC(=O)C[N@H+]1CCCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301543200 565495199 /nfs/dbraw/zinc/49/51/99/565495199.db2.gz CQQGDCDSGGJJOM-UHFFFAOYSA-N 2 2 392.297 3.073 20 0 GGADLP CC[NH+]1CCN([C@H](C)CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301562548 565496388 /nfs/dbraw/zinc/49/63/88/565496388.db2.gz YGFJEACIUIPRGV-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP CCN1CC[NH+]([C@H](C)CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301562548 565496392 /nfs/dbraw/zinc/49/63/92/565496392.db2.gz YGFJEACIUIPRGV-CQSZACIVSA-N 2 2 377.330 3.435 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNc2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 ZINC000301604507 565498311 /nfs/dbraw/zinc/49/83/11/565498311.db2.gz XPNSTCVVKITMOB-UHFFFAOYSA-N 2 2 384.311 3.481 20 0 GGADLP Brc1ccc2[nH+]ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000301592014 565498833 /nfs/dbraw/zinc/49/88/33/565498833.db2.gz XSOMUBWFFITGJH-CQSZACIVSA-N 2 2 376.298 3.156 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000377887289 565504082 /nfs/dbraw/zinc/50/40/82/565504082.db2.gz DXXNAZFCHRZAHH-GFCCVEGCSA-N 2 2 380.286 3.189 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000377887289 565504087 /nfs/dbraw/zinc/50/40/87/565504087.db2.gz DXXNAZFCHRZAHH-GFCCVEGCSA-N 2 2 380.286 3.189 20 0 GGADLP CN(C)c1cc[nH+]c(NC2CC[NH+](Cc3ccc(Br)cc3)CC2)n1 ZINC000301781470 565509848 /nfs/dbraw/zinc/50/98/48/565509848.db2.gz STRIZQBQIGQSEC-UHFFFAOYSA-N 2 2 390.329 3.382 20 0 GGADLP C[C@@H]1C[N@H+](Cc2c(F)cccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378386835 565525090 /nfs/dbraw/zinc/52/50/90/565525090.db2.gz WIODUMWOKYLTFG-RDTXWAMCSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378386835 565525093 /nfs/dbraw/zinc/52/50/93/565525093.db2.gz WIODUMWOKYLTFG-RDTXWAMCSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@H+](Cc2c(F)cccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378386832 565525301 /nfs/dbraw/zinc/52/53/01/565525301.db2.gz WIODUMWOKYLTFG-KBXCAEBGSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378386832 565525305 /nfs/dbraw/zinc/52/53/05/565525305.db2.gz WIODUMWOKYLTFG-KBXCAEBGSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2cc(Br)ccc12 ZINC000302285875 565539893 /nfs/dbraw/zinc/53/98/93/565539893.db2.gz VQIIBPCJLJRXBB-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2cc(Br)ccc12 ZINC000302285875 565539899 /nfs/dbraw/zinc/53/98/99/565539899.db2.gz VQIIBPCJLJRXBB-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP c1csc([C@H](CNc2cc(N3CCSCC3)[nH+]cn2)[NH+]2CCCC2)c1 ZINC000302782018 565557003 /nfs/dbraw/zinc/55/70/03/565557003.db2.gz JYDTZABAPWPBIR-HNNXBMFYSA-N 2 2 375.567 3.340 20 0 GGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(Br)o3)cc2)CC1 ZINC000190778170 565558508 /nfs/dbraw/zinc/55/85/08/565558508.db2.gz XXOPLUOOBUCAOE-UHFFFAOYSA-N 2 2 392.341 3.469 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000397339507 565575049 /nfs/dbraw/zinc/57/50/49/565575049.db2.gz VEPWKZPFHMHKQC-MBNYWOFBSA-N 2 2 379.302 3.304 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000397339507 565575053 /nfs/dbraw/zinc/57/50/53/565575053.db2.gz VEPWKZPFHMHKQC-MBNYWOFBSA-N 2 2 379.302 3.304 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000309833112 565578294 /nfs/dbraw/zinc/57/82/94/565578294.db2.gz SVTHKGZBHWTHSA-MRXNPFEDSA-N 2 2 377.330 3.103 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000309833112 565578297 /nfs/dbraw/zinc/57/82/97/565578297.db2.gz SVTHKGZBHWTHSA-MRXNPFEDSA-N 2 2 377.330 3.103 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1CC[NH3+] ZINC000404278271 565582654 /nfs/dbraw/zinc/58/26/54/565582654.db2.gz OGDMNWSWEPSFET-IUODEOHRSA-N 2 2 379.302 3.448 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H]1CC[NH3+] ZINC000404278271 565582656 /nfs/dbraw/zinc/58/26/56/565582656.db2.gz OGDMNWSWEPSFET-IUODEOHRSA-N 2 2 379.302 3.448 20 0 GGADLP COc1cc(Cl)c(Cl)cc1NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000191288268 565594256 /nfs/dbraw/zinc/59/42/56/565594256.db2.gz VRCZOYAVCRZWJM-UHFFFAOYSA-N 2 2 389.327 3.150 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)c(Cl)s3)C2)CC1 ZINC000191330718 565597013 /nfs/dbraw/zinc/59/70/13/565597013.db2.gz DLHNLUBJHFLVRH-LBPRGKRZSA-N 2 2 392.794 3.376 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)CC1 ZINC000191330718 565597017 /nfs/dbraw/zinc/59/70/17/565597017.db2.gz DLHNLUBJHFLVRH-LBPRGKRZSA-N 2 2 392.794 3.376 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1Br ZINC000279134571 565597026 /nfs/dbraw/zinc/59/70/26/565597026.db2.gz NEUSOQVDXOCWFU-KRWDZBQOSA-N 2 2 391.357 3.145 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1Br ZINC000279134571 565597031 /nfs/dbraw/zinc/59/70/31/565597031.db2.gz NEUSOQVDXOCWFU-KRWDZBQOSA-N 2 2 391.357 3.145 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191356704 565599464 /nfs/dbraw/zinc/59/94/64/565599464.db2.gz SKRNPGSGHCNGAQ-UHFFFAOYSA-N 2 2 396.329 3.317 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000191356704 565599469 /nfs/dbraw/zinc/59/94/69/565599469.db2.gz SKRNPGSGHCNGAQ-UHFFFAOYSA-N 2 2 396.329 3.317 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000191489898 565607891 /nfs/dbraw/zinc/60/78/91/565607891.db2.gz OASNOPMGYFPZJT-QGZVFWFLSA-N 2 2 393.329 3.147 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000191490474 565608164 /nfs/dbraw/zinc/60/81/64/565608164.db2.gz IQCAUPCYKRGJQH-QGZVFWFLSA-N 2 2 393.329 3.147 20 0 GGADLP COCC[N@H+](C)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191508113 565609458 /nfs/dbraw/zinc/60/94/58/565609458.db2.gz CDNWZRFGBMANIT-SFHVURJKSA-N 2 2 385.346 3.085 20 0 GGADLP COCC[N@@H+](C)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191508113 565609464 /nfs/dbraw/zinc/60/94/64/565609464.db2.gz CDNWZRFGBMANIT-SFHVURJKSA-N 2 2 385.346 3.085 20 0 GGADLP C[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@@H+]1CC(C)(C)O ZINC000409652003 565629926 /nfs/dbraw/zinc/62/99/26/565629926.db2.gz JWYWMEMLUICFNA-LBPRGKRZSA-N 2 2 396.304 3.418 20 0 GGADLP C[C@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@H+]1CC(C)(C)O ZINC000409652003 565629930 /nfs/dbraw/zinc/62/99/30/565629930.db2.gz JWYWMEMLUICFNA-LBPRGKRZSA-N 2 2 396.304 3.418 20 0 GGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280106158 565652733 /nfs/dbraw/zinc/65/27/33/565652733.db2.gz NKHNMTUNCYIWFJ-NSHDSACASA-N 2 2 388.320 3.238 20 0 GGADLP C[NH+]1CCC([NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000280282888 565663693 /nfs/dbraw/zinc/66/36/93/565663693.db2.gz NNDJFQLIMFSFSI-CQSZACIVSA-N 2 2 381.236 3.185 20 0 GGADLP C[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000280282884 565663612 /nfs/dbraw/zinc/66/36/12/565663612.db2.gz NNDJFQLIMFSFSI-AWEZNQCLSA-N 2 2 381.236 3.185 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000174944592 565668421 /nfs/dbraw/zinc/66/84/21/565668421.db2.gz SFJALWLDMJEIGH-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000174944592 565668427 /nfs/dbraw/zinc/66/84/27/565668427.db2.gz SFJALWLDMJEIGH-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000174944592 565668432 /nfs/dbraw/zinc/66/84/32/565668432.db2.gz SFJALWLDMJEIGH-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000174944592 565668439 /nfs/dbraw/zinc/66/84/39/565668439.db2.gz SFJALWLDMJEIGH-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000174944571 565668478 /nfs/dbraw/zinc/66/84/78/565668478.db2.gz SFJALWLDMJEIGH-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000174944571 565668483 /nfs/dbraw/zinc/66/84/83/565668483.db2.gz SFJALWLDMJEIGH-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000174944571 565668490 /nfs/dbraw/zinc/66/84/90/565668490.db2.gz SFJALWLDMJEIGH-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000174944571 565668494 /nfs/dbraw/zinc/66/84/94/565668494.db2.gz SFJALWLDMJEIGH-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000174944821 565668714 /nfs/dbraw/zinc/66/87/14/565668714.db2.gz ILMWHVRKTKMXQK-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000174944821 565668719 /nfs/dbraw/zinc/66/87/19/565668719.db2.gz ILMWHVRKTKMXQK-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000174944821 565668724 /nfs/dbraw/zinc/66/87/24/565668724.db2.gz ILMWHVRKTKMXQK-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000174944821 565668727 /nfs/dbraw/zinc/66/87/27/565668727.db2.gz ILMWHVRKTKMXQK-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174955754 565670106 /nfs/dbraw/zinc/67/01/06/565670106.db2.gz NEDMWFBAKHENMQ-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174955754 565670109 /nfs/dbraw/zinc/67/01/09/565670109.db2.gz NEDMWFBAKHENMQ-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174955754 565670111 /nfs/dbraw/zinc/67/01/11/565670111.db2.gz NEDMWFBAKHENMQ-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174955754 565670115 /nfs/dbraw/zinc/67/01/15/565670115.db2.gz NEDMWFBAKHENMQ-LSDHHAIUSA-N 2 2 382.346 3.440 20 0 GGADLP Brc1cncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355940 565682068 /nfs/dbraw/zinc/68/20/68/565682068.db2.gz IYUGGXDBZUBPBP-IBGZPJMESA-N 2 2 390.325 3.225 20 0 GGADLP Brc1cncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355940 565682069 /nfs/dbraw/zinc/68/20/69/565682069.db2.gz IYUGGXDBZUBPBP-IBGZPJMESA-N 2 2 390.325 3.225 20 0 GGADLP Brc1cnn(CCCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)c1 ZINC000280622949 565685047 /nfs/dbraw/zinc/68/50/47/565685047.db2.gz PQGSAIPKVGMJGI-UHFFFAOYSA-N 2 2 392.345 3.075 20 0 GGADLP Cc1cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc(C)c1Br ZINC000192420456 565687655 /nfs/dbraw/zinc/68/76/55/565687655.db2.gz BKVHNEPLRLRUMR-UHFFFAOYSA-N 2 2 397.361 3.213 20 0 GGADLP OC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1C(F)(F)F ZINC000280850571 565700025 /nfs/dbraw/zinc/70/00/25/565700025.db2.gz XYWNTZWEYYCJST-CQSZACIVSA-N 2 2 392.219 3.378 20 0 GGADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2c(F)cccc2Br)ccn1 ZINC000192692915 565705703 /nfs/dbraw/zinc/70/57/03/565705703.db2.gz LTCWVFNYCBTDPP-UHFFFAOYSA-N 2 2 382.277 3.213 20 0 GGADLP Cc1c(Br)cccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000175944172 565735713 /nfs/dbraw/zinc/73/57/13/565735713.db2.gz KDLRNAYGVCSWKA-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Cc1c(Br)cccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000175944172 565735721 /nfs/dbraw/zinc/73/57/21/565735721.db2.gz KDLRNAYGVCSWKA-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Fc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000282022637 565762202 /nfs/dbraw/zinc/76/22/02/565762202.db2.gz NOPPHBACQRQFQN-LBPRGKRZSA-N 2 2 389.284 3.318 20 0 GGADLP Cc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Br ZINC000176690269 565793560 /nfs/dbraw/zinc/79/35/60/565793560.db2.gz UWKJOLKPEHFFDA-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332111511 565805952 /nfs/dbraw/zinc/80/59/52/565805952.db2.gz HBBGENGAOWEUCC-QWHCGFSZSA-N 2 2 377.286 3.379 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332111511 565805957 /nfs/dbraw/zinc/80/59/57/565805957.db2.gz HBBGENGAOWEUCC-QWHCGFSZSA-N 2 2 377.286 3.379 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332111508 565806270 /nfs/dbraw/zinc/80/62/70/565806270.db2.gz HBBGENGAOWEUCC-OLZOCXBDSA-N 2 2 377.286 3.379 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332111508 565806276 /nfs/dbraw/zinc/80/62/76/565806276.db2.gz HBBGENGAOWEUCC-OLZOCXBDSA-N 2 2 377.286 3.379 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332111506 565806676 /nfs/dbraw/zinc/80/66/76/565806676.db2.gz HBBGENGAOWEUCC-CHWSQXEVSA-N 2 2 377.286 3.379 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332111506 565806679 /nfs/dbraw/zinc/80/66/79/565806679.db2.gz HBBGENGAOWEUCC-CHWSQXEVSA-N 2 2 377.286 3.379 20 0 GGADLP O[C@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Br)c1 ZINC000283181599 565811885 /nfs/dbraw/zinc/81/18/85/565811885.db2.gz JVYLBMSNYWNNOG-QGZVFWFLSA-N 2 2 376.298 3.136 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332214834 565816780 /nfs/dbraw/zinc/81/67/80/565816780.db2.gz YUOATSDKVVVFQD-CYBMUJFWSA-N 2 2 377.286 3.299 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332214834 565816785 /nfs/dbraw/zinc/81/67/85/565816785.db2.gz YUOATSDKVVVFQD-CYBMUJFWSA-N 2 2 377.286 3.299 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000177150686 565832070 /nfs/dbraw/zinc/83/20/70/565832070.db2.gz FZZPYXKZPNXLMD-UHFFFAOYSA-N 2 2 386.367 3.458 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000177158559 565832274 /nfs/dbraw/zinc/83/22/74/565832274.db2.gz IIGQPXGLDGHURS-HOTGVXAUSA-N 2 2 384.351 3.239 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCCSc2ccc(Cl)cc2)CC1 ZINC000177154430 565832289 /nfs/dbraw/zinc/83/22/89/565832289.db2.gz TVROHMCDRZWASO-UHFFFAOYSA-N 2 2 383.989 3.355 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000177381554 565847144 /nfs/dbraw/zinc/84/71/44/565847144.db2.gz YRZFPSGMBYGUSI-UHFFFAOYSA-N 2 2 384.355 3.099 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000177381554 565847149 /nfs/dbraw/zinc/84/71/49/565847149.db2.gz YRZFPSGMBYGUSI-UHFFFAOYSA-N 2 2 384.355 3.099 20 0 GGADLP CN(CC[N@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1)C1CC[NH+](C)CC1 ZINC000177381554 565847152 /nfs/dbraw/zinc/84/71/52/565847152.db2.gz YRZFPSGMBYGUSI-UHFFFAOYSA-N 2 2 384.355 3.099 20 0 GGADLP CN(CC[N@@H+](C)Cc1cn2cc(Cl)cc(Cl)c2n1)C1CC[NH+](C)CC1 ZINC000177381554 565847156 /nfs/dbraw/zinc/84/71/56/565847156.db2.gz YRZFPSGMBYGUSI-UHFFFAOYSA-N 2 2 384.355 3.099 20 0 GGADLP NC(=O)[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000177483136 565854813 /nfs/dbraw/zinc/85/48/13/565854813.db2.gz FPTVRFXAZAPOHU-GOSISDBHSA-N 2 2 394.357 3.362 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)[C@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000195173485 565863761 /nfs/dbraw/zinc/86/37/61/565863761.db2.gz HMLQRFXMBFZRBZ-SUMWQHHRSA-N 2 2 375.563 3.033 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)[C@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000195173485 565863764 /nfs/dbraw/zinc/86/37/64/565863764.db2.gz HMLQRFXMBFZRBZ-SUMWQHHRSA-N 2 2 375.563 3.033 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(Br)cc3)CC2)CC1 ZINC000195341746 565876708 /nfs/dbraw/zinc/87/67/08/565876708.db2.gz FHNVWLHEVAAKEK-UHFFFAOYSA-N 2 2 395.345 3.129 20 0 GGADLP CN(C)c1[nH+]cc(C[NH2+]Cc2cc(Br)ccc2OC(F)F)n1C ZINC000414320940 565910967 /nfs/dbraw/zinc/91/09/67/565910967.db2.gz BYCOKQHBYPSZKC-UHFFFAOYSA-N 2 2 389.244 3.140 20 0 GGADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414352100 565913251 /nfs/dbraw/zinc/91/32/51/565913251.db2.gz PEAAYCKRXFQNND-YWZLYKJASA-N 2 2 392.385 3.486 20 0 GGADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414352100 565913257 /nfs/dbraw/zinc/91/32/57/565913257.db2.gz PEAAYCKRXFQNND-YWZLYKJASA-N 2 2 392.385 3.486 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285653672 565919206 /nfs/dbraw/zinc/91/92/06/565919206.db2.gz YPKWDAKMSQNPLQ-YIONKMFJSA-N 2 2 377.330 3.393 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285653672 565919213 /nfs/dbraw/zinc/91/92/13/565919213.db2.gz YPKWDAKMSQNPLQ-YIONKMFJSA-N 2 2 377.330 3.393 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285653672 565919216 /nfs/dbraw/zinc/91/92/16/565919216.db2.gz YPKWDAKMSQNPLQ-YIONKMFJSA-N 2 2 377.330 3.393 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285653672 565919222 /nfs/dbraw/zinc/91/92/22/565919222.db2.gz YPKWDAKMSQNPLQ-YIONKMFJSA-N 2 2 377.330 3.393 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000178521118 565923150 /nfs/dbraw/zinc/92/31/50/565923150.db2.gz GBGYTQHFFOOFDJ-QGZVFWFLSA-N 2 2 383.330 3.099 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178521632 565924681 /nfs/dbraw/zinc/92/46/81/565924681.db2.gz XZXXYWQLAIYVEL-MRXNPFEDSA-N 2 2 385.371 3.422 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000178642320 565931774 /nfs/dbraw/zinc/93/17/74/565931774.db2.gz BIFKXCNFXSVJIB-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000178642320 565931776 /nfs/dbraw/zinc/93/17/76/565931776.db2.gz BIFKXCNFXSVJIB-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000178642320 565931779 /nfs/dbraw/zinc/93/17/79/565931779.db2.gz BIFKXCNFXSVJIB-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000178642320 565931781 /nfs/dbraw/zinc/93/17/81/565931781.db2.gz BIFKXCNFXSVJIB-CJNGLKHVSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000178642304 565931854 /nfs/dbraw/zinc/93/18/54/565931854.db2.gz BIFKXCNFXSVJIB-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000178642304 565931859 /nfs/dbraw/zinc/93/18/59/565931859.db2.gz BIFKXCNFXSVJIB-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000178642304 565931862 /nfs/dbraw/zinc/93/18/62/565931862.db2.gz BIFKXCNFXSVJIB-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000178642304 565931864 /nfs/dbraw/zinc/93/18/64/565931864.db2.gz BIFKXCNFXSVJIB-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP CC(C)([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000236797515 565945020 /nfs/dbraw/zinc/94/50/20/565945020.db2.gz UBSJKDSIUAHJHO-INIZCTEOSA-N 2 2 377.941 3.354 20 0 GGADLP CC(C)([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000236797515 565945026 /nfs/dbraw/zinc/94/50/26/565945026.db2.gz UBSJKDSIUAHJHO-INIZCTEOSA-N 2 2 377.941 3.354 20 0 GGADLP CC(C)([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000236795362 565945461 /nfs/dbraw/zinc/94/54/61/565945461.db2.gz UBSJKDSIUAHJHO-MRXNPFEDSA-N 2 2 377.941 3.354 20 0 GGADLP CC(C)([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000236795362 565945464 /nfs/dbraw/zinc/94/54/64/565945464.db2.gz UBSJKDSIUAHJHO-MRXNPFEDSA-N 2 2 377.941 3.354 20 0 GGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360690981 565960367 /nfs/dbraw/zinc/96/03/67/565960367.db2.gz KZNJNBWTUPIIMG-GPMSIDNRSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360690981 565960372 /nfs/dbraw/zinc/96/03/72/565960372.db2.gz KZNJNBWTUPIIMG-GPMSIDNRSA-N 2 2 380.374 3.468 20 0 GGADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000414794885 565961412 /nfs/dbraw/zinc/96/14/12/565961412.db2.gz GBEBVQVLYSMCRJ-SKDRFNHKSA-N 2 2 377.124 3.214 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@H]([NH3+])C(C)C ZINC000414794765 565961628 /nfs/dbraw/zinc/96/16/28/565961628.db2.gz MCWSUEBLGVVGLU-LBPRGKRZSA-N 2 2 380.124 3.293 20 0 GGADLP CC[NH2+]CC[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000414819457 565961919 /nfs/dbraw/zinc/96/19/19/565961919.db2.gz ABCVURZDSLXGCN-UHFFFAOYSA-N 2 2 380.124 3.309 20 0 GGADLP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc(Br)c1OC(F)F ZINC000414805300 565962763 /nfs/dbraw/zinc/96/27/63/565962763.db2.gz PNBSZNPZDLIMAS-LBPRGKRZSA-N 2 2 379.245 3.276 20 0 GGADLP C[C@H]([NH2+]Cc1ncc(Br)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414844295 565963839 /nfs/dbraw/zinc/96/38/39/565963839.db2.gz CQPSDNRUIFKOJG-VHSXEESVSA-N 2 2 377.124 3.084 20 0 GGADLP COc1cc(C[NH2+][C@H]2CC[NH2+]C2)ccc1OCc1ccc(Br)cc1 ZINC000414868148 565963854 /nfs/dbraw/zinc/96/38/54/565963854.db2.gz HNJMXWDKZWKDRP-KRWDZBQOSA-N 2 2 391.309 3.488 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+]C2)cc1Br ZINC000414867886 565963884 /nfs/dbraw/zinc/96/38/84/565963884.db2.gz PAACHAAXVQCNDB-LLVKDONJSA-N 2 2 392.135 3.452 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]CC1([NH3+])CCC1 ZINC000414877510 565964168 /nfs/dbraw/zinc/96/41/68/565964168.db2.gz GATMMKXVTIZLBL-UHFFFAOYSA-N 2 2 378.108 3.191 20 0 GGADLP C[C@@H]([NH2+]Cc1ncc(Br)cc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414844287 565964359 /nfs/dbraw/zinc/96/43/59/565964359.db2.gz CQPSDNRUIFKOJG-NXEZZACHSA-N 2 2 377.124 3.084 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414960217 565967128 /nfs/dbraw/zinc/96/71/28/565967128.db2.gz XZMMBEXHGSTSDF-JOYOIKCWSA-N 2 2 392.135 3.450 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414960210 565966475 /nfs/dbraw/zinc/96/64/75/565966475.db2.gz XZMMBEXHGSTSDF-BXKDBHETSA-N 2 2 392.135 3.450 20 0 GGADLP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000179261889 565969017 /nfs/dbraw/zinc/96/90/17/565969017.db2.gz LJFWHSMGPHUDCQ-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000179261889 565969020 /nfs/dbraw/zinc/96/90/20/565969020.db2.gz LJFWHSMGPHUDCQ-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP CN(Cc1cccc(Cl)c1Cl)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179291533 565971759 /nfs/dbraw/zinc/97/17/59/565971759.db2.gz KAFXRLKDPQLDAS-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179317540 565972617 /nfs/dbraw/zinc/97/26/17/565972617.db2.gz ZBGBMWKMRCRULS-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP Brc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)ccc1OCc1ccccc1 ZINC000415091370 565973058 /nfs/dbraw/zinc/97/30/58/565973058.db2.gz CERFTEAMUQLEMB-KRWDZBQOSA-N 2 2 391.309 3.106 20 0 GGADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000415109721 565973137 /nfs/dbraw/zinc/97/31/37/565973137.db2.gz ODWXWHULVMEVKD-DOTOQJQBSA-N 2 2 389.284 3.446 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)ccc(Br)c3F)CC2)C1 ZINC000415118329 565974111 /nfs/dbraw/zinc/97/41/11/565974111.db2.gz CZVKTUCLXVUZQX-MLGOLLRUSA-N 2 2 389.284 3.446 20 0 GGADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc(Br)c(Cl)s3)C2)nn1 ZINC000415123937 565975039 /nfs/dbraw/zinc/97/50/39/565975039.db2.gz JXUJAGWVRGRYKA-JTQLQIEISA-N 2 2 390.738 3.051 20 0 GGADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c(F)ccc(Br)c3F)CC2)C1 ZINC000415118332 565974248 /nfs/dbraw/zinc/97/42/48/565974248.db2.gz CZVKTUCLXVUZQX-WBMJQRKESA-N 2 2 389.284 3.446 20 0 GGADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)nn1 ZINC000415123937 565975046 /nfs/dbraw/zinc/97/50/46/565975046.db2.gz JXUJAGWVRGRYKA-JTQLQIEISA-N 2 2 390.738 3.051 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130995 565976001 /nfs/dbraw/zinc/97/60/01/565976001.db2.gz RQJQDVUWNYUKOW-PWSUYJOCSA-N 2 2 393.272 3.476 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130995 565976005 /nfs/dbraw/zinc/97/60/05/565976005.db2.gz RQJQDVUWNYUKOW-PWSUYJOCSA-N 2 2 393.272 3.476 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415135430 565976066 /nfs/dbraw/zinc/97/60/66/565976066.db2.gz WRKZMYAYBDOQHM-GOEBONIOSA-N 2 2 385.346 3.281 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415135430 565976071 /nfs/dbraw/zinc/97/60/71/565976071.db2.gz WRKZMYAYBDOQHM-GOEBONIOSA-N 2 2 385.346 3.281 20 0 GGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Br)cc(Br)c1OC ZINC000415140873 565976362 /nfs/dbraw/zinc/97/63/62/565976362.db2.gz ZPQPUDXEFYUJKZ-UHFFFAOYSA-N 2 2 380.124 3.262 20 0 GGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Br)cc(Br)c1OC ZINC000415140873 565976367 /nfs/dbraw/zinc/97/63/67/565976367.db2.gz ZPQPUDXEFYUJKZ-UHFFFAOYSA-N 2 2 380.124 3.262 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cs1 ZINC000238030387 565977761 /nfs/dbraw/zinc/97/77/61/565977761.db2.gz DCJDPEUKELANBN-UHFFFAOYSA-N 2 2 399.347 3.303 20 0 GGADLP C[C@@H]1CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000179477786 565982735 /nfs/dbraw/zinc/98/27/35/565982735.db2.gz OPJIHVNTJLNPMB-DOMZBBRYSA-N 2 2 378.270 3.457 20 0 GGADLP C[C@@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000179477786 565982738 /nfs/dbraw/zinc/98/27/38/565982738.db2.gz OPJIHVNTJLNPMB-DOMZBBRYSA-N 2 2 378.270 3.457 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245448400 565991936 /nfs/dbraw/zinc/99/19/36/565991936.db2.gz MUZUGSSACMZTJL-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245448400 565991940 /nfs/dbraw/zinc/99/19/40/565991940.db2.gz MUZUGSSACMZTJL-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000363449936 566005509 /nfs/dbraw/zinc/00/55/09/566005509.db2.gz MWKUYINCWUZWSX-QGZVFWFLSA-N 2 2 376.595 3.472 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4cccs4)n3)C2)CC1 ZINC000363449936 566005515 /nfs/dbraw/zinc/00/55/15/566005515.db2.gz MWKUYINCWUZWSX-QGZVFWFLSA-N 2 2 376.595 3.472 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000245878140 566009199 /nfs/dbraw/zinc/00/91/99/566009199.db2.gz MWVXCNGHKZZYRB-WMLDXEAASA-N 2 2 378.314 3.171 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000246214098 566021301 /nfs/dbraw/zinc/02/13/01/566021301.db2.gz YJSAWYBLXFSVOS-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000246214098 566021303 /nfs/dbraw/zinc/02/13/03/566021303.db2.gz YJSAWYBLXFSVOS-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000246214098 566021307 /nfs/dbraw/zinc/02/13/07/566021307.db2.gz YJSAWYBLXFSVOS-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000246214098 566021309 /nfs/dbraw/zinc/02/13/09/566021309.db2.gz YJSAWYBLXFSVOS-GJZGRUSLSA-N 2 2 382.346 3.358 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246243698 566022934 /nfs/dbraw/zinc/02/29/34/566022934.db2.gz UYIGISUGMHGBKK-CABCVRRESA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246243698 566022936 /nfs/dbraw/zinc/02/29/36/566022936.db2.gz UYIGISUGMHGBKK-CABCVRRESA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254374 566024305 /nfs/dbraw/zinc/02/43/05/566024305.db2.gz XDBIEWWZALXNRJ-CABCVRRESA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246254374 566024307 /nfs/dbraw/zinc/02/43/07/566024307.db2.gz XDBIEWWZALXNRJ-CABCVRRESA-N 2 2 380.330 3.194 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246523279 566032259 /nfs/dbraw/zinc/03/22/59/566032259.db2.gz IZFZKLFJELQXKM-YOEHRIQHSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246523279 566032265 /nfs/dbraw/zinc/03/22/65/566032265.db2.gz IZFZKLFJELQXKM-YOEHRIQHSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246523279 566032269 /nfs/dbraw/zinc/03/22/69/566032269.db2.gz IZFZKLFJELQXKM-YOEHRIQHSA-N 2 2 381.973 3.309 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246523279 566032275 /nfs/dbraw/zinc/03/22/75/566032275.db2.gz IZFZKLFJELQXKM-YOEHRIQHSA-N 2 2 381.973 3.309 20 0 GGADLP Brc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000180200553 566043830 /nfs/dbraw/zinc/04/38/30/566043830.db2.gz NNSQNCFSZOAIAG-HNNXBMFYSA-N 2 2 390.325 3.151 20 0 GGADLP Brc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000180200553 566043833 /nfs/dbraw/zinc/04/38/33/566043833.db2.gz NNSQNCFSZOAIAG-HNNXBMFYSA-N 2 2 390.325 3.151 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000246877634 566043970 /nfs/dbraw/zinc/04/39/70/566043970.db2.gz DGELEYPZDBHLCI-VKJFTORMSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000246877634 566043974 /nfs/dbraw/zinc/04/39/74/566043974.db2.gz DGELEYPZDBHLCI-VKJFTORMSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000246983702 566049190 /nfs/dbraw/zinc/04/91/90/566049190.db2.gz TVKRBFSSFUXALQ-IHRRRGAJSA-N 2 2 381.314 3.498 20 0 GGADLP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000246983702 566049196 /nfs/dbraw/zinc/04/91/96/566049196.db2.gz TVKRBFSSFUXALQ-IHRRRGAJSA-N 2 2 381.314 3.498 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000247180900 566054503 /nfs/dbraw/zinc/05/45/03/566054503.db2.gz TVDZOJSVQBMLEW-WWGRRREGSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000247180900 566054507 /nfs/dbraw/zinc/05/45/07/566054507.db2.gz TVDZOJSVQBMLEW-WWGRRREGSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000247180906 566055527 /nfs/dbraw/zinc/05/55/27/566055527.db2.gz TVDZOJSVQBMLEW-XJKCOSOUSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000247180906 566055531 /nfs/dbraw/zinc/05/55/31/566055531.db2.gz TVDZOJSVQBMLEW-XJKCOSOUSA-N 2 2 380.330 3.381 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000247513430 566062456 /nfs/dbraw/zinc/06/24/56/566062456.db2.gz MTIGEBSRWPYOBC-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000247513430 566062461 /nfs/dbraw/zinc/06/24/61/566062461.db2.gz MTIGEBSRWPYOBC-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000247513420 566062991 /nfs/dbraw/zinc/06/29/91/566062991.db2.gz MTIGEBSRWPYOBC-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000247513420 566062995 /nfs/dbraw/zinc/06/29/95/566062995.db2.gz MTIGEBSRWPYOBC-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP Brc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000180451669 566064283 /nfs/dbraw/zinc/06/42/83/566064283.db2.gz APQVNOOXJFLYJK-UHFFFAOYSA-N 2 2 390.325 3.477 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000247731123 566065491 /nfs/dbraw/zinc/06/54/91/566065491.db2.gz VELJUBBFSOXYTF-XJKSGUPXSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000247731123 566065495 /nfs/dbraw/zinc/06/54/95/566065495.db2.gz VELJUBBFSOXYTF-XJKSGUPXSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247791330 566066104 /nfs/dbraw/zinc/06/61/04/566066104.db2.gz ZDBMMNUNAQEORL-CZUORRHYSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247791330 566066111 /nfs/dbraw/zinc/06/61/11/566066111.db2.gz ZDBMMNUNAQEORL-CZUORRHYSA-N 2 2 377.286 3.167 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@H]21 ZINC000247968872 566069093 /nfs/dbraw/zinc/06/90/93/566069093.db2.gz HAVXCJFZMZGFCP-WCQYABFASA-N 2 2 397.342 3.477 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@H]21 ZINC000247968872 566069097 /nfs/dbraw/zinc/06/90/97/566069097.db2.gz HAVXCJFZMZGFCP-WCQYABFASA-N 2 2 397.342 3.477 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@H]21 ZINC000247968872 566069101 /nfs/dbraw/zinc/06/91/01/566069101.db2.gz HAVXCJFZMZGFCP-WCQYABFASA-N 2 2 397.342 3.477 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@H]21 ZINC000247968872 566069106 /nfs/dbraw/zinc/06/91/06/566069106.db2.gz HAVXCJFZMZGFCP-WCQYABFASA-N 2 2 397.342 3.477 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@H]21 ZINC000247958172 566069484 /nfs/dbraw/zinc/06/94/84/566069484.db2.gz FVXRUFZHZZBLOJ-GDBMZVCRSA-N 2 2 391.313 3.415 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@H]21 ZINC000247958172 566069489 /nfs/dbraw/zinc/06/94/89/566069489.db2.gz FVXRUFZHZZBLOJ-GDBMZVCRSA-N 2 2 391.313 3.415 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@H]21 ZINC000247958172 566069493 /nfs/dbraw/zinc/06/94/93/566069493.db2.gz FVXRUFZHZZBLOJ-GDBMZVCRSA-N 2 2 391.313 3.415 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@H]21 ZINC000247958172 566069497 /nfs/dbraw/zinc/06/94/97/566069497.db2.gz FVXRUFZHZZBLOJ-GDBMZVCRSA-N 2 2 391.313 3.415 20 0 GGADLP C[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000180609773 566077287 /nfs/dbraw/zinc/07/72/87/566077287.db2.gz VSILQMZQMXTIPH-BBRMVZONSA-N 2 2 392.297 3.500 20 0 GGADLP C[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@@H]1n1cc[nH+]c1 ZINC000180609773 566077289 /nfs/dbraw/zinc/07/72/89/566077289.db2.gz VSILQMZQMXTIPH-BBRMVZONSA-N 2 2 392.297 3.500 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ncc(Br)s1 ZINC000248438964 566078536 /nfs/dbraw/zinc/07/85/36/566078536.db2.gz IEMAHDAJULPAIE-IUODEOHRSA-N 2 2 396.354 3.323 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ncc(Br)s1 ZINC000248438964 566078539 /nfs/dbraw/zinc/07/85/39/566078539.db2.gz IEMAHDAJULPAIE-IUODEOHRSA-N 2 2 396.354 3.323 20 0 GGADLP C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000248553682 566081740 /nfs/dbraw/zinc/08/17/40/566081740.db2.gz JQJBOKKKAUYJKB-JLZZUVOBSA-N 2 2 382.277 3.401 20 0 GGADLP C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1n1cc[nH+]c1 ZINC000248553682 566081745 /nfs/dbraw/zinc/08/17/45/566081745.db2.gz JQJBOKKKAUYJKB-JLZZUVOBSA-N 2 2 382.277 3.401 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000180732503 566083855 /nfs/dbraw/zinc/08/38/55/566083855.db2.gz DAEVSUGSIHMCCP-HOCLYGCPSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000180732503 566083860 /nfs/dbraw/zinc/08/38/60/566083860.db2.gz DAEVSUGSIHMCCP-HOCLYGCPSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000180732503 566083865 /nfs/dbraw/zinc/08/38/65/566083865.db2.gz DAEVSUGSIHMCCP-HOCLYGCPSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000180732503 566083871 /nfs/dbraw/zinc/08/38/71/566083871.db2.gz DAEVSUGSIHMCCP-HOCLYGCPSA-N 2 2 381.314 3.136 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)ccc1Br ZINC000248872815 566091314 /nfs/dbraw/zinc/09/13/14/566091314.db2.gz QTUGBDWAADXZCB-MPGHIAIKSA-N 2 2 392.341 3.079 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)ccc1Br ZINC000248872815 566091320 /nfs/dbraw/zinc/09/13/20/566091320.db2.gz QTUGBDWAADXZCB-MPGHIAIKSA-N 2 2 392.341 3.079 20 0 GGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000289130812 566108210 /nfs/dbraw/zinc/10/82/10/566108210.db2.gz DXFLQIWSWAXVMC-RDTXWAMCSA-N 2 2 391.357 3.143 20 0 GGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000289130812 566108215 /nfs/dbraw/zinc/10/82/15/566108215.db2.gz DXFLQIWSWAXVMC-RDTXWAMCSA-N 2 2 391.357 3.143 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000365648731 566111846 /nfs/dbraw/zinc/11/18/46/566111846.db2.gz KVAZGFIKNMXKQJ-CQSZACIVSA-N 2 2 391.313 3.391 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000365648731 566111851 /nfs/dbraw/zinc/11/18/51/566111851.db2.gz KVAZGFIKNMXKQJ-CQSZACIVSA-N 2 2 391.313 3.391 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)ccc1Br ZINC000181095092 566113510 /nfs/dbraw/zinc/11/35/10/566113510.db2.gz DGLQQCIZXYUKTB-CQSZACIVSA-N 2 2 379.302 3.303 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)ccc1Br ZINC000181095092 566113515 /nfs/dbraw/zinc/11/35/15/566113515.db2.gz DGLQQCIZXYUKTB-CQSZACIVSA-N 2 2 379.302 3.303 20 0 GGADLP CC[NH2+]CC1CC[NH+](Cc2c(F)ccc(I)c2F)CC1 ZINC000262039439 566144663 /nfs/dbraw/zinc/14/46/63/566144663.db2.gz YENQCNVWLHUBEL-UHFFFAOYSA-N 2 2 394.247 3.391 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(Br)c1OC(F)F ZINC000261671665 566127732 /nfs/dbraw/zinc/12/77/32/566127732.db2.gz GHGPLYBCTDUZIE-HNNXBMFYSA-N 2 2 379.245 3.230 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(Br)c1OC(F)F ZINC000261671665 566127740 /nfs/dbraw/zinc/12/77/40/566127740.db2.gz GHGPLYBCTDUZIE-HNNXBMFYSA-N 2 2 379.245 3.230 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277747 566129546 /nfs/dbraw/zinc/12/95/46/566129546.db2.gz OLYXVLXULHLQJW-LALPHHSUSA-N 2 2 378.318 3.053 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277747 566129549 /nfs/dbraw/zinc/12/95/49/566129549.db2.gz OLYXVLXULHLQJW-LALPHHSUSA-N 2 2 378.318 3.053 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277727 566130029 /nfs/dbraw/zinc/13/00/29/566130029.db2.gz OLYXVLXULHLQJW-XUJVJEKNSA-N 2 2 378.318 3.053 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277727 566130034 /nfs/dbraw/zinc/13/00/34/566130034.db2.gz OLYXVLXULHLQJW-XUJVJEKNSA-N 2 2 378.318 3.053 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277707 566130116 /nfs/dbraw/zinc/13/01/16/566130116.db2.gz OLYXVLXULHLQJW-JMSVASOKSA-N 2 2 378.318 3.053 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nnc(-c2ccc(Br)cc2)[nH]1 ZINC000181277707 566130122 /nfs/dbraw/zinc/13/01/22/566130122.db2.gz OLYXVLXULHLQJW-JMSVASOKSA-N 2 2 378.318 3.053 20 0 GGADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261827437 566136778 /nfs/dbraw/zinc/13/67/78/566136778.db2.gz IVTWCCMOKNFRGI-WFASDCNBSA-N 2 2 388.314 3.213 20 0 GGADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261827437 566136782 /nfs/dbraw/zinc/13/67/82/566136782.db2.gz IVTWCCMOKNFRGI-WFASDCNBSA-N 2 2 388.314 3.213 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3Cl)C[C@@H]21 ZINC000262108992 566147181 /nfs/dbraw/zinc/14/71/81/566147181.db2.gz JNWFMWXIKZRSCM-VHRBIJSZSA-N 2 2 386.721 3.100 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3Cl)C[C@@H]21 ZINC000262108992 566147184 /nfs/dbraw/zinc/14/71/84/566147184.db2.gz JNWFMWXIKZRSCM-VHRBIJSZSA-N 2 2 386.721 3.100 20 0 GGADLP C[C@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000262324718 566150500 /nfs/dbraw/zinc/15/05/00/566150500.db2.gz FVOXZSAKRZUOOR-CQSZACIVSA-N 2 2 377.941 3.308 20 0 GGADLP C[C@@H](C[NH3+])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000262324716 566150972 /nfs/dbraw/zinc/15/09/72/566150972.db2.gz FVOXZSAKRZUOOR-AWEZNQCLSA-N 2 2 377.941 3.308 20 0 GGADLP Cc1cc[nH+]cc1CCC[NH2+]C[C@H](O)COc1ccccc1Br ZINC000290307564 566165734 /nfs/dbraw/zinc/16/57/34/566165734.db2.gz ILMBMVFUVSNXCK-INIZCTEOSA-N 2 2 379.298 3.115 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290372262 566169130 /nfs/dbraw/zinc/16/91/30/566169130.db2.gz HNWWEUYQINWDQH-INIZCTEOSA-N 2 2 384.973 3.297 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290372262 566169134 /nfs/dbraw/zinc/16/91/34/566169134.db2.gz HNWWEUYQINWDQH-INIZCTEOSA-N 2 2 384.973 3.297 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000182089244 566181441 /nfs/dbraw/zinc/18/14/41/566181441.db2.gz PSNYOETUMAXVLK-AWEZNQCLSA-N 2 2 388.313 3.285 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000182089244 566181447 /nfs/dbraw/zinc/18/14/47/566181447.db2.gz PSNYOETUMAXVLK-AWEZNQCLSA-N 2 2 388.313 3.285 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000291046367 566203049 /nfs/dbraw/zinc/20/30/49/566203049.db2.gz LYQQOJCRDQNXCA-NSHDSACASA-N 2 2 379.448 3.230 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2sccc2Br)CC1 ZINC000291214384 566209639 /nfs/dbraw/zinc/20/96/39/566209639.db2.gz OJNFLVJJYLNZRK-UHFFFAOYSA-N 2 2 375.332 3.018 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368021628 566227410 /nfs/dbraw/zinc/22/74/10/566227410.db2.gz ZSXFTPFWKRNFBD-CXAGYDPISA-N 2 2 379.551 3.423 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368021628 566227415 /nfs/dbraw/zinc/22/74/15/566227415.db2.gz ZSXFTPFWKRNFBD-CXAGYDPISA-N 2 2 379.551 3.423 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368020707 566227903 /nfs/dbraw/zinc/22/79/03/566227903.db2.gz WVLDTBKNIZFBKW-CZUORRHYSA-N 2 2 379.551 3.423 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368020707 566227907 /nfs/dbraw/zinc/22/79/07/566227907.db2.gz WVLDTBKNIZFBKW-CZUORRHYSA-N 2 2 379.551 3.423 20 0 GGADLP O=C(Nc1ccccc1Br)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182888398 566228561 /nfs/dbraw/zinc/22/85/61/566228561.db2.gz MNXMQBNEWPAWHO-UHFFFAOYSA-N 2 2 391.313 3.386 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000368135272 566231343 /nfs/dbraw/zinc/23/13/43/566231343.db2.gz PETLLPXFZQHZSO-LBPRGKRZSA-N 2 2 380.286 3.189 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OC ZINC000368135272 566231345 /nfs/dbraw/zinc/23/13/45/566231345.db2.gz PETLLPXFZQHZSO-LBPRGKRZSA-N 2 2 380.286 3.189 20 0 GGADLP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1cccc(Br)c1 ZINC000419296599 566231762 /nfs/dbraw/zinc/23/17/62/566231762.db2.gz SFJWXCQZCNGYTH-SFHVURJKSA-N 2 2 392.341 3.161 20 0 GGADLP C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000183011874 566235001 /nfs/dbraw/zinc/23/50/01/566235001.db2.gz TYIDJCIBSBNRQW-KBPBESRZSA-N 2 2 378.929 3.184 20 0 GGADLP COc1c(Br)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000369009021 566249043 /nfs/dbraw/zinc/24/90/43/566249043.db2.gz JRKGRAXRTBRHNS-USXIJHARSA-N 2 2 383.330 3.141 20 0 GGADLP COc1c(Br)cccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000369009021 566249045 /nfs/dbraw/zinc/24/90/45/566249045.db2.gz JRKGRAXRTBRHNS-USXIJHARSA-N 2 2 383.330 3.141 20 0 GGADLP CC[N@H+](CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)Cc1ccccc1Cl ZINC000575121361 566253197 /nfs/dbraw/zinc/25/31/97/566253197.db2.gz MOHBOSPLTMGASG-ZDUSSCGKSA-N 2 2 378.929 3.073 20 0 GGADLP CC[N@@H+](CC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)Cc1ccccc1Cl ZINC000575121361 566253201 /nfs/dbraw/zinc/25/32/01/566253201.db2.gz MOHBOSPLTMGASG-ZDUSSCGKSA-N 2 2 378.929 3.073 20 0 GGADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000575156235 566254764 /nfs/dbraw/zinc/25/47/64/566254764.db2.gz LRDZJKPDUFQRGM-BEFAXECRSA-N 2 2 383.989 3.104 20 0 GGADLP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000668739052 566262914 /nfs/dbraw/zinc/26/29/14/566262914.db2.gz ISVGCPAIGANAQC-KRWDZBQOSA-N 2 2 377.941 3.495 20 0 GGADLP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000668739052 566262920 /nfs/dbraw/zinc/26/29/20/566262920.db2.gz ISVGCPAIGANAQC-KRWDZBQOSA-N 2 2 377.941 3.495 20 0 GGADLP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000535005869 566270274 /nfs/dbraw/zinc/27/02/74/566270274.db2.gz DVTDFSOAOXFMGL-KRWDZBQOSA-N 2 2 382.346 3.028 20 0 GGADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000535005869 566270284 /nfs/dbraw/zinc/27/02/84/566270284.db2.gz DVTDFSOAOXFMGL-KRWDZBQOSA-N 2 2 382.346 3.028 20 0 GGADLP C[C@@H](NC(=O)C[NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Br)cc1 ZINC000420358503 566273195 /nfs/dbraw/zinc/27/31/95/566273195.db2.gz JGQPFIFVSWHMCN-CXAGYDPISA-N 2 2 382.346 3.124 20 0 GGADLP [NH3+]C[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCCC1 ZINC000420362547 566274379 /nfs/dbraw/zinc/27/43/79/566274379.db2.gz ONDHPDWAOXUSKM-CQSZACIVSA-N 2 2 375.847 3.377 20 0 GGADLP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000420382166 566276444 /nfs/dbraw/zinc/27/64/44/566276444.db2.gz YMLRPJONWSFHHQ-MRXNPFEDSA-N 2 2 391.309 3.395 20 0 GGADLP COc1ccc([C@H](C[NH3+])C[N@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000420382166 566276449 /nfs/dbraw/zinc/27/64/49/566276449.db2.gz YMLRPJONWSFHHQ-MRXNPFEDSA-N 2 2 391.309 3.395 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000535084025 566276610 /nfs/dbraw/zinc/27/66/10/566276610.db2.gz YXKXIONYQTUNDD-LBPRGKRZSA-N 2 2 395.276 3.140 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000535084025 566276617 /nfs/dbraw/zinc/27/66/17/566276617.db2.gz YXKXIONYQTUNDD-LBPRGKRZSA-N 2 2 395.276 3.140 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 ZINC000482023281 566277189 /nfs/dbraw/zinc/27/71/89/566277189.db2.gz ZIVCOTYJDHDBGF-UHFFFAOYSA-N 2 2 380.945 3.152 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482032782 566277708 /nfs/dbraw/zinc/27/77/08/566277708.db2.gz MPIBZEUDRRLMTK-MSOLQXFVSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482032782 566277713 /nfs/dbraw/zinc/27/77/13/566277713.db2.gz MPIBZEUDRRLMTK-MSOLQXFVSA-N 2 2 396.373 3.433 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000625185205 566287095 /nfs/dbraw/zinc/28/70/95/566287095.db2.gz ORHLKBBNAQSXOT-KBXCAEBGSA-N 2 2 392.341 3.120 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000625185205 566287100 /nfs/dbraw/zinc/28/71/00/566287100.db2.gz ORHLKBBNAQSXOT-KBXCAEBGSA-N 2 2 392.341 3.120 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208179 566288402 /nfs/dbraw/zinc/28/84/02/566288402.db2.gz NBZMHYQVRHIYRW-KSSFIOAISA-N 2 2 394.357 3.366 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208179 566288409 /nfs/dbraw/zinc/28/84/09/566288409.db2.gz NBZMHYQVRHIYRW-KSSFIOAISA-N 2 2 394.357 3.366 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208179 566288418 /nfs/dbraw/zinc/28/84/18/566288418.db2.gz NBZMHYQVRHIYRW-KSSFIOAISA-N 2 2 394.357 3.366 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208179 566288426 /nfs/dbraw/zinc/28/84/26/566288426.db2.gz NBZMHYQVRHIYRW-KSSFIOAISA-N 2 2 394.357 3.366 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625199674 566288707 /nfs/dbraw/zinc/28/87/07/566288707.db2.gz IXRUVFVYBPHUED-KBXCAEBGSA-N 2 2 394.357 3.366 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625199674 566288715 /nfs/dbraw/zinc/28/87/15/566288715.db2.gz IXRUVFVYBPHUED-KBXCAEBGSA-N 2 2 394.357 3.366 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625199680 566288875 /nfs/dbraw/zinc/28/88/75/566288875.db2.gz IXRUVFVYBPHUED-RDTXWAMCSA-N 2 2 394.357 3.366 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625199680 566288880 /nfs/dbraw/zinc/28/88/80/566288880.db2.gz IXRUVFVYBPHUED-RDTXWAMCSA-N 2 2 394.357 3.366 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221494 566291392 /nfs/dbraw/zinc/29/13/92/566291392.db2.gz AYIXLZJVFAAOGN-ZTFGCOKTSA-N 2 2 392.341 3.119 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221494 566291396 /nfs/dbraw/zinc/29/13/96/566291396.db2.gz AYIXLZJVFAAOGN-ZTFGCOKTSA-N 2 2 392.341 3.119 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221494 566291399 /nfs/dbraw/zinc/29/13/99/566291399.db2.gz AYIXLZJVFAAOGN-ZTFGCOKTSA-N 2 2 392.341 3.119 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221494 566291403 /nfs/dbraw/zinc/29/14/03/566291403.db2.gz AYIXLZJVFAAOGN-ZTFGCOKTSA-N 2 2 392.341 3.119 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Br)c1OC ZINC000535315583 566296540 /nfs/dbraw/zinc/29/65/40/566296540.db2.gz YIBSPBKDUIADGD-CYBMUJFWSA-N 2 2 380.286 3.189 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)c(Br)c1OC ZINC000535315583 566296550 /nfs/dbraw/zinc/29/65/50/566296550.db2.gz YIBSPBKDUIADGD-CYBMUJFWSA-N 2 2 380.286 3.189 20 0 GGADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000462420291 566299137 /nfs/dbraw/zinc/29/91/37/566299137.db2.gz USUCLGAJVVWDMD-HKUYNNGSSA-N 2 2 382.335 3.342 20 0 GGADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000462420291 566299144 /nfs/dbraw/zinc/29/91/44/566299144.db2.gz USUCLGAJVVWDMD-HKUYNNGSSA-N 2 2 382.335 3.342 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462412150 566299435 /nfs/dbraw/zinc/29/94/35/566299435.db2.gz ZIRKCWCLLYBRDQ-ZBEGNZNMSA-N 2 2 375.822 3.371 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462412150 566299443 /nfs/dbraw/zinc/29/94/43/566299443.db2.gz ZIRKCWCLLYBRDQ-ZBEGNZNMSA-N 2 2 375.822 3.371 20 0 GGADLP Cc1nc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)sc1Br ZINC000648655877 566301212 /nfs/dbraw/zinc/30/12/12/566301212.db2.gz DQPLWRJVFYCQHM-UHFFFAOYSA-N 2 2 378.299 3.393 20 0 GGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1Br ZINC000482545211 566316077 /nfs/dbraw/zinc/31/60/77/566316077.db2.gz XUIBZAMJRRTALR-PBHICJAKSA-N 2 2 382.346 3.077 20 0 GGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1Br ZINC000482545211 566316082 /nfs/dbraw/zinc/31/60/82/566316082.db2.gz XUIBZAMJRRTALR-PBHICJAKSA-N 2 2 382.346 3.077 20 0 GGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(I)c2)C1 ZINC000556601619 566316606 /nfs/dbraw/zinc/31/66/06/566316606.db2.gz QTDWKBDNIRYVPR-INIZCTEOSA-N 2 2 384.305 3.455 20 0 GGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc(I)c2)C1 ZINC000556601619 566316613 /nfs/dbraw/zinc/31/66/13/566316613.db2.gz QTDWKBDNIRYVPR-INIZCTEOSA-N 2 2 384.305 3.455 20 0 GGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc(I)c2)C1 ZINC000556601619 566316619 /nfs/dbraw/zinc/31/66/19/566316619.db2.gz QTDWKBDNIRYVPR-INIZCTEOSA-N 2 2 384.305 3.455 20 0 GGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000556601619 566316625 /nfs/dbraw/zinc/31/66/25/566316625.db2.gz QTDWKBDNIRYVPR-INIZCTEOSA-N 2 2 384.305 3.455 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CC[NH+](C[C@@H]4CCCO4)CC3)c12 ZINC000669647753 566316701 /nfs/dbraw/zinc/31/67/01/566316701.db2.gz WBMOOKKMMZABQK-ZDUSSCGKSA-N 2 2 394.288 3.437 20 0 GGADLP Cc1[nH+]cc(C[NH2+][C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)n1C ZINC000576122475 566318404 /nfs/dbraw/zinc/31/84/04/566318404.db2.gz CSHSWLWWLORCJY-QGZVFWFLSA-N 2 2 391.313 3.085 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c12 ZINC000669654906 566318617 /nfs/dbraw/zinc/31/86/17/566318617.db2.gz NXRMZUPLLQGIFO-ZDUSSCGKSA-N 2 2 394.288 3.224 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482633908 566323578 /nfs/dbraw/zinc/32/35/78/566323578.db2.gz XYUCZLNBEXWGKL-CABCVRRESA-N 2 2 386.323 3.137 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482741632 566329808 /nfs/dbraw/zinc/32/98/08/566329808.db2.gz GNIOZXOTFBXMBD-WMZOPIPTSA-N 2 2 397.357 3.345 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482741624 566330430 /nfs/dbraw/zinc/33/04/30/566330430.db2.gz GNIOZXOTFBXMBD-AEFFLSMTSA-N 2 2 397.357 3.345 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482750094 566330676 /nfs/dbraw/zinc/33/06/76/566330676.db2.gz BFRZRHCBONARCL-RDTXWAMCSA-N 2 2 385.321 3.258 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000536067718 566348163 /nfs/dbraw/zinc/34/81/63/566348163.db2.gz XCQXWNKPLPUZRZ-CYBMUJFWSA-N 2 2 377.286 3.001 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000536067718 566348168 /nfs/dbraw/zinc/34/81/68/566348168.db2.gz XCQXWNKPLPUZRZ-CYBMUJFWSA-N 2 2 377.286 3.001 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699502 566352481 /nfs/dbraw/zinc/35/24/81/566352481.db2.gz FOHBDBVKWSOVHD-WBVHZDCISA-N 2 2 385.371 3.071 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699502 566352489 /nfs/dbraw/zinc/35/24/89/566352489.db2.gz FOHBDBVKWSOVHD-WBVHZDCISA-N 2 2 385.371 3.071 20 0 GGADLP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699502 566352498 /nfs/dbraw/zinc/35/24/98/566352498.db2.gz FOHBDBVKWSOVHD-WBVHZDCISA-N 2 2 385.371 3.071 20 0 GGADLP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699502 566352506 /nfs/dbraw/zinc/35/25/06/566352506.db2.gz FOHBDBVKWSOVHD-WBVHZDCISA-N 2 2 385.371 3.071 20 0 GGADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699496 566353230 /nfs/dbraw/zinc/35/32/30/566353230.db2.gz FOHBDBVKWSOVHD-DOTOQJQBSA-N 2 2 385.371 3.071 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699496 566353234 /nfs/dbraw/zinc/35/32/34/566353234.db2.gz FOHBDBVKWSOVHD-DOTOQJQBSA-N 2 2 385.371 3.071 20 0 GGADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699496 566353241 /nfs/dbraw/zinc/35/32/41/566353241.db2.gz FOHBDBVKWSOVHD-DOTOQJQBSA-N 2 2 385.371 3.071 20 0 GGADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699496 566353248 /nfs/dbraw/zinc/35/32/48/566353248.db2.gz FOHBDBVKWSOVHD-DOTOQJQBSA-N 2 2 385.371 3.071 20 0 GGADLP Brc1cc2c(c(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c1)OCC2 ZINC000462796010 566354959 /nfs/dbraw/zinc/35/49/59/566354959.db2.gz IFOLTVYMESTECO-KRWDZBQOSA-N 2 2 375.266 3.432 20 0 GGADLP Brc1cc2c(c(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)c1)OCC2 ZINC000462796010 566354964 /nfs/dbraw/zinc/35/49/64/566354964.db2.gz IFOLTVYMESTECO-KRWDZBQOSA-N 2 2 375.266 3.432 20 0 GGADLP C[NH2+]C[C@](C)(O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000576590174 566361533 /nfs/dbraw/zinc/36/15/33/566361533.db2.gz RUJSMEHIYPHCMD-BZNIZROVSA-N 2 2 384.343 3.194 20 0 GGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446822892 566368191 /nfs/dbraw/zinc/36/81/91/566368191.db2.gz ZBIATQTUUPHBOI-WMLDXEAASA-N 2 2 386.765 3.389 20 0 GGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446822892 566368195 /nfs/dbraw/zinc/36/81/95/566368195.db2.gz ZBIATQTUUPHBOI-WMLDXEAASA-N 2 2 386.765 3.389 20 0 GGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000462939296 566370128 /nfs/dbraw/zinc/37/01/28/566370128.db2.gz LOCVVQPDHOVIQJ-YCPHGPKFSA-N 2 2 385.346 3.344 20 0 GGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000462939296 566370131 /nfs/dbraw/zinc/37/01/31/566370131.db2.gz LOCVVQPDHOVIQJ-YCPHGPKFSA-N 2 2 385.346 3.344 20 0 GGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000462939294 566370383 /nfs/dbraw/zinc/37/03/83/566370383.db2.gz LOCVVQPDHOVIQJ-IJEWVQPXSA-N 2 2 385.346 3.344 20 0 GGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000462939294 566370384 /nfs/dbraw/zinc/37/03/84/566370384.db2.gz LOCVVQPDHOVIQJ-IJEWVQPXSA-N 2 2 385.346 3.344 20 0 GGADLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000462948867 566371459 /nfs/dbraw/zinc/37/14/59/566371459.db2.gz VCFUXHFSGFPDKQ-AWEZNQCLSA-N 2 2 385.346 3.345 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cc(F)ccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000536413579 566371685 /nfs/dbraw/zinc/37/16/85/566371685.db2.gz DCMBBPFHMOMDED-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cc(F)ccc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000536413579 566371692 /nfs/dbraw/zinc/37/16/92/566371692.db2.gz DCMBBPFHMOMDED-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP C[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000576716758 566372459 /nfs/dbraw/zinc/37/24/59/566372459.db2.gz WKVZDFOFTJKMIC-GUYCJALGSA-N 2 2 377.941 3.225 20 0 GGADLP C[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000576716758 566372462 /nfs/dbraw/zinc/37/24/62/566372462.db2.gz WKVZDFOFTJKMIC-GUYCJALGSA-N 2 2 377.941 3.225 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483332850 566373401 /nfs/dbraw/zinc/37/34/01/566373401.db2.gz AECOQKDGFVRJBQ-UHFFFAOYSA-N 2 2 389.301 3.057 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(-c2cccc(Br)c2)nn1 ZINC000483332850 566373406 /nfs/dbraw/zinc/37/34/06/566373406.db2.gz AECOQKDGFVRJBQ-UHFFFAOYSA-N 2 2 389.301 3.057 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc2ccc(Br)cc2o1 ZINC000463119692 566386104 /nfs/dbraw/zinc/38/61/04/566386104.db2.gz QBECNDFVRQBFNT-UKPHBRMFSA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1nc2ccc(Br)cc2o1 ZINC000463119692 566386114 /nfs/dbraw/zinc/38/61/14/566386114.db2.gz QBECNDFVRQBFNT-UKPHBRMFSA-N 2 2 394.313 3.274 20 0 GGADLP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000447093049 566386559 /nfs/dbraw/zinc/38/65/59/566386559.db2.gz GLLAVWMUZXUYOV-QGZVFWFLSA-N 2 2 394.357 3.407 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(Cl)sc1Cl ZINC000536583951 566386818 /nfs/dbraw/zinc/38/68/18/566386818.db2.gz FFPMCLOBHDUOPU-UHFFFAOYSA-N 2 2 393.384 3.222 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cc(Cl)sc1Cl ZINC000536583951 566386822 /nfs/dbraw/zinc/38/68/22/566386822.db2.gz FFPMCLOBHDUOPU-UHFFFAOYSA-N 2 2 393.384 3.222 20 0 GGADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1Cl ZINC000510488203 566387304 /nfs/dbraw/zinc/38/73/04/566387304.db2.gz FBNPHJAVURTMKR-HNNXBMFYSA-N 2 2 377.941 3.397 20 0 GGADLP CCn1c(C[NH2+]C2CC[NH+](CCOC)CC2)nc2cc(Br)ccc21 ZINC000483502583 566387923 /nfs/dbraw/zinc/38/79/23/566387923.db2.gz NEXBFUZOIJIMPN-UHFFFAOYSA-N 2 2 395.345 3.019 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+]([C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536733230 566398156 /nfs/dbraw/zinc/39/81/56/566398156.db2.gz WRPIDMYTBHTQHM-QGZVFWFLSA-N 2 2 375.314 3.382 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000483739247 566399339 /nfs/dbraw/zinc/39/93/39/566399339.db2.gz DFPSCPANQLJZIH-XEZPLFJOSA-N 2 2 392.345 3.472 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000483739247 566399344 /nfs/dbraw/zinc/39/93/44/566399344.db2.gz DFPSCPANQLJZIH-XEZPLFJOSA-N 2 2 392.345 3.472 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000483739243 566399507 /nfs/dbraw/zinc/39/95/07/566399507.db2.gz DFPSCPANQLJZIH-DVOMOZLQSA-N 2 2 392.345 3.472 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000483739243 566399516 /nfs/dbraw/zinc/39/95/16/566399516.db2.gz DFPSCPANQLJZIH-DVOMOZLQSA-N 2 2 392.345 3.472 20 0 GGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1OCCCO ZINC000463367439 566403455 /nfs/dbraw/zinc/40/34/55/566403455.db2.gz GPBAXJWUZXVQGT-CQSZACIVSA-N 2 2 382.302 3.148 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000536872501 566406897 /nfs/dbraw/zinc/40/68/97/566406897.db2.gz UUQLDKFKMYZXNH-GUYCJALGSA-N 2 2 380.330 3.158 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000536872501 566406906 /nfs/dbraw/zinc/40/69/06/566406906.db2.gz UUQLDKFKMYZXNH-GUYCJALGSA-N 2 2 380.330 3.158 20 0 GGADLP CC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000463403622 566407082 /nfs/dbraw/zinc/40/70/82/566407082.db2.gz KKXCWNYGGZAZND-GOSISDBHSA-N 2 2 394.357 3.327 20 0 GGADLP CN(C(=O)CSc1ccccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477940 566408583 /nfs/dbraw/zinc/40/85/83/566408583.db2.gz NEERAQKKIKKYQX-MRXNPFEDSA-N 2 2 381.973 3.059 20 0 GGADLP CN(C(=O)CSc1ccccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477940 566408587 /nfs/dbraw/zinc/40/85/87/566408587.db2.gz NEERAQKKIKKYQX-MRXNPFEDSA-N 2 2 381.973 3.059 20 0 GGADLP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000577153613 566409806 /nfs/dbraw/zinc/40/98/06/566409806.db2.gz YZHQCIOJXBVFBE-MAUKXSAKSA-N 2 2 396.373 3.431 20 0 GGADLP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000577153613 566409808 /nfs/dbraw/zinc/40/98/08/566409808.db2.gz YZHQCIOJXBVFBE-MAUKXSAKSA-N 2 2 396.373 3.431 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577221359 566416353 /nfs/dbraw/zinc/41/63/53/566416353.db2.gz IYTPMOAQXALGPM-ZLENFMNRSA-N 2 2 386.323 3.149 20 0 GGADLP Cc1ncc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510874306 566417277 /nfs/dbraw/zinc/41/72/77/566417277.db2.gz ZAZKITSQTOPKEH-UHFFFAOYSA-N 2 2 376.258 3.039 20 0 GGADLP Cc1ncc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510874306 566417288 /nfs/dbraw/zinc/41/72/88/566417288.db2.gz ZAZKITSQTOPKEH-UHFFFAOYSA-N 2 2 376.258 3.039 20 0 GGADLP OCc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510901478 566419619 /nfs/dbraw/zinc/41/96/19/566419619.db2.gz HWOXFXJDMFIBMY-UHFFFAOYSA-N 2 2 390.281 3.433 20 0 GGADLP OCc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cc1 ZINC000510901478 566419621 /nfs/dbraw/zinc/41/96/21/566419621.db2.gz HWOXFXJDMFIBMY-UHFFFAOYSA-N 2 2 390.281 3.433 20 0 GGADLP COC(=O)C(C)(C)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510922941 566421515 /nfs/dbraw/zinc/42/15/15/566421515.db2.gz WFOMGQJJJQCDMD-UHFFFAOYSA-N 2 2 398.301 3.330 20 0 GGADLP COC(=O)C(C)(C)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510922941 566421520 /nfs/dbraw/zinc/42/15/20/566421520.db2.gz WFOMGQJJJQCDMD-UHFFFAOYSA-N 2 2 398.301 3.330 20 0 GGADLP COc1cc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccn1 ZINC000510955396 566423039 /nfs/dbraw/zinc/42/30/39/566423039.db2.gz XMKGYEDLDPKBMR-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP COc1cc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)ccn1 ZINC000510955396 566423047 /nfs/dbraw/zinc/42/30/47/566423047.db2.gz XMKGYEDLDPKBMR-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000537307585 566437957 /nfs/dbraw/zinc/43/79/57/566437957.db2.gz CCFRMKODIUELDU-FASAQXTFSA-N 2 2 397.357 3.486 20 0 GGADLP Cn1cc(CCC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000671702355 566442567 /nfs/dbraw/zinc/44/25/67/566442567.db2.gz ULDVYTIMTITNCO-UHFFFAOYSA-N 2 2 392.301 3.107 20 0 GGADLP Cn1cc(CCC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000671702355 566442573 /nfs/dbraw/zinc/44/25/73/566442573.db2.gz ULDVYTIMTITNCO-UHFFFAOYSA-N 2 2 392.301 3.107 20 0 GGADLP CN(C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+](C)C1 ZINC000464061104 566444958 /nfs/dbraw/zinc/44/49/58/566444958.db2.gz ZHQWVUQARNJRDC-MSOLQXFVSA-N 2 2 394.357 3.139 20 0 GGADLP CN(C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+](C)C1 ZINC000464061104 566444964 /nfs/dbraw/zinc/44/49/64/566444964.db2.gz ZHQWVUQARNJRDC-MSOLQXFVSA-N 2 2 394.357 3.139 20 0 GGADLP CN(C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000464061107 566444979 /nfs/dbraw/zinc/44/49/79/566444979.db2.gz ZHQWVUQARNJRDC-ZWKOTPCHSA-N 2 2 394.357 3.139 20 0 GGADLP CN(C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000464061107 566444986 /nfs/dbraw/zinc/44/49/86/566444986.db2.gz ZHQWVUQARNJRDC-ZWKOTPCHSA-N 2 2 394.357 3.139 20 0 GGADLP CN(C(=O)c1ccc(C(F)(F)F)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000671720639 566445701 /nfs/dbraw/zinc/44/57/01/566445701.db2.gz RUQNQHNOFNSPSN-ZDUSSCGKSA-N 2 2 375.460 3.007 20 0 GGADLP CN(C(=O)c1ccc(C(F)(F)F)s1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000671720639 566445708 /nfs/dbraw/zinc/44/57/08/566445708.db2.gz RUQNQHNOFNSPSN-ZDUSSCGKSA-N 2 2 375.460 3.007 20 0 GGADLP Cc1nn(C)c(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)c1Br ZINC000447936853 566446881 /nfs/dbraw/zinc/44/68/81/566446881.db2.gz SKXRGMSXORTNJL-UHFFFAOYSA-N 2 2 377.330 3.029 20 0 GGADLP Cc1nn(C)c(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)c1Br ZINC000447936853 566446886 /nfs/dbraw/zinc/44/68/86/566446886.db2.gz SKXRGMSXORTNJL-UHFFFAOYSA-N 2 2 377.330 3.029 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000577603158 566448869 /nfs/dbraw/zinc/44/88/69/566448869.db2.gz GIBZJRWEMZWSGY-CHWSQXEVSA-N 2 2 381.307 3.394 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000577603158 566448874 /nfs/dbraw/zinc/44/88/74/566448874.db2.gz GIBZJRWEMZWSGY-CHWSQXEVSA-N 2 2 381.307 3.394 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000602203442 566453430 /nfs/dbraw/zinc/45/34/30/566453430.db2.gz OJMUDZRIHFVKFF-INIZCTEOSA-N 2 2 384.351 3.211 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000602203442 566453436 /nfs/dbraw/zinc/45/34/36/566453436.db2.gz OJMUDZRIHFVKFF-INIZCTEOSA-N 2 2 384.351 3.211 20 0 GGADLP C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602201148 566453650 /nfs/dbraw/zinc/45/36/50/566453650.db2.gz JGXCWDWYAMKDQO-ZBFHGGJFSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602201148 566453657 /nfs/dbraw/zinc/45/36/57/566453657.db2.gz JGXCWDWYAMKDQO-ZBFHGGJFSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000422634565 566459658 /nfs/dbraw/zinc/45/96/58/566459658.db2.gz JVOWROOKQXDEIY-IPYPFGDCSA-N 2 2 393.329 3.228 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000422634565 566459664 /nfs/dbraw/zinc/45/96/64/566459664.db2.gz JVOWROOKQXDEIY-IPYPFGDCSA-N 2 2 393.329 3.228 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C[C@H]1C[NH3+] ZINC000422635309 566459904 /nfs/dbraw/zinc/45/99/04/566459904.db2.gz LHSVLQRANQIZCG-OUAUKWLOSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C[C@H]1C[NH3+] ZINC000422635309 566459907 /nfs/dbraw/zinc/45/99/07/566459907.db2.gz LHSVLQRANQIZCG-OUAUKWLOSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)C1C[NH2+]C1 ZINC000422789111 566462697 /nfs/dbraw/zinc/46/26/97/566462697.db2.gz AYHOUAKNMRWSIY-ORAYPTAESA-N 2 2 378.925 3.030 20 0 GGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422738016 566463482 /nfs/dbraw/zinc/46/34/82/566463482.db2.gz YGGJCWRVHPNSLT-WMLDXEAASA-N 2 2 386.367 3.314 20 0 GGADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000484908692 566463629 /nfs/dbraw/zinc/46/36/29/566463629.db2.gz RECASFDLAATMGO-UWVGGRQHSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000484908692 566463635 /nfs/dbraw/zinc/46/36/35/566463635.db2.gz RECASFDLAATMGO-UWVGGRQHSA-N 2 2 394.235 3.076 20 0 GGADLP CCC[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@@H+]1CCOC ZINC000537707424 566464633 /nfs/dbraw/zinc/46/46/33/566464633.db2.gz ZUAAYNYKKLOERJ-INIZCTEOSA-N 2 2 395.345 3.030 20 0 GGADLP CCC[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@H+]1CCOC ZINC000537707424 566464637 /nfs/dbraw/zinc/46/46/37/566464637.db2.gz ZUAAYNYKKLOERJ-INIZCTEOSA-N 2 2 395.345 3.030 20 0 GGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422876457 566465126 /nfs/dbraw/zinc/46/51/26/566465126.db2.gz FXQRTHOJFGUJSD-HOCLYGCPSA-N 2 2 387.351 3.398 20 0 GGADLP Cc1cc(Br)cn2c(CNc3[nH+]c4ccc(F)cc4n3C)c[nH+]c12 ZINC000464355495 566469820 /nfs/dbraw/zinc/46/98/20/566469820.db2.gz MIMCPWHKTCBMIG-UHFFFAOYSA-N 2 2 388.244 3.465 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)[nH+]c12 ZINC000423040270 566471337 /nfs/dbraw/zinc/47/13/37/566471337.db2.gz SWPOLSVGSGEATM-RCCFBDPRSA-N 3 2 391.357 3.458 20 0 GGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423038654 566471688 /nfs/dbraw/zinc/47/16/88/566471688.db2.gz YWPVMPFFJAHHGK-LIRRHRJNSA-N 2 2 386.367 3.314 20 0 GGADLP C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423092968 566475257 /nfs/dbraw/zinc/47/52/57/566475257.db2.gz FBRONCQQEKLYBS-FZQKWOKYSA-N 2 2 381.236 3.231 20 0 GGADLP C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423092970 566475563 /nfs/dbraw/zinc/47/55/63/566475563.db2.gz FBRONCQQEKLYBS-HERUPUMHSA-N 2 2 381.236 3.231 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1=O ZINC000423100581 566475648 /nfs/dbraw/zinc/47/56/48/566475648.db2.gz BWJWVYMUUMLNEU-PVAVHDDUSA-N 2 2 394.357 3.291 20 0 GGADLP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423145361 566478986 /nfs/dbraw/zinc/47/89/86/566478986.db2.gz KKEZOWJEIVCFPX-DNVCBOLYSA-N 2 2 380.941 3.052 20 0 GGADLP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423151295 566479013 /nfs/dbraw/zinc/47/90/13/566479013.db2.gz CKRQYOSCRBHPTD-NOZJJQNGSA-N 2 2 377.124 3.084 20 0 GGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423140962 566479076 /nfs/dbraw/zinc/47/90/76/566479076.db2.gz ZXABNESXVVUVKQ-OCCSQVGLSA-N 2 2 387.749 3.491 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423206340 566482429 /nfs/dbraw/zinc/48/24/29/566482429.db2.gz BVSOYIFPRWBYAA-IPYPFGDCSA-N 2 2 392.345 3.377 20 0 GGADLP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423258273 566483657 /nfs/dbraw/zinc/48/36/57/566483657.db2.gz BEWADXHLVILJBO-IRXDYDNUSA-N 2 2 387.977 3.196 20 0 GGADLP C[NH2+]C[C@@H](C)C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423273962 566484390 /nfs/dbraw/zinc/48/43/90/566484390.db2.gz LMWDXJBKKUFLBE-KUHUBIRLSA-N 2 2 380.941 3.278 20 0 GGADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CC2([NH3+])CCC2)c2ccc(Cl)cc2)c1 ZINC000423318788 566486665 /nfs/dbraw/zinc/48/66/65/566486665.db2.gz DQQQHVFHJUNABH-GOSISDBHSA-N 2 2 378.925 3.304 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000423397790 566488884 /nfs/dbraw/zinc/48/88/84/566488884.db2.gz UXTMUXWDADKJOL-TYNCELHUSA-N 2 2 378.318 3.129 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000423397788 566488951 /nfs/dbraw/zinc/48/89/51/566488951.db2.gz UXTMUXWDADKJOL-HUBLWGQQSA-N 2 2 378.318 3.129 20 0 GGADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000423514171 566490433 /nfs/dbraw/zinc/49/04/33/566490433.db2.gz MDFPPPVZVUVSON-WFASDCNBSA-N 2 2 394.279 3.412 20 0 GGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423509159 566491071 /nfs/dbraw/zinc/49/10/71/566491071.db2.gz ITUKXYRSBNSPDS-RBUKOAKNSA-N 2 2 392.316 3.171 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423487358 566491193 /nfs/dbraw/zinc/49/11/93/566491193.db2.gz CMJJUNDXHDXKFS-PWSUYJOCSA-N 2 2 381.236 3.497 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cnn1-c1ccc(Cl)cc1Cl ZINC000423525475 566491914 /nfs/dbraw/zinc/49/19/14/566491914.db2.gz UCOPPPFWESFUTN-WFASDCNBSA-N 2 2 382.339 3.042 20 0 GGADLP Fc1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2cccc(Br)c2)c1 ZINC000423580195 566492242 /nfs/dbraw/zinc/49/22/42/566492242.db2.gz XILDFLIDHPUQHT-ZWKOTPCHSA-N 2 2 379.273 3.256 20 0 GGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423529289 566493229 /nfs/dbraw/zinc/49/32/29/566493229.db2.gz XRFTWVYGTSRJGU-HZPDHXFCSA-N 2 2 376.957 3.334 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCN2C)cnn1-c1ccc(Cl)cc1Cl ZINC000423525474 566493461 /nfs/dbraw/zinc/49/34/61/566493461.db2.gz UCOPPPFWESFUTN-SWLSCSKDSA-N 2 2 382.339 3.042 20 0 GGADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423544780 566493495 /nfs/dbraw/zinc/49/34/95/566493495.db2.gz CJYFYMLAJCCIKY-SMDDNHRTSA-N 2 2 381.236 3.497 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000512015940 566505127 /nfs/dbraw/zinc/50/51/27/566505127.db2.gz QSDBNXVVKJDZDX-UHFFFAOYSA-N 2 2 394.850 3.441 20 0 GGADLP C[NH+](C)CC[C@@H]([NH2+]Cc1ncc(I)s1)C(C)(C)C ZINC000512050664 566508076 /nfs/dbraw/zinc/50/80/76/566508076.db2.gz DHGZSIPSZGOTRO-SNVBAGLBSA-N 2 2 381.327 3.204 20 0 GGADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cscc1Br ZINC000512053666 566508122 /nfs/dbraw/zinc/50/81/22/566508122.db2.gz SMQXTQMFXAZPNZ-AEFFLSMTSA-N 2 2 395.366 3.483 20 0 GGADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cscc1Br ZINC000512053666 566508127 /nfs/dbraw/zinc/50/81/27/566508127.db2.gz SMQXTQMFXAZPNZ-AEFFLSMTSA-N 2 2 395.366 3.483 20 0 GGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(Br)c1 ZINC000512054958 566509009 /nfs/dbraw/zinc/50/90/09/566509009.db2.gz WEFNNWPOSFFTDH-MOPGFXCFSA-N 2 2 397.357 3.315 20 0 GGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Br)c1 ZINC000512054960 566509266 /nfs/dbraw/zinc/50/92/66/566509266.db2.gz WEFNNWPOSFFTDH-RBUKOAKNSA-N 2 2 397.357 3.315 20 0 GGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Br)c1 ZINC000512054961 566510110 /nfs/dbraw/zinc/51/01/10/566510110.db2.gz WEFNNWPOSFFTDH-RTBURBONSA-N 2 2 397.357 3.315 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000512100015 566513164 /nfs/dbraw/zinc/51/31/64/566513164.db2.gz QXCMUBNGJNELHC-CQSZACIVSA-N 2 2 395.370 3.336 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)s1 ZINC000512097650 566513482 /nfs/dbraw/zinc/51/34/82/566513482.db2.gz FIYILCSNXASHMC-UHFFFAOYSA-N 2 2 398.326 3.028 20 0 GGADLP Cn1cc[nH+]c1[C@@H](NCc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000512132987 566515293 /nfs/dbraw/zinc/51/52/93/566515293.db2.gz WTEFNTLLICKMKY-KRWDZBQOSA-N 2 2 375.929 3.471 20 0 GGADLP O[C@H](C[NH2+]Cc1cscc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000512124513 566515780 /nfs/dbraw/zinc/51/57/80/566515780.db2.gz SDYDNIFJSJZCCO-MRXNPFEDSA-N 2 2 381.339 3.019 20 0 GGADLP O[C@H](C[NH2+]Cc1cscc1Br)C[N@H+]1CCc2ccccc2C1 ZINC000512124513 566515785 /nfs/dbraw/zinc/51/57/85/566515785.db2.gz SDYDNIFJSJZCCO-MRXNPFEDSA-N 2 2 381.339 3.019 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000558975879 566517858 /nfs/dbraw/zinc/51/78/58/566517858.db2.gz FMZXVUZYMVNULN-ROUUACIJSA-N 2 2 394.357 3.146 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000558975879 566517860 /nfs/dbraw/zinc/51/78/60/566517860.db2.gz FMZXVUZYMVNULN-ROUUACIJSA-N 2 2 394.357 3.146 20 0 GGADLP Brc1cccc2c(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccnc12 ZINC000449030259 566523948 /nfs/dbraw/zinc/52/39/48/566523948.db2.gz RAVOUIURCIQEKA-HNNXBMFYSA-N 2 2 390.325 3.151 20 0 GGADLP Brc1cccc2c(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)ccnc12 ZINC000449030259 566523950 /nfs/dbraw/zinc/52/39/50/566523950.db2.gz RAVOUIURCIQEKA-HNNXBMFYSA-N 2 2 390.325 3.151 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(F)c3Br)ccn2)CC1 ZINC000449082983 566527981 /nfs/dbraw/zinc/52/79/81/566527981.db2.gz RLPPBCWSUJASQE-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP Oc1ccc(Br)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000512400028 566530713 /nfs/dbraw/zinc/53/07/13/566530713.db2.gz NYGNBWVLAUDXJN-UHFFFAOYSA-N 2 2 383.330 3.089 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@H]1c1cccs1 ZINC000449162493 566533644 /nfs/dbraw/zinc/53/36/44/566533644.db2.gz SCGMRYZEOCLTNS-LPHOPBHVSA-N 2 2 378.563 3.324 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@H]1c1cccs1 ZINC000449162493 566533648 /nfs/dbraw/zinc/53/36/48/566533648.db2.gz SCGMRYZEOCLTNS-LPHOPBHVSA-N 2 2 378.563 3.324 20 0 GGADLP C[C@H](C[NH2+]Cc1ccnc2c(Br)cccc12)C[NH+]1CCOCC1 ZINC000449161023 566533989 /nfs/dbraw/zinc/53/39/89/566533989.db2.gz DEKPCTVBLYPBNJ-CQSZACIVSA-N 2 2 378.314 3.055 20 0 GGADLP C[C@@H](C[NH2+]Cc1ccnc2c(Br)cccc12)C[NH+]1CCOCC1 ZINC000449161022 566534093 /nfs/dbraw/zinc/53/40/93/566534093.db2.gz DEKPCTVBLYPBNJ-AWEZNQCLSA-N 2 2 378.314 3.055 20 0 GGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(F)c2Br)CC1 ZINC000449190976 566536185 /nfs/dbraw/zinc/53/61/85/566536185.db2.gz RTOCUUYRMWFRNY-IAGOWNOFSA-N 2 2 385.321 3.446 20 0 GGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000559312575 566540704 /nfs/dbraw/zinc/54/07/04/566540704.db2.gz XCCUSLLBRIXKOI-GOSISDBHSA-N 2 2 381.314 3.138 20 0 GGADLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000559312575 566540709 /nfs/dbraw/zinc/54/07/09/566540709.db2.gz XCCUSLLBRIXKOI-GOSISDBHSA-N 2 2 381.314 3.138 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000559312575 566540717 /nfs/dbraw/zinc/54/07/17/566540717.db2.gz XCCUSLLBRIXKOI-GOSISDBHSA-N 2 2 381.314 3.138 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc4c(cc3Br)OCCO4)C2)C1 ZINC000559312575 566540722 /nfs/dbraw/zinc/54/07/22/566540722.db2.gz XCCUSLLBRIXKOI-GOSISDBHSA-N 2 2 381.314 3.138 20 0 GGADLP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)ncc1Br ZINC000628235834 566540982 /nfs/dbraw/zinc/54/09/82/566540982.db2.gz DLEZKPSDACHTAJ-UHFFFAOYSA-N 2 2 396.373 3.477 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000512674068 566548772 /nfs/dbraw/zinc/54/87/72/566548772.db2.gz SSSTXZWLHIWNRC-IAGOWNOFSA-N 2 2 380.374 3.440 20 0 GGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000512674069 566548823 /nfs/dbraw/zinc/54/88/23/566548823.db2.gz SSSTXZWLHIWNRC-IRXDYDNUSA-N 2 2 380.374 3.440 20 0 GGADLP C[C@H]1CN(Cc2cccc(Br)c2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000449324981 566550440 /nfs/dbraw/zinc/55/04/40/566550440.db2.gz IVHKWMIBPSXGLU-AWEZNQCLSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@H]1CN(Cc2cccc(Br)c2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000449324981 566550449 /nfs/dbraw/zinc/55/04/49/566550449.db2.gz IVHKWMIBPSXGLU-AWEZNQCLSA-N 2 2 384.337 3.189 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[N@@H+](C4CC4)C[C@@H](C)C3)c[nH+]c12 ZINC000449344086 566552942 /nfs/dbraw/zinc/55/29/42/566552942.db2.gz APWMMVHLYBDLOI-ZDUSSCGKSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[N@H+](C4CC4)C[C@@H](C)C3)c[nH+]c12 ZINC000449344086 566552945 /nfs/dbraw/zinc/55/29/45/566552945.db2.gz APWMMVHLYBDLOI-ZDUSSCGKSA-N 2 2 377.330 3.321 20 0 GGADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673740962 566553988 /nfs/dbraw/zinc/55/39/88/566553988.db2.gz OHUASMOXSBXOOD-UKRRQHHQSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673740962 566553994 /nfs/dbraw/zinc/55/39/94/566553994.db2.gz OHUASMOXSBXOOD-UKRRQHHQSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539091913 566558188 /nfs/dbraw/zinc/55/81/88/566558188.db2.gz SQRKWXBTQQUNHX-VCBZYWHSSA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539091913 566558191 /nfs/dbraw/zinc/55/81/91/566558191.db2.gz SQRKWXBTQQUNHX-VCBZYWHSSA-N 2 2 378.358 3.348 20 0 GGADLP Brc1cccc(OCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000539091111 566558378 /nfs/dbraw/zinc/55/83/78/566558378.db2.gz UNSOFDNFLUBQBT-UHFFFAOYSA-N 2 2 376.298 3.482 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449398915 566558885 /nfs/dbraw/zinc/55/88/85/566558885.db2.gz WYNJJIQVSQRZFA-OGVSOVDVSA-N 2 2 385.321 3.271 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]([NH2+]C2CC(c3ccc(Br)cc3F)C2)C1 ZINC000449398915 566558891 /nfs/dbraw/zinc/55/88/91/566558891.db2.gz WYNJJIQVSQRZFA-OGVSOVDVSA-N 2 2 385.321 3.271 20 0 GGADLP CC[N@H+](CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000466325562 566565811 /nfs/dbraw/zinc/56/58/11/566565811.db2.gz MJEVOYYVZAINDB-SFHVURJKSA-N 2 2 394.357 3.187 20 0 GGADLP CC[N@@H+](CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000466325562 566565818 /nfs/dbraw/zinc/56/58/18/566565818.db2.gz MJEVOYYVZAINDB-SFHVURJKSA-N 2 2 394.357 3.187 20 0 GGADLP CSc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000449494872 566569225 /nfs/dbraw/zinc/56/92/25/566569225.db2.gz HFNOPMFENCYSES-QGZVFWFLSA-N 2 2 381.611 3.236 20 0 GGADLP CSc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000449494872 566569233 /nfs/dbraw/zinc/56/92/33/566569233.db2.gz HFNOPMFENCYSES-QGZVFWFLSA-N 2 2 381.611 3.236 20 0 GGADLP CSc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000449494872 566569236 /nfs/dbraw/zinc/56/92/36/566569236.db2.gz HFNOPMFENCYSES-QGZVFWFLSA-N 2 2 381.611 3.236 20 0 GGADLP CSc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000449494872 566569241 /nfs/dbraw/zinc/56/92/41/566569241.db2.gz HFNOPMFENCYSES-QGZVFWFLSA-N 2 2 381.611 3.236 20 0 GGADLP CSc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000449494870 566569293 /nfs/dbraw/zinc/56/92/93/566569293.db2.gz HFNOPMFENCYSES-KRWDZBQOSA-N 2 2 381.611 3.236 20 0 GGADLP CSc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000449494870 566569300 /nfs/dbraw/zinc/56/93/00/566569300.db2.gz HFNOPMFENCYSES-KRWDZBQOSA-N 2 2 381.611 3.236 20 0 GGADLP CSc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000449494870 566569308 /nfs/dbraw/zinc/56/93/08/566569308.db2.gz HFNOPMFENCYSES-KRWDZBQOSA-N 2 2 381.611 3.236 20 0 GGADLP CSc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000449494870 566569312 /nfs/dbraw/zinc/56/93/12/566569312.db2.gz HFNOPMFENCYSES-KRWDZBQOSA-N 2 2 381.611 3.236 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)c[nH+]c12 ZINC000449500723 566569376 /nfs/dbraw/zinc/56/93/76/566569376.db2.gz DVCOICKIIUMXAP-IRXDYDNUSA-N 2 2 378.314 3.292 20 0 GGADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000674027758 566572149 /nfs/dbraw/zinc/57/21/49/566572149.db2.gz WNQBSNWQMTXUHT-CYBMUJFWSA-N 2 2 387.355 3.380 20 0 GGADLP Brc1cccc2c(N3CC[NH+](C[C@H]4CCCO4)CC3)cc[nH+]c12 ZINC000674062307 566575247 /nfs/dbraw/zinc/57/52/47/566575247.db2.gz NAHAUBHWTXSLEA-CQSZACIVSA-N 2 2 376.298 3.298 20 0 GGADLP Brc1cccc2c(N3CC[NH+](C[C@@H]4CCCO4)CC3)cc[nH+]c12 ZINC000674062306 566575339 /nfs/dbraw/zinc/57/53/39/566575339.db2.gz NAHAUBHWTXSLEA-AWEZNQCLSA-N 2 2 376.298 3.298 20 0 GGADLP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000449581926 566577484 /nfs/dbraw/zinc/57/74/84/566577484.db2.gz CPJZJQXXZWXMSP-CABCVRRESA-N 2 2 380.286 3.227 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000579138826 566583347 /nfs/dbraw/zinc/58/33/47/566583347.db2.gz XOHIBCFWTAVGBU-CYBMUJFWSA-N 2 2 377.286 3.001 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000579138826 566583357 /nfs/dbraw/zinc/58/33/57/566583357.db2.gz XOHIBCFWTAVGBU-CYBMUJFWSA-N 2 2 377.286 3.001 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000539494218 566583614 /nfs/dbraw/zinc/58/36/14/566583614.db2.gz BTBKSLVEEKVHQI-WFASDCNBSA-N 2 2 394.313 3.186 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000539494218 566583625 /nfs/dbraw/zinc/58/36/25/566583625.db2.gz BTBKSLVEEKVHQI-WFASDCNBSA-N 2 2 394.313 3.186 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1Br ZINC000513162020 566585493 /nfs/dbraw/zinc/58/54/93/566585493.db2.gz WHUZCZXTBIGKGU-XYPWUTKMSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1cc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1Br ZINC000513162020 566585499 /nfs/dbraw/zinc/58/54/99/566585499.db2.gz WHUZCZXTBIGKGU-XYPWUTKMSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1cc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1Br ZINC000513162020 566585506 /nfs/dbraw/zinc/58/55/06/566585506.db2.gz WHUZCZXTBIGKGU-XYPWUTKMSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1cc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1Br ZINC000513162020 566585513 /nfs/dbraw/zinc/58/55/13/566585513.db2.gz WHUZCZXTBIGKGU-XYPWUTKMSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449679707 566588493 /nfs/dbraw/zinc/58/84/93/566588493.db2.gz FADNGCFYLIAAKH-KMFMINBZSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449679707 566588502 /nfs/dbraw/zinc/58/85/02/566588502.db2.gz FADNGCFYLIAAKH-KMFMINBZSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+]Cc1cccc2[nH+]ccn21 ZINC000449684192 566591111 /nfs/dbraw/zinc/59/11/11/566591111.db2.gz OQXJQWZTFAHDBV-OAHLLOKOSA-N 2 2 388.309 3.346 20 0 GGADLP C[NH+](C)[C@]1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCSC1 ZINC000513326305 566595595 /nfs/dbraw/zinc/59/55/95/566595595.db2.gz OYIGWXPUJXCXIP-IBGZPJMESA-N 2 2 385.980 3.470 20 0 GGADLP C[C@H]([NH3+])C1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000579351443 566601664 /nfs/dbraw/zinc/60/16/64/566601664.db2.gz WPSUXJQUAMDLFB-KSSFIOAISA-N 2 2 394.357 3.172 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OC)c(Br)c3)CC2)c1 ZINC000513424782 566602305 /nfs/dbraw/zinc/60/23/05/566602305.db2.gz KHYCSHSMMFHGGA-UHFFFAOYSA-N 2 2 392.297 3.184 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345534 566603302 /nfs/dbraw/zinc/60/33/02/566603302.db2.gz DLGFVQKJOJZBLL-WOSRLPQWSA-N 2 2 386.323 3.150 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345534 566603310 /nfs/dbraw/zinc/60/33/10/566603310.db2.gz DLGFVQKJOJZBLL-WOSRLPQWSA-N 2 2 386.323 3.150 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Br)cc3SC)C2)CC1 ZINC000513450308 566603483 /nfs/dbraw/zinc/60/34/83/566603483.db2.gz IZXUIIOIRBEZPO-KRWDZBQOSA-N 2 2 398.414 3.383 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Br)cc3SC)C2)CC1 ZINC000513450308 566603488 /nfs/dbraw/zinc/60/34/88/566603488.db2.gz IZXUIIOIRBEZPO-KRWDZBQOSA-N 2 2 398.414 3.383 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3cc(Br)cs3)no1)C2 ZINC000652351914 566604959 /nfs/dbraw/zinc/60/49/59/566604959.db2.gz IBLZVFGJYFOONR-BONVTDFDSA-N 2 2 383.315 3.121 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cc(Br)cs3)no1)C2 ZINC000652351914 566604964 /nfs/dbraw/zinc/60/49/64/566604964.db2.gz IBLZVFGJYFOONR-BONVTDFDSA-N 2 2 383.315 3.121 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000652361121 566605121 /nfs/dbraw/zinc/60/51/21/566605121.db2.gz YLXMWTNZRPBPBI-COXVUDFISA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000652361121 566605128 /nfs/dbraw/zinc/60/51/28/566605128.db2.gz YLXMWTNZRPBPBI-COXVUDFISA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000652360766 566605312 /nfs/dbraw/zinc/60/53/12/566605312.db2.gz PYZRLDIBPIUMIN-WQVCFCJDSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000652360766 566605314 /nfs/dbraw/zinc/60/53/14/566605314.db2.gz PYZRLDIBPIUMIN-WQVCFCJDSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000652361124 566605330 /nfs/dbraw/zinc/60/53/30/566605330.db2.gz YLXMWTNZRPBPBI-XYPHTWIQSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000652361124 566605336 /nfs/dbraw/zinc/60/53/36/566605336.db2.gz YLXMWTNZRPBPBI-XYPHTWIQSA-N 2 2 386.323 3.293 20 0 GGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H]1CC[NH3+] ZINC000652354076 566605399 /nfs/dbraw/zinc/60/53/99/566605399.db2.gz MNHDGVUBYUHUQU-RISCZKNCSA-N 2 2 375.847 3.329 20 0 GGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)[C@H]1CC[NH3+] ZINC000652354076 566605405 /nfs/dbraw/zinc/60/54/05/566605405.db2.gz MNHDGVUBYUHUQU-RISCZKNCSA-N 2 2 375.847 3.329 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000652360763 566605697 /nfs/dbraw/zinc/60/56/97/566605697.db2.gz PYZRLDIBPIUMIN-DAXOMENPSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000652360763 566605700 /nfs/dbraw/zinc/60/57/00/566605700.db2.gz PYZRLDIBPIUMIN-DAXOMENPSA-N 2 2 386.323 3.293 20 0 GGADLP Brc1cc2c(cc1C[NH+]1CCC(c3[nH]cc[nH+]3)CC1)OCCO2 ZINC000605421235 566606669 /nfs/dbraw/zinc/60/66/69/566606669.db2.gz RQACECMGRDFMKL-UHFFFAOYSA-N 2 2 378.270 3.323 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cccc(Br)c1 ZINC000605574349 566614377 /nfs/dbraw/zinc/61/43/77/566614377.db2.gz NVAKIPOOZXNXJP-MRXNPFEDSA-N 2 2 377.286 3.311 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1cccc(Br)c1 ZINC000605574349 566614380 /nfs/dbraw/zinc/61/43/80/566614380.db2.gz NVAKIPOOZXNXJP-MRXNPFEDSA-N 2 2 377.286 3.311 20 0 GGADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000579608844 566623867 /nfs/dbraw/zinc/62/38/67/566623867.db2.gz DWLIPCONWJNJGU-VHSXEESVSA-N 2 2 394.235 3.218 20 0 GGADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000579608844 566623872 /nfs/dbraw/zinc/62/38/72/566623872.db2.gz DWLIPCONWJNJGU-VHSXEESVSA-N 2 2 394.235 3.218 20 0 GGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000579608845 566624331 /nfs/dbraw/zinc/62/43/31/566624331.db2.gz DWLIPCONWJNJGU-ZJUUUORDSA-N 2 2 394.235 3.218 20 0 GGADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000579608845 566624336 /nfs/dbraw/zinc/62/43/36/566624336.db2.gz DWLIPCONWJNJGU-ZJUUUORDSA-N 2 2 394.235 3.218 20 0 GGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)n1C ZINC000425333678 566631326 /nfs/dbraw/zinc/63/13/26/566631326.db2.gz FJEBDPJRRHIVSU-INIZCTEOSA-N 2 2 392.345 3.325 20 0 GGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)n1C ZINC000425333678 566631330 /nfs/dbraw/zinc/63/13/30/566631330.db2.gz FJEBDPJRRHIVSU-INIZCTEOSA-N 2 2 392.345 3.325 20 0 GGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000514010208 566637211 /nfs/dbraw/zinc/63/72/11/566637211.db2.gz UUYRTMJWYYJLSS-OAHLLOKOSA-N 2 2 396.373 3.431 20 0 GGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000514010208 566637216 /nfs/dbraw/zinc/63/72/16/566637216.db2.gz UUYRTMJWYYJLSS-OAHLLOKOSA-N 2 2 396.373 3.431 20 0 GGADLP CC(C)[NH+]1CCC([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000514010207 566638153 /nfs/dbraw/zinc/63/81/53/566638153.db2.gz UUYRTMJWYYJLSS-HNNXBMFYSA-N 2 2 396.373 3.431 20 0 GGADLP CC(C)[NH+]1CCC([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 ZINC000514010207 566638160 /nfs/dbraw/zinc/63/81/60/566638160.db2.gz UUYRTMJWYYJLSS-HNNXBMFYSA-N 2 2 396.373 3.431 20 0 GGADLP O=C(NCCC[NH+]1CCCC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000467303021 566640809 /nfs/dbraw/zinc/64/08/09/566640809.db2.gz QSNJZUSNTDVODC-SFHVURJKSA-N 2 2 394.357 3.188 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000653075697 566650023 /nfs/dbraw/zinc/65/00/23/566650023.db2.gz XOPDGUQQSITHQZ-ROUUACIJSA-N 2 2 380.319 3.478 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(c2cccc(Br)c2)CCCCC1 ZINC000653098437 566651454 /nfs/dbraw/zinc/65/14/54/566651454.db2.gz NLJVKLAPPVBOSD-QGZVFWFLSA-N 2 2 396.373 3.046 20 0 GGADLP Cc1sc([C@@H](C)NC(=O)[C@H]([NH3+])CC[NH+](C)C)nc1-c1ccc(Cl)cc1 ZINC000653099016 566651522 /nfs/dbraw/zinc/65/15/22/566651522.db2.gz BQRKMVFWUUHYSK-IAQYHMDHSA-N 2 2 380.945 3.228 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675621189 566654772 /nfs/dbraw/zinc/65/47/72/566654772.db2.gz VDFXANJHFOAHOT-QGZVFWFLSA-N 2 2 381.307 3.485 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000675621189 566654775 /nfs/dbraw/zinc/65/47/75/566654775.db2.gz VDFXANJHFOAHOT-QGZVFWFLSA-N 2 2 381.307 3.485 20 0 GGADLP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000514603644 566655019 /nfs/dbraw/zinc/65/50/19/566655019.db2.gz UJKMVEFFWDWOTE-CQSZACIVSA-N 2 2 375.314 3.338 20 0 GGADLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000514603644 566655024 /nfs/dbraw/zinc/65/50/24/566655024.db2.gz UJKMVEFFWDWOTE-CQSZACIVSA-N 2 2 375.314 3.338 20 0 GGADLP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1n[nH]cc1Br)c1ccccc1O2 ZINC000540494919 566655009 /nfs/dbraw/zinc/65/50/09/566655009.db2.gz MKSSDMXRRFQOTL-OAHLLOKOSA-N 2 2 391.313 3.250 20 0 GGADLP CC(C)(O)C[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450302160 566656162 /nfs/dbraw/zinc/65/61/62/566656162.db2.gz GXVHMDQOAFYVLL-UHFFFAOYSA-N 2 2 382.277 3.029 20 0 GGADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000580055488 566661283 /nfs/dbraw/zinc/66/12/83/566661283.db2.gz ULLGGLXHOOOGDO-YJBOKZPZSA-N 2 2 386.323 3.150 20 0 GGADLP Fc1cc2[nH+]ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c2cc1Br ZINC000450354991 566662414 /nfs/dbraw/zinc/66/24/14/566662414.db2.gz PAYDAKQSKNECSQ-ZDUSSCGKSA-N 2 2 394.288 3.295 20 0 GGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC000629550197 566664157 /nfs/dbraw/zinc/66/41/57/566664157.db2.gz NEWIYUXCNDXMQQ-CYBMUJFWSA-N 2 2 397.342 3.393 20 0 GGADLP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H](Sc3ccc(Br)cc3)C2)n1 ZINC000629550197 566664164 /nfs/dbraw/zinc/66/41/64/566664164.db2.gz NEWIYUXCNDXMQQ-CYBMUJFWSA-N 2 2 397.342 3.393 20 0 GGADLP O[C@]1(C[NH2+]Cc2cccc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366627 566669908 /nfs/dbraw/zinc/66/99/08/566669908.db2.gz PXBGWCOGFWCWHE-IBGZPJMESA-N 2 2 375.310 3.176 20 0 GGADLP O[C@]1(C[NH2+]Cc2cccc(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366627 566669912 /nfs/dbraw/zinc/66/99/12/566669912.db2.gz PXBGWCOGFWCWHE-IBGZPJMESA-N 2 2 375.310 3.176 20 0 GGADLP O[C@@H]1CCCC[C@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000580198019 566672853 /nfs/dbraw/zinc/67/28/53/566672853.db2.gz OBMMKGMXPJOJHH-GOEBONIOSA-N 2 2 382.302 3.292 20 0 GGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)CC[C@@H]1C(F)(F)F ZINC000629652497 566675483 /nfs/dbraw/zinc/67/54/83/566675483.db2.gz BCVAVVHYRPFDKB-JSGCOSHPSA-N 2 2 393.247 3.343 20 0 GGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)cc3c2OCC3)CC[C@@H]1C(F)(F)F ZINC000629652497 566675486 /nfs/dbraw/zinc/67/54/86/566675486.db2.gz BCVAVVHYRPFDKB-JSGCOSHPSA-N 2 2 393.247 3.343 20 0 GGADLP C[C@@H](CO)[N@@H+]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450473136 566675446 /nfs/dbraw/zinc/67/54/46/566675446.db2.gz GUCQBUKMAGBLNI-LBPRGKRZSA-N 2 2 382.277 3.029 20 0 GGADLP C[C@@H](CO)[N@H+]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450473136 566675448 /nfs/dbraw/zinc/67/54/48/566675448.db2.gz GUCQBUKMAGBLNI-LBPRGKRZSA-N 2 2 382.277 3.029 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000629656390 566676702 /nfs/dbraw/zinc/67/67/02/566676702.db2.gz OCHBXCBFJZQCPV-NWDGAFQWSA-N 2 2 381.236 3.417 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1Br ZINC000629656390 566676709 /nfs/dbraw/zinc/67/67/09/566676709.db2.gz OCHBXCBFJZQCPV-NWDGAFQWSA-N 2 2 381.236 3.417 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000629657204 566677305 /nfs/dbraw/zinc/67/73/05/566677305.db2.gz UUTXPUWRIBWWNI-STQMWFEESA-N 2 2 378.460 3.385 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000629657204 566677308 /nfs/dbraw/zinc/67/73/08/566677308.db2.gz UUTXPUWRIBWWNI-STQMWFEESA-N 2 2 378.460 3.385 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Br ZINC000629656389 566677328 /nfs/dbraw/zinc/67/73/28/566677328.db2.gz OCHBXCBFJZQCPV-NEPJUHHUSA-N 2 2 381.236 3.417 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1Br ZINC000629656389 566677333 /nfs/dbraw/zinc/67/73/33/566677333.db2.gz OCHBXCBFJZQCPV-NEPJUHHUSA-N 2 2 381.236 3.417 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000425915511 566681003 /nfs/dbraw/zinc/68/10/03/566681003.db2.gz AKPFYTHIXMKWKG-OLZOCXBDSA-N 2 2 380.334 3.187 20 0 GGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000450530765 566681372 /nfs/dbraw/zinc/68/13/72/566681372.db2.gz QMQAYELJMRWBLO-OLZOCXBDSA-N 2 2 394.288 3.436 20 0 GGADLP Cn1c[nH+]cc1[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000515070957 566689219 /nfs/dbraw/zinc/68/92/19/566689219.db2.gz ALKVEEQUWJYVLK-IIDMSEBBSA-N 2 2 379.291 3.324 20 0 GGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450637463 566692706 /nfs/dbraw/zinc/69/27/06/566692706.db2.gz AOWWRSWZFDBHMD-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000450637463 566692715 /nfs/dbraw/zinc/69/27/15/566692715.db2.gz AOWWRSWZFDBHMD-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc(Br)ccc1F ZINC000580422420 566692892 /nfs/dbraw/zinc/69/28/92/566692892.db2.gz GUACOTNYYBUVEN-JTQLQIEISA-N 2 2 382.281 3.024 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676479669 566698778 /nfs/dbraw/zinc/69/87/78/566698778.db2.gz WIHXOFUTRWAVSE-OAHLLOKOSA-N 2 2 381.307 3.485 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676479669 566698780 /nfs/dbraw/zinc/69/87/80/566698780.db2.gz WIHXOFUTRWAVSE-OAHLLOKOSA-N 2 2 381.307 3.485 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000676477777 566698881 /nfs/dbraw/zinc/69/88/81/566698881.db2.gz NMNRWUCQBMUGSO-CQSZACIVSA-N 2 2 380.286 3.500 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1OC ZINC000676477777 566698883 /nfs/dbraw/zinc/69/88/83/566698883.db2.gz NMNRWUCQBMUGSO-CQSZACIVSA-N 2 2 380.286 3.500 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676478815 566699099 /nfs/dbraw/zinc/69/90/99/566699099.db2.gz PFXGKMHXSUTNOQ-ZIAGYGMSSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676478815 566699102 /nfs/dbraw/zinc/69/91/02/566699102.db2.gz PFXGKMHXSUTNOQ-ZIAGYGMSSA-N 2 2 377.286 3.310 20 0 GGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000608082861 566700988 /nfs/dbraw/zinc/70/09/88/566700988.db2.gz NJMLIZNXPLFQDW-ZWKOTPCHSA-N 2 2 376.298 3.033 20 0 GGADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3cc(Cl)ccc3Cl)CC2)C1 ZINC000580541960 566702896 /nfs/dbraw/zinc/70/28/96/566702896.db2.gz MAMCXEUCXFYNAH-WMLDXEAASA-N 2 2 386.323 3.150 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000580559676 566703825 /nfs/dbraw/zinc/70/38/25/566703825.db2.gz UQPHKCGZNQBJAV-JCGIZDLHSA-N 2 2 394.357 3.042 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@H]4C[N@H+](C)CC[C@@H]43)c[nH+]c12 ZINC000515465650 566714700 /nfs/dbraw/zinc/71/47/00/566714700.db2.gz HIUZGGJKZKJHCO-YOEHRIQHSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@H]4C[N@@H+](C)CC[C@@H]43)c[nH+]c12 ZINC000515465650 566714705 /nfs/dbraw/zinc/71/47/05/566714705.db2.gz HIUZGGJKZKJHCO-YOEHRIQHSA-N 2 2 377.330 3.321 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000608500344 566720576 /nfs/dbraw/zinc/72/05/76/566720576.db2.gz MQCRZCVNYTVZKX-CQSZACIVSA-N 2 2 381.314 3.486 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000608500344 566720579 /nfs/dbraw/zinc/72/05/79/566720579.db2.gz MQCRZCVNYTVZKX-CQSZACIVSA-N 2 2 381.314 3.486 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c[nH+]c12 ZINC000541535221 566731810 /nfs/dbraw/zinc/73/18/10/566731810.db2.gz TXQQSXILKZJNEL-PBHICJAKSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c[nH+]c12 ZINC000541535221 566731811 /nfs/dbraw/zinc/73/18/11/566731811.db2.gz TXQQSXILKZJNEL-PBHICJAKSA-N 2 2 377.330 3.321 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427115598 566748170 /nfs/dbraw/zinc/74/81/70/566748170.db2.gz VEFQFCLYJXTWID-RHSMWYFYSA-N 2 2 383.330 3.048 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427115598 566748174 /nfs/dbraw/zinc/74/81/74/566748174.db2.gz VEFQFCLYJXTWID-RHSMWYFYSA-N 2 2 383.330 3.048 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427121280 566748355 /nfs/dbraw/zinc/74/83/55/566748355.db2.gz HQQYYOBXYALWQB-KBXCAEBGSA-N 2 2 375.314 3.127 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427121280 566748359 /nfs/dbraw/zinc/74/83/59/566748359.db2.gz HQQYYOBXYALWQB-KBXCAEBGSA-N 2 2 375.314 3.127 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000581123599 566750175 /nfs/dbraw/zinc/75/01/75/566750175.db2.gz GLAOUNSDMFSJNE-CRAIPNDOSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]CCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000581123599 566750185 /nfs/dbraw/zinc/75/01/85/566750185.db2.gz GLAOUNSDMFSJNE-CRAIPNDOSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@H]1C[C@H]([NH2+]CCn2cc(Br)cn2)C[N@H+](Cc2ccccc2)C1 ZINC000581123602 566750990 /nfs/dbraw/zinc/75/09/90/566750990.db2.gz GLAOUNSDMFSJNE-YJBOKZPZSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@H]1C[C@H]([NH2+]CCn2cc(Br)cn2)C[N@@H+](Cc2ccccc2)C1 ZINC000581123602 566750998 /nfs/dbraw/zinc/75/09/98/566750998.db2.gz GLAOUNSDMFSJNE-YJBOKZPZSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561959873 566752245 /nfs/dbraw/zinc/75/22/45/566752245.db2.gz HTOIBQGVFUKSQW-WBVHZDCISA-N 2 2 378.563 3.152 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561959873 566752253 /nfs/dbraw/zinc/75/22/53/566752253.db2.gz HTOIBQGVFUKSQW-WBVHZDCISA-N 2 2 378.563 3.152 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1c(Cl)cccc1Cl ZINC000654781845 566753155 /nfs/dbraw/zinc/75/31/55/566753155.db2.gz WXFHTHDUZJKAOY-UHFFFAOYSA-N 2 2 386.367 3.410 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1c(Cl)cccc1Cl ZINC000654781845 566753160 /nfs/dbraw/zinc/75/31/60/566753160.db2.gz WXFHTHDUZJKAOY-UHFFFAOYSA-N 2 2 386.367 3.410 20 0 GGADLP CC[C@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000469011255 566753484 /nfs/dbraw/zinc/75/34/84/566753484.db2.gz OGHAXBBGESXKDC-DNVCBOLYSA-N 2 2 391.357 3.461 20 0 GGADLP CC[C@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)[N@H+]1CCc2ccccc2C1 ZINC000469011255 566753492 /nfs/dbraw/zinc/75/34/92/566753492.db2.gz OGHAXBBGESXKDC-DNVCBOLYSA-N 2 2 391.357 3.461 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000469058896 566758079 /nfs/dbraw/zinc/75/80/79/566758079.db2.gz OYQZAGKUILYKFY-YJBOKZPZSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000469058896 566758085 /nfs/dbraw/zinc/75/80/85/566758085.db2.gz OYQZAGKUILYKFY-YJBOKZPZSA-N 2 2 377.330 3.288 20 0 GGADLP CCc1ccc([C@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000469118976 566763319 /nfs/dbraw/zinc/76/33/19/566763319.db2.gz UKQMIJCLRSOLRE-KDOFPFPSSA-N 2 2 379.346 3.489 20 0 GGADLP CCc1ccc([C@H](C[NH2+][C@@H](C)Cn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000469118978 566763444 /nfs/dbraw/zinc/76/34/44/566763444.db2.gz UKQMIJCLRSOLRE-KSSFIOAISA-N 2 2 379.346 3.489 20 0 GGADLP C[N@@H+](Cc1c(Br)cncc1Br)CC1CC[NH+](C)CC1 ZINC000581282109 566763765 /nfs/dbraw/zinc/76/37/65/566763765.db2.gz AEFKLXBMMRZHRZ-UHFFFAOYSA-N 2 2 391.151 3.380 20 0 GGADLP C[N@H+](Cc1c(Br)cncc1Br)CC1CC[NH+](C)CC1 ZINC000581282109 566763772 /nfs/dbraw/zinc/76/37/72/566763772.db2.gz AEFKLXBMMRZHRZ-UHFFFAOYSA-N 2 2 391.151 3.380 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427317060 566766161 /nfs/dbraw/zinc/76/61/61/566766161.db2.gz UABQMIGDNPLBMW-QAPCUYQASA-N 2 2 394.357 3.044 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000427317059 566766331 /nfs/dbraw/zinc/76/63/31/566766331.db2.gz UABQMIGDNPLBMW-MAUKXSAKSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccncc3Br)c2)CCO1 ZINC000631051750 566774820 /nfs/dbraw/zinc/77/48/20/566774820.db2.gz BYKBCHCVLPXPQP-HNNXBMFYSA-N 2 2 390.325 3.355 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccncc3Br)c2)CCO1 ZINC000631051750 566774828 /nfs/dbraw/zinc/77/48/28/566774828.db2.gz BYKBCHCVLPXPQP-HNNXBMFYSA-N 2 2 390.325 3.355 20 0 GGADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccc(Cl)cc1Cl ZINC000678123579 566783916 /nfs/dbraw/zinc/78/39/16/566783916.db2.gz YDEYCNKLAYLQRB-UHFFFAOYSA-N 2 2 380.323 3.167 20 0 GGADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1ccc(Cl)cc1Cl ZINC000678123579 566783921 /nfs/dbraw/zinc/78/39/21/566783921.db2.gz YDEYCNKLAYLQRB-UHFFFAOYSA-N 2 2 380.323 3.167 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000631193501 566789600 /nfs/dbraw/zinc/78/96/00/566789600.db2.gz FYYDTFBKUZNWIZ-NVXWUHKLSA-N 2 2 378.563 3.009 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000631193501 566789604 /nfs/dbraw/zinc/78/96/04/566789604.db2.gz FYYDTFBKUZNWIZ-NVXWUHKLSA-N 2 2 378.563 3.009 20 0 GGADLP CSc1cc(Br)ccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678258721 566791202 /nfs/dbraw/zinc/79/12/02/566791202.db2.gz KZCWPJJYCAIJSF-QGZVFWFLSA-N 2 2 398.414 3.383 20 0 GGADLP CSc1cc(Br)ccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258721 566791210 /nfs/dbraw/zinc/79/12/10/566791210.db2.gz KZCWPJJYCAIJSF-QGZVFWFLSA-N 2 2 398.414 3.383 20 0 GGADLP CS[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000451319863 566796421 /nfs/dbraw/zinc/79/64/21/566796421.db2.gz JBMIBVFATCIYLI-MAUKXSAKSA-N 2 2 381.973 3.030 20 0 GGADLP CS[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000451319863 566796427 /nfs/dbraw/zinc/79/64/27/566796427.db2.gz JBMIBVFATCIYLI-MAUKXSAKSA-N 2 2 381.973 3.030 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000581681655 566798323 /nfs/dbraw/zinc/79/83/23/566798323.db2.gz AADKXEWWCZBNDR-AWEZNQCLSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(Br)c1 ZINC000581681655 566798327 /nfs/dbraw/zinc/79/83/27/566798327.db2.gz AADKXEWWCZBNDR-AWEZNQCLSA-N 2 2 381.314 3.153 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469743804 566810968 /nfs/dbraw/zinc/81/09/68/566810968.db2.gz HRZNJNZSVMCACW-MRXNPFEDSA-N 2 2 390.281 3.244 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469743804 566810974 /nfs/dbraw/zinc/81/09/74/566810974.db2.gz HRZNJNZSVMCACW-MRXNPFEDSA-N 2 2 390.281 3.244 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469744850 566811207 /nfs/dbraw/zinc/81/12/07/566811207.db2.gz NBIYJFXLSRVGIP-GUYCJALGSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469744850 566811211 /nfs/dbraw/zinc/81/12/11/566811211.db2.gz NBIYJFXLSRVGIP-GUYCJALGSA-N 2 2 390.281 3.324 20 0 GGADLP CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000469771647 566812252 /nfs/dbraw/zinc/81/22/52/566812252.db2.gz DAUGMQALIBLELB-QZTJIDSGSA-N 2 2 381.611 3.046 20 0 GGADLP CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000469774427 566812318 /nfs/dbraw/zinc/81/23/18/566812318.db2.gz FXYXQKMKFICJDW-MSOLQXFVSA-N 2 2 381.611 3.046 20 0 GGADLP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000469774430 566812611 /nfs/dbraw/zinc/81/26/11/566812611.db2.gz FXYXQKMKFICJDW-ZWKOTPCHSA-N 2 2 381.611 3.046 20 0 GGADLP CN(Cc1c(F)cccc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719457 566813797 /nfs/dbraw/zinc/81/37/97/566813797.db2.gz LTUKMKDLLHHRSG-OAHLLOKOSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1c(F)cccc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719457 566813800 /nfs/dbraw/zinc/81/38/00/566813800.db2.gz LTUKMKDLLHHRSG-OAHLLOKOSA-N 2 2 384.337 3.189 20 0 GGADLP COc1ccc(Br)cc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719983 566814008 /nfs/dbraw/zinc/81/40/08/566814008.db2.gz TYXBDHKRWZQWCI-SFHVURJKSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(Br)cc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719983 566814017 /nfs/dbraw/zinc/81/40/17/566814017.db2.gz TYXBDHKRWZQWCI-SFHVURJKSA-N 2 2 396.373 3.058 20 0 GGADLP CN(Cc1c(F)cccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719456 566814226 /nfs/dbraw/zinc/81/42/26/566814226.db2.gz LTUKMKDLLHHRSG-HNNXBMFYSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1c(F)cccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719456 566814229 /nfs/dbraw/zinc/81/42/29/566814229.db2.gz LTUKMKDLLHHRSG-HNNXBMFYSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000562749715 566818192 /nfs/dbraw/zinc/81/81/92/566818192.db2.gz VHQHHOJFJRJROL-LLVKDONJSA-N 2 2 396.866 3.101 20 0 GGADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)[C@H](C[NH3+])C1 ZINC000562749715 566818195 /nfs/dbraw/zinc/81/81/95/566818195.db2.gz VHQHHOJFJRJROL-LLVKDONJSA-N 2 2 396.866 3.101 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469851268 566820163 /nfs/dbraw/zinc/82/01/63/566820163.db2.gz YJCDCRFNSKDWBH-KOLCDFICSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469851268 566820167 /nfs/dbraw/zinc/82/01/67/566820167.db2.gz YJCDCRFNSKDWBH-KOLCDFICSA-N 2 2 379.245 3.228 20 0 GGADLP CCCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469868610 566822231 /nfs/dbraw/zinc/82/22/31/566822231.db2.gz FPUYNDAMKHIURF-LZWOXQAQSA-N 2 2 383.330 3.416 20 0 GGADLP CCCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000469868610 566822241 /nfs/dbraw/zinc/82/22/41/566822241.db2.gz FPUYNDAMKHIURF-LZWOXQAQSA-N 2 2 383.330 3.416 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678930078 566825976 /nfs/dbraw/zinc/82/59/76/566825976.db2.gz PQZBWUZWPPBJDH-QGZVFWFLSA-N 2 2 383.330 3.191 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)C1 ZINC000562839570 566827122 /nfs/dbraw/zinc/82/71/22/566827122.db2.gz RXUMOEVPRZAEFH-CZUORRHYSA-N 2 2 386.323 3.150 20 0 GGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090447 566830507 /nfs/dbraw/zinc/83/05/07/566830507.db2.gz ZUIWBMDUPPOTNX-FZKQIMNGSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090447 566830514 /nfs/dbraw/zinc/83/05/14/566830514.db2.gz ZUIWBMDUPPOTNX-FZKQIMNGSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090447 566830518 /nfs/dbraw/zinc/83/05/18/566830518.db2.gz ZUIWBMDUPPOTNX-FZKQIMNGSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090447 566830528 /nfs/dbraw/zinc/83/05/28/566830528.db2.gz ZUIWBMDUPPOTNX-FZKQIMNGSA-N 2 2 380.323 3.490 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000469995508 566835251 /nfs/dbraw/zinc/83/52/51/566835251.db2.gz BIUHZLCNPYLFBX-HUUCEWRRSA-N 2 2 385.346 3.424 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000469995508 566835254 /nfs/dbraw/zinc/83/52/54/566835254.db2.gz BIUHZLCNPYLFBX-HUUCEWRRSA-N 2 2 385.346 3.424 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000469995509 566835266 /nfs/dbraw/zinc/83/52/66/566835266.db2.gz BIUHZLCNPYLFBX-LSDHHAIUSA-N 2 2 385.346 3.424 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000469995509 566835268 /nfs/dbraw/zinc/83/52/68/566835268.db2.gz BIUHZLCNPYLFBX-LSDHHAIUSA-N 2 2 385.346 3.424 20 0 GGADLP C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655737018 566840969 /nfs/dbraw/zinc/84/09/69/566840969.db2.gz JHQAPNSVXQRPKK-DYVFJYSZSA-N 2 2 385.321 3.362 20 0 GGADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)sc2C1 ZINC000517705262 566841526 /nfs/dbraw/zinc/84/15/26/566841526.db2.gz NDUMTBJVDNUDCK-MRXNPFEDSA-N 2 2 378.929 3.416 20 0 GGADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H](c3cccc(Cl)c3)[NH+](C)C)sc2C1 ZINC000517705262 566841536 /nfs/dbraw/zinc/84/15/36/566841536.db2.gz NDUMTBJVDNUDCK-MRXNPFEDSA-N 2 2 378.929 3.416 20 0 GGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000490338480 566844058 /nfs/dbraw/zinc/84/40/58/566844058.db2.gz DQCALCMAMIQPOO-QAPCUYQASA-N 2 2 377.330 3.461 20 0 GGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000490338480 566844065 /nfs/dbraw/zinc/84/40/65/566844065.db2.gz DQCALCMAMIQPOO-QAPCUYQASA-N 2 2 377.330 3.461 20 0 GGADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CS2 ZINC000655762830 566844540 /nfs/dbraw/zinc/84/45/40/566844540.db2.gz YRYINEMTLXLGMA-GOEBONIOSA-N 2 2 383.355 3.439 20 0 GGADLP Fc1cc(Br)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000655766539 566844610 /nfs/dbraw/zinc/84/46/10/566844610.db2.gz IHPIQAHHCOLJKK-CYBMUJFWSA-N 2 2 375.257 3.070 20 0 GGADLP Brc1cncc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655765225 566845919 /nfs/dbraw/zinc/84/59/19/566845919.db2.gz BGHOHGYARWDDML-QZTJIDSGSA-N 2 2 380.330 3.138 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1O ZINC000490399205 566846884 /nfs/dbraw/zinc/84/68/84/566846884.db2.gz LLGQGVSYOJFOAB-IUODEOHRSA-N 2 2 380.286 3.443 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1O ZINC000490399205 566846887 /nfs/dbraw/zinc/84/68/87/566846887.db2.gz LLGQGVSYOJFOAB-IUODEOHRSA-N 2 2 380.286 3.443 20 0 GGADLP Brc1ccccc1CC1([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655770720 566847025 /nfs/dbraw/zinc/84/70/25/566847025.db2.gz NUXCBNGPJQGGPB-KRWDZBQOSA-N 2 2 379.342 3.367 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(Br)s2)CC1 ZINC000543080278 566850387 /nfs/dbraw/zinc/85/03/87/566850387.db2.gz SPUAGGRODXDJRH-UHFFFAOYSA-N 2 2 390.391 3.476 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(Br)s2)CC1 ZINC000543080278 566850394 /nfs/dbraw/zinc/85/03/94/566850394.db2.gz SPUAGGRODXDJRH-UHFFFAOYSA-N 2 2 390.391 3.476 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](CO)Cc3cccc(Br)c3)n2c1 ZINC000428534812 566853207 /nfs/dbraw/zinc/85/32/07/566853207.db2.gz GMFVSWGJLOXYED-MRXNPFEDSA-N 2 2 388.309 3.346 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC[N@@H+]1C ZINC000470258682 566859494 /nfs/dbraw/zinc/85/94/94/566859494.db2.gz KDWRWIGTUDWGAK-BXKDBHETSA-N 2 2 391.151 3.366 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC[N@H+]1C ZINC000470258682 566859501 /nfs/dbraw/zinc/85/95/01/566859501.db2.gz KDWRWIGTUDWGAK-BXKDBHETSA-N 2 2 391.151 3.366 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000582421333 566861147 /nfs/dbraw/zinc/86/11/47/566861147.db2.gz XWOGGVJCCLTYQS-OLZOCXBDSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000582421333 566861154 /nfs/dbraw/zinc/86/11/54/566861154.db2.gz XWOGGVJCCLTYQS-OLZOCXBDSA-N 2 2 386.323 3.008 20 0 GGADLP O[C@@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)C[NH+]1CCCC1 ZINC000518263428 566873243 /nfs/dbraw/zinc/87/32/43/566873243.db2.gz PSNWGCWFONHTQQ-INIZCTEOSA-N 2 2 379.298 3.255 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(-c2ccc(Br)cc2)o1)C[NH+]1CCCC1 ZINC000518263429 566873692 /nfs/dbraw/zinc/87/36/92/566873692.db2.gz PSNWGCWFONHTQQ-MRXNPFEDSA-N 2 2 379.298 3.255 20 0 GGADLP Brc1c2ccccc2oc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000656248295 566887905 /nfs/dbraw/zinc/88/79/05/566887905.db2.gz PTHWREIXQYLKKN-UHFFFAOYSA-N 2 2 392.341 3.409 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000656254650 566889744 /nfs/dbraw/zinc/88/97/44/566889744.db2.gz DJFOVOPMJUKDEF-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000656254650 566889753 /nfs/dbraw/zinc/88/97/53/566889753.db2.gz DJFOVOPMJUKDEF-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000656254650 566889760 /nfs/dbraw/zinc/88/97/60/566889760.db2.gz DJFOVOPMJUKDEF-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@@H]21 ZINC000656254650 566889766 /nfs/dbraw/zinc/88/97/66/566889766.db2.gz DJFOVOPMJUKDEF-KXBFYZLASA-N 2 2 389.341 3.469 20 0 GGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3oc4ccccc4c3Br)CC2)C1 ZINC000656253185 566890827 /nfs/dbraw/zinc/89/08/27/566890827.db2.gz ZPRNIVAXKXAQFM-OAHLLOKOSA-N 2 2 392.341 3.407 20 0 GGADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3oc4ccccc4c3Br)CC2)C1 ZINC000656253185 566890834 /nfs/dbraw/zinc/89/08/34/566890834.db2.gz ZPRNIVAXKXAQFM-OAHLLOKOSA-N 2 2 392.341 3.407 20 0 GGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000491056485 566892086 /nfs/dbraw/zinc/89/20/86/566892086.db2.gz BINFSESEEOOHMB-MSOLQXFVSA-N 2 2 381.289 3.190 20 0 GGADLP C[C@]1(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC[NH2+]C1 ZINC000563624607 566902256 /nfs/dbraw/zinc/90/22/56/566902256.db2.gz WHXBCVSQKKZVBX-MJGOQNOKSA-N 2 2 394.357 3.092 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@@H]([NH+]4CCCC4)C3)c[nH+]c12 ZINC000680327898 566902686 /nfs/dbraw/zinc/90/26/86/566902686.db2.gz ZQDPZVDLESKUEQ-MRXNPFEDSA-N 2 2 377.330 3.465 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@H]([NH+]4CCCC4)C3)c[nH+]c12 ZINC000680327897 566902853 /nfs/dbraw/zinc/90/28/53/566902853.db2.gz ZQDPZVDLESKUEQ-INIZCTEOSA-N 2 2 377.330 3.465 20 0 GGADLP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000656496803 566905232 /nfs/dbraw/zinc/90/52/32/566905232.db2.gz WJCMHKJLWIKPEZ-NSHDSACASA-N 2 2 376.258 3.126 20 0 GGADLP CCN(CCC[NH+](C)C)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000470847037 566909571 /nfs/dbraw/zinc/90/95/71/566909571.db2.gz CEWKOEWEFGKTAE-SFHVURJKSA-N 2 2 396.373 3.386 20 0 GGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000582964845 566910363 /nfs/dbraw/zinc/91/03/63/566910363.db2.gz PPTRJQAXJUTFRB-FZMZJTMJSA-N 2 2 378.929 3.380 20 0 GGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000582964845 566910365 /nfs/dbraw/zinc/91/03/65/566910365.db2.gz PPTRJQAXJUTFRB-FZMZJTMJSA-N 2 2 378.929 3.380 20 0 GGADLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000470980802 566920687 /nfs/dbraw/zinc/92/06/87/566920687.db2.gz BQYDXTJQDUUXQL-HNNXBMFYSA-N 2 2 395.341 3.384 20 0 GGADLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000470980802 566920692 /nfs/dbraw/zinc/92/06/92/566920692.db2.gz BQYDXTJQDUUXQL-HNNXBMFYSA-N 2 2 395.341 3.384 20 0 GGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000470980802 566920696 /nfs/dbraw/zinc/92/06/96/566920696.db2.gz BQYDXTJQDUUXQL-HNNXBMFYSA-N 2 2 395.341 3.384 20 0 GGADLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000470980802 566920704 /nfs/dbraw/zinc/92/07/04/566920704.db2.gz BQYDXTJQDUUXQL-HNNXBMFYSA-N 2 2 395.341 3.384 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000583258591 566935143 /nfs/dbraw/zinc/93/51/43/566935143.db2.gz OUCADEQZSUDAHJ-QFBILLFUSA-N 2 2 378.563 3.195 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@@H]1c1cccs1 ZINC000583258591 566935148 /nfs/dbraw/zinc/93/51/48/566935148.db2.gz OUCADEQZSUDAHJ-QFBILLFUSA-N 2 2 378.563 3.195 20 0 GGADLP C[C@@H]1COCC[N@@H+]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000519614640 566951212 /nfs/dbraw/zinc/95/12/12/566951212.db2.gz QRGMULFXIPFHCF-OAHLLOKOSA-N 2 2 383.330 3.013 20 0 GGADLP C[C@@H]1COCC[N@H+]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000519614640 566951217 /nfs/dbraw/zinc/95/12/17/566951217.db2.gz QRGMULFXIPFHCF-OAHLLOKOSA-N 2 2 383.330 3.013 20 0 GGADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000519612639 566951702 /nfs/dbraw/zinc/95/17/02/566951702.db2.gz ZQILVYDYKINNAV-DOTOQJQBSA-N 2 2 389.284 3.446 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@H]([NH+]4CCCCC4)C3)c[nH+]c12 ZINC000544348966 566956203 /nfs/dbraw/zinc/95/62/03/566956203.db2.gz NVPKBYKCJXLOGE-MRXNPFEDSA-N 2 2 377.330 3.465 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@H](C[NH+]4CCCC4)C3)c[nH+]c12 ZINC000544352191 566956584 /nfs/dbraw/zinc/95/65/84/566956584.db2.gz XXKOWLJZFKPMLX-OAHLLOKOSA-N 2 2 377.330 3.323 20 0 GGADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000519682387 566958394 /nfs/dbraw/zinc/95/83/94/566958394.db2.gz SVKRWDSKTNWNHB-GOSISDBHSA-N 2 2 387.351 3.412 20 0 GGADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000519682387 566958403 /nfs/dbraw/zinc/95/84/03/566958403.db2.gz SVKRWDSKTNWNHB-GOSISDBHSA-N 2 2 387.351 3.412 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Br)cs1 ZINC000493895414 566958591 /nfs/dbraw/zinc/95/85/91/566958591.db2.gz WXVBKQXHSJLRDF-GXTWGEPZSA-N 2 2 388.375 3.104 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Br)cs1 ZINC000493895414 566958595 /nfs/dbraw/zinc/95/85/95/566958595.db2.gz WXVBKQXHSJLRDF-GXTWGEPZSA-N 2 2 388.375 3.104 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494045645 566969606 /nfs/dbraw/zinc/96/96/06/566969606.db2.gz BPFWFYBBMAASRH-AWEZNQCLSA-N 2 2 375.738 3.285 20 0 GGADLP C[C@@H]1C[C@H]1[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)C1 ZINC000430114868 566983503 /nfs/dbraw/zinc/98/35/03/566983503.db2.gz FDMDVLHXAJFCFI-CKEIUWERSA-N 2 2 377.330 3.259 20 0 GGADLP C[C@@H]1C[C@H]1[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)C1 ZINC000430114868 566983506 /nfs/dbraw/zinc/98/35/06/566983506.db2.gz FDMDVLHXAJFCFI-CKEIUWERSA-N 2 2 377.330 3.259 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430135430 566989581 /nfs/dbraw/zinc/98/95/81/566989581.db2.gz GDFGRQDSPWCRCN-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430135430 566989587 /nfs/dbraw/zinc/98/95/87/566989587.db2.gz GDFGRQDSPWCRCN-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430135430 566989595 /nfs/dbraw/zinc/98/95/95/566989595.db2.gz GDFGRQDSPWCRCN-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430135430 566989601 /nfs/dbraw/zinc/98/96/01/566989601.db2.gz GDFGRQDSPWCRCN-LJQANCHMSA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494391407 566996651 /nfs/dbraw/zinc/99/66/51/566996651.db2.gz KDJJVEAPVAFSID-MRXNPFEDSA-N 2 2 386.297 3.244 20 0 GGADLP CCOc1cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc(Br)c1OC ZINC000494416354 567000255 /nfs/dbraw/zinc/00/02/55/567000255.db2.gz TZOFBOVDKFYDDJ-ZDUSSCGKSA-N 2 2 380.286 3.158 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472262078 567012875 /nfs/dbraw/zinc/01/28/75/567012875.db2.gz LNPADZDXSLHJEJ-HNNXBMFYSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472262078 567012878 /nfs/dbraw/zinc/01/28/78/567012878.db2.gz LNPADZDXSLHJEJ-HNNXBMFYSA-N 2 2 388.339 3.365 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](CCOc3cccc(Br)c3)CC2)c1 ZINC000520606915 567013625 /nfs/dbraw/zinc/01/36/25/567013625.db2.gz VDYBWJXTNAECQY-UHFFFAOYSA-N 2 2 392.297 3.054 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472264866 567014526 /nfs/dbraw/zinc/01/45/26/567014526.db2.gz LYRCGHPYCVZJCR-CQSZACIVSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472264866 567014531 /nfs/dbraw/zinc/01/45/31/567014531.db2.gz LYRCGHPYCVZJCR-CQSZACIVSA-N 2 2 388.339 3.365 20 0 GGADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@@H](C)O1 ZINC000564861736 567014766 /nfs/dbraw/zinc/01/47/66/567014766.db2.gz BLHUBFUVSQZRAD-PVTMVUMOSA-N 2 2 387.351 3.299 20 0 GGADLP [NH3+]CCCOC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000430584575 567023531 /nfs/dbraw/zinc/02/35/31/567023531.db2.gz UXGFIOBBGMKUFI-UHFFFAOYSA-N 2 2 393.272 3.380 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000545159467 567023785 /nfs/dbraw/zinc/02/37/85/567023785.db2.gz LMDWUELUQZHWOW-OALUTQOASA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2cccc(F)c2)c2cccc(Br)c2)C1 ZINC000545159467 567023792 /nfs/dbraw/zinc/02/37/92/567023792.db2.gz LMDWUELUQZHWOW-OALUTQOASA-N 2 2 393.300 3.334 20 0 GGADLP C[NH+](C)CC1(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCCCC1 ZINC000494827432 567027406 /nfs/dbraw/zinc/02/74/06/567027406.db2.gz UIOOWJLOWYMJNJ-UHFFFAOYSA-N 2 2 393.329 3.225 20 0 GGADLP CC[N@H+](CCNCc1nc2c(s1)C[NH+](C(C)C)CC2)CCC(F)(F)F ZINC000494849819 567029040 /nfs/dbraw/zinc/02/90/40/567029040.db2.gz IOGDTIXJUHTRBL-UHFFFAOYSA-N 2 2 378.508 3.274 20 0 GGADLP CC[N@@H+](CCNCc1nc2c(s1)C[NH+](C(C)C)CC2)CCC(F)(F)F ZINC000494849819 567029049 /nfs/dbraw/zinc/02/90/49/567029049.db2.gz IOGDTIXJUHTRBL-UHFFFAOYSA-N 2 2 378.508 3.274 20 0 GGADLP CC[NH+](CCNCc1nc2c(s1)C[N@@H+](C(C)C)CC2)CCC(F)(F)F ZINC000494849819 567029053 /nfs/dbraw/zinc/02/90/53/567029053.db2.gz IOGDTIXJUHTRBL-UHFFFAOYSA-N 2 2 378.508 3.274 20 0 GGADLP CC[NH+](CCNCc1nc2c(s1)C[N@H+](C(C)C)CC2)CCC(F)(F)F ZINC000494849819 567029062 /nfs/dbraw/zinc/02/90/62/567029062.db2.gz IOGDTIXJUHTRBL-UHFFFAOYSA-N 2 2 378.508 3.274 20 0 GGADLP CCN(CC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)CCC(F)(F)F ZINC000494849819 567029069 /nfs/dbraw/zinc/02/90/69/567029069.db2.gz IOGDTIXJUHTRBL-UHFFFAOYSA-N 2 2 378.508 3.274 20 0 GGADLP CCN(CC[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)CCC(F)(F)F ZINC000494849819 567029073 /nfs/dbraw/zinc/02/90/73/567029073.db2.gz IOGDTIXJUHTRBL-UHFFFAOYSA-N 2 2 378.508 3.274 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430904082 567038335 /nfs/dbraw/zinc/03/83/35/567038335.db2.gz OCJHYVZTFGZXGT-CGTJXYLNSA-N 2 2 394.357 3.172 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000430904102 567039203 /nfs/dbraw/zinc/03/92/03/567039203.db2.gz OKEMLRHGCUOXOF-KRWDZBQOSA-N 2 2 382.346 3.044 20 0 GGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)[C@@]12CCCO2 ZINC000545350227 567041516 /nfs/dbraw/zinc/04/15/16/567041516.db2.gz RJDCVUJJRLVMOO-NUJGCVRESA-N 2 2 394.313 3.221 20 0 GGADLP CCO[C@@H]1C[C@H]([NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)[C@]12CCCO2 ZINC000545350226 567042057 /nfs/dbraw/zinc/04/20/57/567042057.db2.gz RJDCVUJJRLVMOO-LZLYRXPVSA-N 2 2 394.313 3.221 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000565155958 567044223 /nfs/dbraw/zinc/04/42/23/567044223.db2.gz GTIGKUUTNQJRFU-WBMJQRKESA-N 2 2 379.291 3.322 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000565155958 567044230 /nfs/dbraw/zinc/04/42/30/567044230.db2.gz GTIGKUUTNQJRFU-WBMJQRKESA-N 2 2 379.291 3.322 20 0 GGADLP CC[N@@H+]1CCc2nc(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)sc2C1 ZINC000565156475 567045082 /nfs/dbraw/zinc/04/50/82/567045082.db2.gz IGMJUMZDGNKTJB-MRXNPFEDSA-N 2 2 378.929 3.416 20 0 GGADLP CC[N@H+]1CCc2nc(NC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)sc2C1 ZINC000565156475 567045086 /nfs/dbraw/zinc/04/50/86/567045086.db2.gz IGMJUMZDGNKTJB-MRXNPFEDSA-N 2 2 378.929 3.416 20 0 GGADLP Brc1ccc(N2CC[C@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)cc1 ZINC000657325401 567046337 /nfs/dbraw/zinc/04/63/37/567046337.db2.gz DVZITLVUTOWMEP-CQSZACIVSA-N 2 2 375.314 3.208 20 0 GGADLP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](Cc2ccncc2)CC1 ZINC000657318375 567047008 /nfs/dbraw/zinc/04/70/08/567047008.db2.gz KSGXSHQYZPBNQE-UHFFFAOYSA-N 2 2 375.314 3.302 20 0 GGADLP Cc1c(Br)cncc1C[NH2+]C1CC[NH+](Cc2ccccn2)CC1 ZINC000657314142 567047537 /nfs/dbraw/zinc/04/75/37/567047537.db2.gz RUNQDYHKWUSJAF-UHFFFAOYSA-N 2 2 375.314 3.302 20 0 GGADLP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000431033271 567048684 /nfs/dbraw/zinc/04/86/84/567048684.db2.gz HOVKUNLXGZTACO-UHFFFAOYSA-N 2 2 375.822 3.373 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000495185431 567051236 /nfs/dbraw/zinc/05/12/36/567051236.db2.gz VLEOJAXKMYTTLV-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000495185431 567051245 /nfs/dbraw/zinc/05/12/45/567051245.db2.gz VLEOJAXKMYTTLV-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000495185431 567051248 /nfs/dbraw/zinc/05/12/48/567051248.db2.gz VLEOJAXKMYTTLV-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000495185431 567051256 /nfs/dbraw/zinc/05/12/56/567051256.db2.gz VLEOJAXKMYTTLV-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000545519491 567057913 /nfs/dbraw/zinc/05/79/13/567057913.db2.gz MOLKIFRPZMTMEM-CQSZACIVSA-N 2 2 395.345 3.184 20 0 GGADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431166367 567061727 /nfs/dbraw/zinc/06/17/27/567061727.db2.gz ITXCEMRXUBYVHV-GOEBONIOSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431166367 567061732 /nfs/dbraw/zinc/06/17/32/567061732.db2.gz ITXCEMRXUBYVHV-GOEBONIOSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431164967 567062101 /nfs/dbraw/zinc/06/21/01/567062101.db2.gz BJIPCHHNZRGARW-UKRRQHHQSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431164967 567062106 /nfs/dbraw/zinc/06/21/06/567062106.db2.gz BJIPCHHNZRGARW-UKRRQHHQSA-N 2 2 383.275 3.281 20 0 GGADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C1 ZINC000565367371 567062443 /nfs/dbraw/zinc/06/24/43/567062443.db2.gz LNEOBZLBGHYJAE-YOEHRIQHSA-N 2 2 383.323 3.359 20 0 GGADLP C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495790545 567066344 /nfs/dbraw/zinc/06/63/44/567066344.db2.gz WNKIFLGXKLXUEB-OAHLLOKOSA-N 2 2 383.989 3.305 20 0 GGADLP C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495790545 567066348 /nfs/dbraw/zinc/06/63/48/567066348.db2.gz WNKIFLGXKLXUEB-OAHLLOKOSA-N 2 2 383.989 3.305 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453252833 567066992 /nfs/dbraw/zinc/06/69/92/567066992.db2.gz CJJIDPOVDBNTHY-YOEHRIQHSA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000453252833 567067001 /nfs/dbraw/zinc/06/70/01/567067001.db2.gz CJJIDPOVDBNTHY-YOEHRIQHSA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453258549 567069132 /nfs/dbraw/zinc/06/91/32/567069132.db2.gz HSVUHCOZSUACHX-WBVHZDCISA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453258549 567069138 /nfs/dbraw/zinc/06/91/38/567069138.db2.gz HSVUHCOZSUACHX-WBVHZDCISA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453258548 567069807 /nfs/dbraw/zinc/06/98/07/567069807.db2.gz HSVUHCOZSUACHX-RDJZCZTQSA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000453258548 567069810 /nfs/dbraw/zinc/06/98/10/567069810.db2.gz HSVUHCOZSUACHX-RDJZCZTQSA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453292114 567072537 /nfs/dbraw/zinc/07/25/37/567072537.db2.gz OLQJMYDRLWNNEJ-IEBWSBKVSA-N 2 2 381.358 3.207 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453292114 567072544 /nfs/dbraw/zinc/07/25/44/567072544.db2.gz OLQJMYDRLWNNEJ-IEBWSBKVSA-N 2 2 381.358 3.207 20 0 GGADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1ccc(Cl)cc1Cl ZINC000565652255 567085842 /nfs/dbraw/zinc/08/58/42/567085842.db2.gz CSFFJBQZFPFFEY-OAHLLOKOSA-N 2 2 384.307 3.098 20 0 GGADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1ccc(Cl)cc1Cl ZINC000565652254 567086618 /nfs/dbraw/zinc/08/66/18/567086618.db2.gz CSFFJBQZFPFFEY-HNNXBMFYSA-N 2 2 384.307 3.098 20 0 GGADLP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751109 567092716 /nfs/dbraw/zinc/09/27/16/567092716.db2.gz FXTQOWBJOOMVFL-SUMWQHHRSA-N 2 2 385.321 3.362 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565716640 567093171 /nfs/dbraw/zinc/09/31/71/567093171.db2.gz WOJFUXNQTLFTEP-HZPDHXFCSA-N 2 2 389.341 3.293 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565716640 567093179 /nfs/dbraw/zinc/09/31/79/567093179.db2.gz WOJFUXNQTLFTEP-HZPDHXFCSA-N 2 2 389.341 3.293 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565716641 567093260 /nfs/dbraw/zinc/09/32/60/567093260.db2.gz WOJFUXNQTLFTEP-JKSUJKDBSA-N 2 2 389.341 3.293 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000565716641 567093266 /nfs/dbraw/zinc/09/32/66/567093266.db2.gz WOJFUXNQTLFTEP-JKSUJKDBSA-N 2 2 389.341 3.293 20 0 GGADLP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000657753116 567093246 /nfs/dbraw/zinc/09/32/46/567093246.db2.gz UGEOXTYCXSKBQS-IRXDYDNUSA-N 2 2 379.342 3.149 20 0 GGADLP Cc1cc(Br)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)s1 ZINC000453586109 567094761 /nfs/dbraw/zinc/09/47/61/567094761.db2.gz IVQJBQKXRKRHGR-UHFFFAOYSA-N 2 2 395.370 3.256 20 0 GGADLP Cc1cc(Br)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000453602267 567096913 /nfs/dbraw/zinc/09/69/13/567096913.db2.gz SQTPOQKQXQRPFH-CYBMUJFWSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(Br)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000453602267 567096919 /nfs/dbraw/zinc/09/69/19/567096919.db2.gz SQTPOQKQXQRPFH-CYBMUJFWSA-N 2 2 386.403 3.419 20 0 GGADLP Clc1cnc(CNc2ccc3[nH]c(CC[NH+]4CCOCC4)[nH+]c3c2)s1 ZINC000546035265 567096942 /nfs/dbraw/zinc/09/69/42/567096942.db2.gz GNUKVUVMYCJYKG-UHFFFAOYSA-N 2 2 377.901 3.160 20 0 GGADLP Cc1cc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)nc(C2CC2)[nH+]1 ZINC000546050997 567098963 /nfs/dbraw/zinc/09/89/63/567098963.db2.gz CKMYHLHIAWJBLN-UHFFFAOYSA-N 2 2 386.297 3.458 20 0 GGADLP CC[C@@H](C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1)[NH+](CC)CC ZINC000546112273 567105414 /nfs/dbraw/zinc/10/54/14/567105414.db2.gz NCDKWPXWGQZEPV-HNNXBMFYSA-N 2 2 381.318 3.142 20 0 GGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(Cl)c(C[N@H+](C)CCO)c1 ZINC000614383271 567107309 /nfs/dbraw/zinc/10/73/09/567107309.db2.gz JKGKUFBLKHVEGF-UHFFFAOYSA-N 2 2 381.929 3.140 20 0 GGADLP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(Cl)c(C[N@@H+](C)CCO)c1 ZINC000614383271 567107312 /nfs/dbraw/zinc/10/73/12/567107312.db2.gz JKGKUFBLKHVEGF-UHFFFAOYSA-N 2 2 381.929 3.140 20 0 GGADLP CC[C@H](C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br)[NH+](C)C ZINC000614440099 567112705 /nfs/dbraw/zinc/11/27/05/567112705.db2.gz FTNMEAHDLZUNLZ-QGZVFWFLSA-N 2 2 393.329 3.015 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CCCC[N@H+]3C(C)C)[nH+]c12 ZINC000546192347 567113933 /nfs/dbraw/zinc/11/39/33/567113933.db2.gz ZGZLVVAOFIPTEH-INIZCTEOSA-N 2 2 393.329 3.284 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@@H]3CCCC[N@@H+]3C(C)C)[nH+]c12 ZINC000546192347 567113937 /nfs/dbraw/zinc/11/39/37/567113937.db2.gz ZGZLVVAOFIPTEH-INIZCTEOSA-N 2 2 393.329 3.284 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H]3CCCC[N@H+]3C(C)C)[nH+]c12 ZINC000546192348 567114166 /nfs/dbraw/zinc/11/41/66/567114166.db2.gz ZGZLVVAOFIPTEH-MRXNPFEDSA-N 2 2 393.329 3.284 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H]3CCCC[N@@H+]3C(C)C)[nH+]c12 ZINC000546192348 567114167 /nfs/dbraw/zinc/11/41/67/567114167.db2.gz ZGZLVVAOFIPTEH-MRXNPFEDSA-N 2 2 393.329 3.284 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Br)c1 ZINC000658295323 567133251 /nfs/dbraw/zinc/13/32/51/567133251.db2.gz RQHPYBFFLOVFHJ-ZFWWWQNUSA-N 2 2 383.330 3.362 20 0 GGADLP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294280 567133799 /nfs/dbraw/zinc/13/37/99/567133799.db2.gz MLYSSBGDCRGWFG-DYVFJYSZSA-N 2 2 383.305 3.418 20 0 GGADLP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cscn1 ZINC000566179898 567135538 /nfs/dbraw/zinc/13/55/38/567135538.db2.gz WMRKXEFVICIZEK-INIZCTEOSA-N 2 2 399.347 3.231 20 0 GGADLP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000566212279 567139228 /nfs/dbraw/zinc/13/92/28/567139228.db2.gz PHZDFPCREWHSBY-QGTPRVQTSA-N 2 2 394.357 3.220 20 0 GGADLP [NH3+]CCC1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000566407332 567155209 /nfs/dbraw/zinc/15/52/09/567155209.db2.gz RMJLWWRKIBTLQU-GOSISDBHSA-N 2 2 394.357 3.173 20 0 GGADLP CC(C)[N@H+](C)CCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474462936 567175047 /nfs/dbraw/zinc/17/50/47/567175047.db2.gz ADZJCJYMZSNOIT-UHFFFAOYSA-N 2 2 382.236 3.389 20 0 GGADLP CC(C)[N@@H+](C)CCC[NH2+]Cc1c(F)ccc(I)c1F ZINC000474462936 567175052 /nfs/dbraw/zinc/17/50/52/567175052.db2.gz ADZJCJYMZSNOIT-UHFFFAOYSA-N 2 2 382.236 3.389 20 0 GGADLP Cc1cc[nH+]cc1CCC[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000566529612 567165002 /nfs/dbraw/zinc/16/50/02/567165002.db2.gz SWZARVCXEZBKCF-UHFFFAOYSA-N 2 2 376.298 3.105 20 0 GGADLP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000474479173 567175122 /nfs/dbraw/zinc/17/51/22/567175122.db2.gz QTLRGQZKXKNRTE-ZIAGYGMSSA-N 2 2 383.277 3.487 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000474482523 567175201 /nfs/dbraw/zinc/17/52/01/567175201.db2.gz LRXJDNZAPTZMAE-UHFFFAOYSA-N 2 2 392.231 3.286 20 0 GGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474602643 567182284 /nfs/dbraw/zinc/18/22/84/567182284.db2.gz NLBDTIYRPQIVTB-LLVKDONJSA-N 2 2 394.247 3.391 20 0 GGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474602643 567182290 /nfs/dbraw/zinc/18/22/90/567182290.db2.gz NLBDTIYRPQIVTB-LLVKDONJSA-N 2 2 394.247 3.391 20 0 GGADLP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000566736676 567184912 /nfs/dbraw/zinc/18/49/12/567184912.db2.gz LKFQOEOLCQPICX-MAUKXSAKSA-N 2 2 394.357 3.173 20 0 GGADLP Cc1ccc(CCC[NH2+]CCNC(=O)c2ccc(Br)cc2)c[nH+]1 ZINC000474632854 567185779 /nfs/dbraw/zinc/18/57/79/567185779.db2.gz RXUWESWPKWUNSV-UHFFFAOYSA-N 2 2 376.298 3.105 20 0 GGADLP COC(=O)c1cccc(Br)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000432773443 567189257 /nfs/dbraw/zinc/18/92/57/567189257.db2.gz GGLJCDABKWRRAP-GFCCVEGCSA-N 2 2 378.270 3.338 20 0 GGADLP COC(=O)c1cccc(Br)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000432773443 567189260 /nfs/dbraw/zinc/18/92/60/567189260.db2.gz GGLJCDABKWRRAP-GFCCVEGCSA-N 2 2 378.270 3.338 20 0 GGADLP CS(=O)(=O)Nc1cccc(C[NH2+]C[C@H](c2cccs2)[NH+]2CCCC2)c1 ZINC000589634228 567191124 /nfs/dbraw/zinc/19/11/24/567191124.db2.gz TYMILMRMGHNDNE-QGZVFWFLSA-N 2 2 379.551 3.046 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSCc1cccc(Cl)c1 ZINC000498779458 567200906 /nfs/dbraw/zinc/20/09/06/567200906.db2.gz MCQGIQJFVMITSK-UHFFFAOYSA-N 2 2 383.989 3.058 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSCc1cccc(Cl)c1 ZINC000498779458 567200912 /nfs/dbraw/zinc/20/09/12/567200912.db2.gz MCQGIQJFVMITSK-UHFFFAOYSA-N 2 2 383.989 3.058 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)CC[N@@H+]1C ZINC000474817414 567202869 /nfs/dbraw/zinc/20/28/69/567202869.db2.gz OGYVTHAGXRMEFP-UWVGGRQHSA-N 2 2 380.220 3.142 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)CC[N@H+]1C ZINC000474817414 567202876 /nfs/dbraw/zinc/20/28/76/567202876.db2.gz OGYVTHAGXRMEFP-UWVGGRQHSA-N 2 2 380.220 3.142 20 0 GGADLP C[NH2+][C@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1Cl ZINC000659315182 567204073 /nfs/dbraw/zinc/20/40/73/567204073.db2.gz YCPKHYFHEGEOGP-SJCJKPOMSA-N 2 2 379.291 3.044 20 0 GGADLP C[NH+](C)CC1CC[NH+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000590125069 567209377 /nfs/dbraw/zinc/20/93/77/567209377.db2.gz AEDWYWQPRCYPNA-UHFFFAOYSA-N 2 2 379.353 3.041 20 0 GGADLP Cc1c[nH+]ccc1CC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000547504078 567214721 /nfs/dbraw/zinc/21/47/21/567214721.db2.gz UULKDTYWZKQYCV-INIZCTEOSA-N 2 2 395.322 3.203 20 0 GGADLP Cc1n[nH]c(C)c1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000567148306 567222059 /nfs/dbraw/zinc/22/20/59/567222059.db2.gz LVYZYRCYSYIPEC-UHFFFAOYSA-N 2 2 378.274 3.281 20 0 GGADLP Cc1n[nH]c(C)c1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000567148306 567222061 /nfs/dbraw/zinc/22/20/61/567222061.db2.gz LVYZYRCYSYIPEC-UHFFFAOYSA-N 2 2 378.274 3.281 20 0 GGADLP Cc1ccc(CCC[NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c[nH+]1 ZINC000475204079 567231756 /nfs/dbraw/zinc/23/17/56/567231756.db2.gz RGNXEAIGFARXSA-GOSISDBHSA-N 2 2 388.309 3.480 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638455341 567249579 /nfs/dbraw/zinc/24/95/79/567249579.db2.gz VCILNAHDALVGLW-UHFFFAOYSA-N 2 2 380.323 3.012 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(Br)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000525461455 567249764 /nfs/dbraw/zinc/24/97/64/567249764.db2.gz VJGAJAXUPJWYIW-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(Br)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461455 567249767 /nfs/dbraw/zinc/24/97/67/567249767.db2.gz VJGAJAXUPJWYIW-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@]1(C[NH2+]Cc2cc(Br)cs2)CC[N@H+](Cc2ccccc2)C1 ZINC000525461655 567250628 /nfs/dbraw/zinc/25/06/28/567250628.db2.gz CTCCZLFGQCUAFU-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@]1(C[NH2+]Cc2cc(Br)cs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461655 567250635 /nfs/dbraw/zinc/25/06/35/567250635.db2.gz CTCCZLFGQCUAFU-KRWDZBQOSA-N 2 2 381.339 3.237 20 0 GGADLP COCCC[NH+]1CCC([NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638484568 567252441 /nfs/dbraw/zinc/25/24/41/567252441.db2.gz YWHHKORMSYEHBX-UHFFFAOYSA-N 2 2 382.302 3.181 20 0 GGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000567516950 567252782 /nfs/dbraw/zinc/25/27/82/567252782.db2.gz NKFUDRODZPDGTF-QGZVFWFLSA-N 2 2 382.277 3.328 20 0 GGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@@H](c2ccc(F)c(Br)c2)C1 ZINC000567516950 567252790 /nfs/dbraw/zinc/25/27/90/567252790.db2.gz NKFUDRODZPDGTF-QGZVFWFLSA-N 2 2 382.277 3.328 20 0 GGADLP Cc1[nH+]ccn1CC[N@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000567542743 567254461 /nfs/dbraw/zinc/25/44/61/567254461.db2.gz SYSLEZLGSMFPTE-INIZCTEOSA-N 2 2 375.822 3.313 20 0 GGADLP Cc1[nH+]ccn1CC[N@@H+](CCc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F ZINC000567542743 567254465 /nfs/dbraw/zinc/25/44/65/567254465.db2.gz SYSLEZLGSMFPTE-INIZCTEOSA-N 2 2 375.822 3.313 20 0 GGADLP Cc1[nH+]ccn1CC[N@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000567542744 567254796 /nfs/dbraw/zinc/25/47/96/567254796.db2.gz SYSLEZLGSMFPTE-MRXNPFEDSA-N 2 2 375.822 3.313 20 0 GGADLP Cc1[nH+]ccn1CC[N@@H+](CCc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F ZINC000567542744 567254804 /nfs/dbraw/zinc/25/48/04/567254804.db2.gz SYSLEZLGSMFPTE-MRXNPFEDSA-N 2 2 375.822 3.313 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000591082550 567264960 /nfs/dbraw/zinc/26/49/60/567264960.db2.gz OQJFROITDIYEHR-OAHLLOKOSA-N 2 2 377.286 3.230 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000591082550 567264965 /nfs/dbraw/zinc/26/49/65/567264965.db2.gz OQJFROITDIYEHR-OAHLLOKOSA-N 2 2 377.286 3.230 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000567679745 567267516 /nfs/dbraw/zinc/26/75/16/567267516.db2.gz DYFFADJJGQSEAX-ZLENFMNRSA-N 2 2 385.371 3.277 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567679745 567267520 /nfs/dbraw/zinc/26/75/20/567267520.db2.gz DYFFADJJGQSEAX-ZLENFMNRSA-N 2 2 385.371 3.277 20 0 GGADLP COC(=O)C[N@H+](CCCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000475678384 567268212 /nfs/dbraw/zinc/26/82/12/567268212.db2.gz WKHBJAFQFQCDRH-UHFFFAOYSA-N 2 2 380.286 3.019 20 0 GGADLP COC(=O)C[N@@H+](CCCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000475678384 567268215 /nfs/dbraw/zinc/26/82/15/567268215.db2.gz WKHBJAFQFQCDRH-UHFFFAOYSA-N 2 2 380.286 3.019 20 0 GGADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638752250 567268220 /nfs/dbraw/zinc/26/82/20/567268220.db2.gz WLYPVGNBXIXJLX-HZPDHXFCSA-N 2 2 394.313 3.058 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CCCc2c[nH+]ccc2C)s1 ZINC000685421809 567273335 /nfs/dbraw/zinc/27/33/35/567273335.db2.gz YLMMFGDVEYTSQK-UHFFFAOYSA-N 2 2 381.567 3.204 20 0 GGADLP Cc1ccc(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000685457874 567276179 /nfs/dbraw/zinc/27/61/79/567276179.db2.gz RCMGGDJGLJFJAP-GOSISDBHSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000685457874 567276181 /nfs/dbraw/zinc/27/61/81/567276181.db2.gz RCMGGDJGLJFJAP-GOSISDBHSA-N 2 2 380.374 3.358 20 0 GGADLP C[C@H](NC(=O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000499909743 567282609 /nfs/dbraw/zinc/28/26/09/567282609.db2.gz SARDQOMSSBZUPQ-HNNXBMFYSA-N 2 2 382.346 3.044 20 0 GGADLP C[C@H](NC(=O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000499909743 567282615 /nfs/dbraw/zinc/28/26/15/567282615.db2.gz SARDQOMSSBZUPQ-HNNXBMFYSA-N 2 2 382.346 3.044 20 0 GGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1OC(F)F ZINC000567870499 567286171 /nfs/dbraw/zinc/28/61/71/567286171.db2.gz FDPMHHFAIHUOCF-AAEUAGOBSA-N 2 2 375.257 3.400 20 0 GGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1OC(F)F ZINC000567870499 567286178 /nfs/dbraw/zinc/28/61/78/567286178.db2.gz FDPMHHFAIHUOCF-AAEUAGOBSA-N 2 2 375.257 3.400 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894771 567288672 /nfs/dbraw/zinc/28/86/72/567288672.db2.gz SPDKQZXOOORRQN-STQMWFEESA-N 2 2 386.323 3.008 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894771 567288679 /nfs/dbraw/zinc/28/86/79/567288679.db2.gz SPDKQZXOOORRQN-STQMWFEESA-N 2 2 386.323 3.008 20 0 GGADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CSc3ccc(Br)cc32)CC1 ZINC000639111685 567288884 /nfs/dbraw/zinc/28/88/84/567288884.db2.gz JGSJLBFBBCBRIO-OAHLLOKOSA-N 2 2 385.371 3.421 20 0 GGADLP C[N@@H+](Cc1cncc(Br)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025007 567289558 /nfs/dbraw/zinc/28/95/58/567289558.db2.gz KGHSDNXRNAPTIY-WMZOPIPTSA-N 2 2 375.314 3.364 20 0 GGADLP C[N@H+](Cc1cncc(Br)c1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434025007 567289559 /nfs/dbraw/zinc/28/95/59/567289559.db2.gz KGHSDNXRNAPTIY-WMZOPIPTSA-N 2 2 375.314 3.364 20 0 GGADLP C[NH+](Cc1cncc(Br)c1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434025007 567289563 /nfs/dbraw/zinc/28/95/63/567289563.db2.gz KGHSDNXRNAPTIY-WMZOPIPTSA-N 2 2 375.314 3.364 20 0 GGADLP C[NH+](Cc1cncc(Br)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434025007 567289565 /nfs/dbraw/zinc/28/95/65/567289565.db2.gz KGHSDNXRNAPTIY-WMZOPIPTSA-N 2 2 375.314 3.364 20 0 GGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2nc3cc(Br)ccc3o2)CCCO1 ZINC000639117294 567291089 /nfs/dbraw/zinc/29/10/89/567291089.db2.gz GWLOCBUVQCUMNJ-ZDUSSCGKSA-N 2 2 382.302 3.181 20 0 GGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2nc3cc(Br)ccc3o2)CCCO1 ZINC000639117294 567291096 /nfs/dbraw/zinc/29/10/96/567291096.db2.gz GWLOCBUVQCUMNJ-ZDUSSCGKSA-N 2 2 382.302 3.181 20 0 GGADLP C[NH+](CCC[N@@H+](C)Cc1ccco1)Cc1cnn2cc(Br)cnc12 ZINC000639165864 567292712 /nfs/dbraw/zinc/29/27/12/567292712.db2.gz ADDWOINTTWGPBL-UHFFFAOYSA-N 2 2 392.301 3.039 20 0 GGADLP C[NH+](CCC[N@H+](C)Cc1cnn2cc(Br)cnc12)Cc1ccco1 ZINC000639165864 567292716 /nfs/dbraw/zinc/29/27/16/567292716.db2.gz ADDWOINTTWGPBL-UHFFFAOYSA-N 2 2 392.301 3.039 20 0 GGADLP C[NH+](CCC[N@@H+](C)Cc1cnn2cc(Br)cnc12)Cc1ccco1 ZINC000639165864 567292719 /nfs/dbraw/zinc/29/27/19/567292719.db2.gz ADDWOINTTWGPBL-UHFFFAOYSA-N 2 2 392.301 3.039 20 0 GGADLP Brc1cccc(OCC[N@@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660466628 567300178 /nfs/dbraw/zinc/30/01/78/567300178.db2.gz ADDNDKDNWIYPQR-QGZVFWFLSA-N 2 2 383.330 3.015 20 0 GGADLP Brc1cccc(OCC[N@H+]2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000660466628 567300185 /nfs/dbraw/zinc/30/01/85/567300185.db2.gz ADDNDKDNWIYPQR-QGZVFWFLSA-N 2 2 383.330 3.015 20 0 GGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685845529 567304842 /nfs/dbraw/zinc/30/48/42/567304842.db2.gz IKEXBDSORRYQCK-UHFFFAOYSA-N 2 2 390.329 3.090 20 0 GGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000685845529 567304847 /nfs/dbraw/zinc/30/48/47/567304847.db2.gz IKEXBDSORRYQCK-UHFFFAOYSA-N 2 2 390.329 3.090 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455866254 567314325 /nfs/dbraw/zinc/31/43/25/567314325.db2.gz MZMZAEOZYWLOJA-ZDUSSCGKSA-N 2 2 398.349 3.106 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455866254 567314330 /nfs/dbraw/zinc/31/43/30/567314330.db2.gz MZMZAEOZYWLOJA-ZDUSSCGKSA-N 2 2 398.349 3.106 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653631 567314965 /nfs/dbraw/zinc/31/49/65/567314965.db2.gz TXFMYHGHFJGNPF-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660653631 567314969 /nfs/dbraw/zinc/31/49/69/567314969.db2.gz TXFMYHGHFJGNPF-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660653631 567314970 /nfs/dbraw/zinc/31/49/70/567314970.db2.gz TXFMYHGHFJGNPF-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660653631 567314971 /nfs/dbraw/zinc/31/49/71/567314971.db2.gz TXFMYHGHFJGNPF-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654965 567317031 /nfs/dbraw/zinc/31/70/31/567317031.db2.gz DMNFDBNDRJSDDQ-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654965 567317035 /nfs/dbraw/zinc/31/70/35/567317035.db2.gz DMNFDBNDRJSDDQ-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654965 567317040 /nfs/dbraw/zinc/31/70/40/567317040.db2.gz DMNFDBNDRJSDDQ-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660654965 567317049 /nfs/dbraw/zinc/31/70/49/567317049.db2.gz DMNFDBNDRJSDDQ-IBGZPJMESA-N 2 2 384.351 3.370 20 0 GGADLP CC(C)C[NH2+]C1(CO)CC[NH+](CCCc2ccccc2Br)CC1 ZINC000660696249 567320790 /nfs/dbraw/zinc/32/07/90/567320790.db2.gz IFXLNFOFTDBCGB-UHFFFAOYSA-N 2 2 383.374 3.454 20 0 GGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3ncc(I)s3)cn21 ZINC000592379060 567334159 /nfs/dbraw/zinc/33/41/59/567334159.db2.gz KRQYVJSDQLFOTH-UHFFFAOYSA-N 2 2 398.273 3.036 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1O ZINC000435053638 567340128 /nfs/dbraw/zinc/34/01/28/567340128.db2.gz UCPLHJHJNIVBOP-CQSZACIVSA-N 2 2 379.254 3.212 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(Br)c1O ZINC000435053638 567340134 /nfs/dbraw/zinc/34/01/34/567340134.db2.gz UCPLHJHJNIVBOP-CQSZACIVSA-N 2 2 379.254 3.212 20 0 GGADLP Brc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2c1OCCO2 ZINC000435040721 567340195 /nfs/dbraw/zinc/34/01/95/567340195.db2.gz MUNUUJKIAUAODB-OAHLLOKOSA-N 2 2 391.265 3.269 20 0 GGADLP Brc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2c1OCCO2 ZINC000435040721 567340201 /nfs/dbraw/zinc/34/02/01/567340201.db2.gz MUNUUJKIAUAODB-OAHLLOKOSA-N 2 2 391.265 3.269 20 0 GGADLP Cn1c[nH+]cc1CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000548796988 567351171 /nfs/dbraw/zinc/35/11/71/567351171.db2.gz MMLMQSVQRZBFOA-UHFFFAOYSA-N 2 2 381.307 3.050 20 0 GGADLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000568819012 567359424 /nfs/dbraw/zinc/35/94/24/567359424.db2.gz AAYMPNZBRMFVMR-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000568819012 567359425 /nfs/dbraw/zinc/35/94/25/567359425.db2.gz AAYMPNZBRMFVMR-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP Brc1cncc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435391939 567359690 /nfs/dbraw/zinc/35/96/90/567359690.db2.gz UWWTZYYTDDLCJS-SFHVURJKSA-N 2 2 375.314 3.383 20 0 GGADLP Brc1cncc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435391939 567359693 /nfs/dbraw/zinc/35/96/93/567359693.db2.gz UWWTZYYTDDLCJS-SFHVURJKSA-N 2 2 375.314 3.383 20 0 GGADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527674314 567359844 /nfs/dbraw/zinc/35/98/44/567359844.db2.gz LIMVNCFQFHPARB-CABCVRRESA-N 2 2 389.284 3.195 20 0 GGADLP Cn1c[nH+]cc1[C@H]1C[C@@H]([NH2+]Cc2ncc(Cl)cc2Br)CCO1 ZINC000527693431 567363654 /nfs/dbraw/zinc/36/36/54/567363654.db2.gz DPIAYJJOKDLSOU-XHDPSFHLSA-N 2 2 385.693 3.241 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1ccc(Br)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436974 567366022 /nfs/dbraw/zinc/36/60/22/567366022.db2.gz HUGRVFBZGLXCFX-AWEZNQCLSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1ccnc1C[N@H+](Cc1ccc(Br)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436974 567366031 /nfs/dbraw/zinc/36/60/31/567366031.db2.gz HUGRVFBZGLXCFX-AWEZNQCLSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1ccnc1C[N@@H+](Cc1ccc(Br)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000435436974 567366033 /nfs/dbraw/zinc/36/60/33/567366033.db2.gz HUGRVFBZGLXCFX-AWEZNQCLSA-N 2 2 395.370 3.388 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cn1 ZINC000568943344 567368229 /nfs/dbraw/zinc/36/82/29/567368229.db2.gz CTZRNONXRXLAKQ-DOPJRALCSA-N 2 2 382.346 3.263 20 0 GGADLP CC[N@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435623944 567379460 /nfs/dbraw/zinc/37/94/60/567379460.db2.gz ICBNRPSZGVIMSM-OAHLLOKOSA-N 2 2 379.302 3.463 20 0 GGADLP CC[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435623944 567379464 /nfs/dbraw/zinc/37/94/64/567379464.db2.gz ICBNRPSZGVIMSM-OAHLLOKOSA-N 2 2 379.302 3.463 20 0 GGADLP CC[N@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435612532 567379749 /nfs/dbraw/zinc/37/97/49/567379749.db2.gz GLLGFJTWQZCEBQ-INIZCTEOSA-N 2 2 393.329 3.387 20 0 GGADLP CC[N@@H+](Cc1nc(Cc2cccc(Br)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435612532 567379755 /nfs/dbraw/zinc/37/97/55/567379755.db2.gz GLLGFJTWQZCEBQ-INIZCTEOSA-N 2 2 393.329 3.387 20 0 GGADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469675 567391702 /nfs/dbraw/zinc/39/17/02/567391702.db2.gz WDAVZAHIQUMOMU-QMTHXVAHSA-N 2 2 378.685 3.374 20 0 GGADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469675 567391708 /nfs/dbraw/zinc/39/17/08/567391708.db2.gz WDAVZAHIQUMOMU-QMTHXVAHSA-N 2 2 378.685 3.374 20 0 GGADLP CCOc1c(Br)cc(Br)cc1C[N@H+](C)CCC[NH3+] ZINC000569363056 567400025 /nfs/dbraw/zinc/40/00/25/567400025.db2.gz YEXIAWDWXYJHES-UHFFFAOYSA-N 2 2 380.124 3.391 20 0 GGADLP CCOc1c(Br)cc(Br)cc1C[N@@H+](C)CCC[NH3+] ZINC000569363056 567400029 /nfs/dbraw/zinc/40/00/29/567400029.db2.gz YEXIAWDWXYJHES-UHFFFAOYSA-N 2 2 380.124 3.391 20 0 GGADLP COc1ccc(Br)c(C[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000569405852 567402173 /nfs/dbraw/zinc/40/21/73/567402173.db2.gz YCTSSRBHHQTJMM-UHFFFAOYSA-N 2 2 394.313 3.083 20 0 GGADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000593293207 567404306 /nfs/dbraw/zinc/40/43/06/567404306.db2.gz LWLABQBLNGLIRS-AWEZNQCLSA-N 2 2 397.342 3.003 20 0 GGADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000593293207 567404315 /nfs/dbraw/zinc/40/43/15/567404315.db2.gz LWLABQBLNGLIRS-AWEZNQCLSA-N 2 2 397.342 3.003 20 0 GGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000662282635 567424644 /nfs/dbraw/zinc/42/46/44/567424644.db2.gz PQBMWONRAKBCIE-AWEZNQCLSA-N 2 2 398.736 3.298 20 0 GGADLP C[C@@H]1C[NH+](CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000550078026 567425887 /nfs/dbraw/zinc/42/58/87/567425887.db2.gz NTHIAHCZIMDAFN-BFYDXBDKSA-N 2 2 381.358 3.395 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000569723769 567427265 /nfs/dbraw/zinc/42/72/65/567427265.db2.gz NIJMWFZHEKRWPJ-ZMLRMANQSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@@H]21 ZINC000569723769 567427270 /nfs/dbraw/zinc/42/72/70/567427270.db2.gz NIJMWFZHEKRWPJ-ZMLRMANQSA-N 2 2 383.315 3.120 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)c3cc4c(s3)CC[NH2+]C4)n2)CC1 ZINC000662365107 567429594 /nfs/dbraw/zinc/42/95/94/567429594.db2.gz OZVHEFQRSSDGFB-UHFFFAOYSA-N 2 2 376.551 3.335 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cc4c(s3)CC[NH2+]C4)n2)C1 ZINC000662363976 567429644 /nfs/dbraw/zinc/42/96/44/567429644.db2.gz PDBZSPQOSMJFSZ-LBPRGKRZSA-N 2 2 376.551 3.335 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cc4c(s3)CC[NH2+]C4)n2)C1 ZINC000662363976 567429653 /nfs/dbraw/zinc/42/96/53/567429653.db2.gz PDBZSPQOSMJFSZ-LBPRGKRZSA-N 2 2 376.551 3.335 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238877 567435135 /nfs/dbraw/zinc/43/51/35/567435135.db2.gz NYCLIRPBXYDMDC-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238877 567435137 /nfs/dbraw/zinc/43/51/37/567435137.db2.gz NYCLIRPBXYDMDC-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238877 567435142 /nfs/dbraw/zinc/43/51/42/567435142.db2.gz NYCLIRPBXYDMDC-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238877 567435144 /nfs/dbraw/zinc/43/51/44/567435144.db2.gz NYCLIRPBXYDMDC-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662445115 567438529 /nfs/dbraw/zinc/43/85/29/567438529.db2.gz ONQVEWCOCICKFQ-SQNIBIBYSA-N 2 2 394.357 3.172 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662539786 567446247 /nfs/dbraw/zinc/44/62/47/567446247.db2.gz KIFKRZPNBLBBHZ-QGZVFWFLSA-N 2 2 393.329 3.147 20 0 GGADLP C[C@H]1C[N@@H+](C2CC[NH+](CCOc3ccc(Br)cc3)CC2)CCO1 ZINC000502659774 567446865 /nfs/dbraw/zinc/44/68/65/567446865.db2.gz ZGGQUNHPYSTYGD-HNNXBMFYSA-N 2 2 383.330 3.013 20 0 GGADLP C[C@H]1C[N@H+](C2CC[NH+](CCOc3ccc(Br)cc3)CC2)CCO1 ZINC000502659774 567446872 /nfs/dbraw/zinc/44/68/72/567446872.db2.gz ZGGQUNHPYSTYGD-HNNXBMFYSA-N 2 2 383.330 3.013 20 0 GGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009044 567451759 /nfs/dbraw/zinc/45/17/59/567451759.db2.gz MXIIVIZYSWUIPF-GOEBONIOSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009044 567451763 /nfs/dbraw/zinc/45/17/63/567451763.db2.gz MXIIVIZYSWUIPF-GOEBONIOSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009044 567451766 /nfs/dbraw/zinc/45/17/66/567451766.db2.gz MXIIVIZYSWUIPF-GOEBONIOSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009044 567451769 /nfs/dbraw/zinc/45/17/69/567451769.db2.gz MXIIVIZYSWUIPF-GOEBONIOSA-N 2 2 381.314 3.136 20 0 GGADLP Cc1sc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)nc1-c1ccc(Cl)cc1 ZINC000570093672 567457645 /nfs/dbraw/zinc/45/76/45/567457645.db2.gz YKKWAXZCXZEAHI-SFHVURJKSA-N 2 2 378.929 3.427 20 0 GGADLP C[C@H]1C[C@@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c2ccsc2S1 ZINC000641785940 567457734 /nfs/dbraw/zinc/45/77/34/567457734.db2.gz GSMUFFNXWKFVGH-XYJFISCASA-N 2 2 381.611 3.060 20 0 GGADLP CN(CC[NH+]1CCCC1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503030253 567464655 /nfs/dbraw/zinc/46/46/55/567464655.db2.gz GKBQAIWEXAVJOM-SFHVURJKSA-N 2 2 394.357 3.140 20 0 GGADLP C[C@@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000503017956 567465067 /nfs/dbraw/zinc/46/50/67/567465067.db2.gz DPFQOEBGKNAVFL-KBXCAEBGSA-N 2 2 394.357 3.185 20 0 GGADLP C[C@@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000503017956 567465071 /nfs/dbraw/zinc/46/50/71/567465071.db2.gz DPFQOEBGKNAVFL-KBXCAEBGSA-N 2 2 394.357 3.185 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000662884827 567468848 /nfs/dbraw/zinc/46/88/48/567468848.db2.gz ZCZJXVCBPHREBB-WMZOPIPTSA-N 2 2 377.941 3.155 20 0 GGADLP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000478587610 567469494 /nfs/dbraw/zinc/46/94/94/567469494.db2.gz ADNYNSHJSIYBPY-LBPRGKRZSA-N 2 2 381.318 3.188 20 0 GGADLP CC(C)[N@H+](C)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503232173 567475027 /nfs/dbraw/zinc/47/50/27/567475027.db2.gz NWQZVRBFCJXLMQ-QGZVFWFLSA-N 2 2 382.346 3.042 20 0 GGADLP CC(C)[N@@H+](C)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503232173 567475030 /nfs/dbraw/zinc/47/50/30/567475030.db2.gz NWQZVRBFCJXLMQ-QGZVFWFLSA-N 2 2 382.346 3.042 20 0 GGADLP C[NH+](C)C1(C[NH2+]C2CCN(Cc3ccccc3Br)CC2)CCC1 ZINC000437105629 567476782 /nfs/dbraw/zinc/47/67/82/567476782.db2.gz DGQFDTOYLFJYGR-UHFFFAOYSA-N 2 2 380.374 3.487 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H](C)C(=O)OC(C)(C)C)c[nH+]c12 ZINC000594515341 567483270 /nfs/dbraw/zinc/48/32/70/567483270.db2.gz NZQJKTORCRJKAK-GFCCVEGCSA-N 2 2 382.302 3.473 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000663303283 567493972 /nfs/dbraw/zinc/49/39/72/567493972.db2.gz DJLVDKCEYBGCJG-SWLSCSKDSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000663304427 567494619 /nfs/dbraw/zinc/49/46/19/567494619.db2.gz QPSMLKMGQSKHJQ-SWLSCSKDSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000663304428 567495704 /nfs/dbraw/zinc/49/57/04/567495704.db2.gz QPSMLKMGQSKHJQ-WFASDCNBSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000663305272 567495729 /nfs/dbraw/zinc/49/57/29/567495729.db2.gz WSCAVHLASKNMMO-IUODEOHRSA-N 2 2 386.323 3.163 20 0 GGADLP Cc1nc(NCc2ccccc2C[NH+]2CCOCC2)c(Br)c(C)[nH+]1 ZINC000663349615 567498885 /nfs/dbraw/zinc/49/88/85/567498885.db2.gz MVACLDDGWDDHEW-UHFFFAOYSA-N 2 2 391.313 3.300 20 0 GGADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(Br)cc1C(F)(F)F ZINC000479058558 567499039 /nfs/dbraw/zinc/49/90/39/567499039.db2.gz KGSIABIQJIKUDA-RISCZKNCSA-N 2 2 383.252 3.431 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663346939 567499989 /nfs/dbraw/zinc/49/99/89/567499989.db2.gz YCTOZXQADBDMFI-MRXNPFEDSA-N 2 2 384.973 3.345 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346939 567499991 /nfs/dbraw/zinc/49/99/91/567499991.db2.gz YCTOZXQADBDMFI-MRXNPFEDSA-N 2 2 384.973 3.345 20 0 GGADLP CC(C)C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cccc(Br)c1 ZINC000479082630 567502127 /nfs/dbraw/zinc/50/21/27/567502127.db2.gz UHORAJWIHSUDOJ-MSOLQXFVSA-N 2 2 396.373 3.466 20 0 GGADLP CC(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cccc(Br)c1 ZINC000479082630 567502130 /nfs/dbraw/zinc/50/21/30/567502130.db2.gz UHORAJWIHSUDOJ-MSOLQXFVSA-N 2 2 396.373 3.466 20 0 GGADLP CC(C)C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000479083033 567502548 /nfs/dbraw/zinc/50/25/48/567502548.db2.gz UHORAJWIHSUDOJ-ZWKOTPCHSA-N 2 2 396.373 3.466 20 0 GGADLP CC(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cccc(Br)c1 ZINC000479083033 567502551 /nfs/dbraw/zinc/50/25/51/567502551.db2.gz UHORAJWIHSUDOJ-ZWKOTPCHSA-N 2 2 396.373 3.466 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CCC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000643521505 567511932 /nfs/dbraw/zinc/51/19/32/567511932.db2.gz MTMDUBRYGLVOLF-WFASDCNBSA-N 2 2 378.318 3.131 20 0 GGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479286507 567521635 /nfs/dbraw/zinc/52/16/35/567521635.db2.gz RHFQHWNJCOWFEA-YGRLFVJLSA-N 2 2 381.236 3.185 20 0 GGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479286507 567521638 /nfs/dbraw/zinc/52/16/38/567521638.db2.gz RHFQHWNJCOWFEA-YGRLFVJLSA-N 2 2 381.236 3.185 20 0 GGADLP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479335037 567526479 /nfs/dbraw/zinc/52/64/79/567526479.db2.gz KHLZPXMSRJINHB-LBPRGKRZSA-N 2 2 394.368 3.167 20 0 GGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479339757 567526683 /nfs/dbraw/zinc/52/66/83/567526683.db2.gz CENOMYIUKWTPRI-NWDGAFQWSA-N 2 2 394.368 3.023 20 0 GGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479339757 567526690 /nfs/dbraw/zinc/52/66/90/567526690.db2.gz CENOMYIUKWTPRI-NWDGAFQWSA-N 2 2 394.368 3.023 20 0 GGADLP Clc1ccc(I)c(C[NH2+]CCCn2cc[nH+]c2)c1 ZINC000594929300 567527641 /nfs/dbraw/zinc/52/76/41/567527641.db2.gz UUPGFUXNVQMEAT-UHFFFAOYSA-N 2 2 375.641 3.321 20 0 GGADLP C[C@H](C[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000479358512 567528078 /nfs/dbraw/zinc/52/80/78/567528078.db2.gz JFGRJHZSFCVZEZ-VXGBXAGGSA-N 2 2 394.368 3.023 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCC[C@@H]([S@@](C)=O)C3)c[nH+]c12 ZINC000594958995 567528757 /nfs/dbraw/zinc/52/87/57/567528757.db2.gz BURBLJBYOYKDNI-DZKLMBRESA-N 2 2 384.343 3.185 20 0 GGADLP Clc1cc(I)cc(C[NH2+]Cc2c[nH+]c3n2CCC3)c1 ZINC000594951173 567529216 /nfs/dbraw/zinc/52/92/16/567529216.db2.gz SJXVQCXSFWPFSZ-UHFFFAOYSA-N 2 2 387.652 3.377 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCCc4nn(C)cc43)[nH+]c12 ZINC000479454414 567535819 /nfs/dbraw/zinc/53/58/19/567535819.db2.gz OGEQDPZPAPTJMF-MRXNPFEDSA-N 2 2 388.313 3.348 20 0 GGADLP C[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)C[NH+]1CCCCC1 ZINC000571091929 567536058 /nfs/dbraw/zinc/53/60/58/567536058.db2.gz IFCHTZXHEYEFSA-OAHLLOKOSA-N 2 2 392.345 3.241 20 0 GGADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 ZINC000620758067 567539886 /nfs/dbraw/zinc/53/98/86/567539886.db2.gz KPTJYYXOYBKLEF-UHFFFAOYSA-N 2 2 382.291 3.117 20 0 GGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000504925422 567552832 /nfs/dbraw/zinc/55/28/32/567552832.db2.gz UUNMHTTUCVUJFR-OAHLLOKOSA-N 2 2 381.318 3.188 20 0 GGADLP CCc1nocc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552042612 567553389 /nfs/dbraw/zinc/55/33/89/567553389.db2.gz PNIIFGAVLCHGOL-UHFFFAOYSA-N 2 2 379.258 3.491 20 0 GGADLP CCc1nocc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000552042612 567553396 /nfs/dbraw/zinc/55/33/96/567553396.db2.gz PNIIFGAVLCHGOL-UHFFFAOYSA-N 2 2 379.258 3.491 20 0 GGADLP O[C@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1ccc(Cl)c(Cl)c1 ZINC000644514889 567554477 /nfs/dbraw/zinc/55/44/77/567554477.db2.gz DFZOIDOVANFYRE-CQSZACIVSA-N 2 2 380.275 3.213 20 0 GGADLP O[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1ccc(Cl)c(Cl)c1 ZINC000644514888 567555499 /nfs/dbraw/zinc/55/54/99/567555499.db2.gz DFZOIDOVANFYRE-AWEZNQCLSA-N 2 2 380.275 3.213 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644532701 567556015 /nfs/dbraw/zinc/55/60/15/567556015.db2.gz JOJOWNIJKNWDPM-GOSISDBHSA-N 2 2 393.325 3.040 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644532701 567556023 /nfs/dbraw/zinc/55/60/23/567556023.db2.gz JOJOWNIJKNWDPM-GOSISDBHSA-N 2 2 393.325 3.040 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571404163 567559605 /nfs/dbraw/zinc/55/96/05/567559605.db2.gz KQOIDCUGEYTBHF-STQMWFEESA-N 2 2 386.323 3.008 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571404163 567559611 /nfs/dbraw/zinc/55/96/11/567559611.db2.gz KQOIDCUGEYTBHF-STQMWFEESA-N 2 2 386.323 3.008 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000552111005 567560397 /nfs/dbraw/zinc/56/03/97/567560397.db2.gz LXJQUSDUNSRVJL-UHFFFAOYSA-N 2 2 387.293 3.095 20 0 GGADLP C[C@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]cc3Br)c2)CCO1 ZINC000571458748 567563646 /nfs/dbraw/zinc/56/36/46/567563646.db2.gz BMXQFSRCBIPOHF-AWEZNQCLSA-N 2 2 376.298 3.099 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]cc3Br)c2)CCO1 ZINC000571458748 567563652 /nfs/dbraw/zinc/56/36/52/567563652.db2.gz BMXQFSRCBIPOHF-AWEZNQCLSA-N 2 2 376.298 3.099 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000571445697 567564027 /nfs/dbraw/zinc/56/40/27/567564027.db2.gz NAAZWDPGAYZFNU-IJLUTSLNSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000571445697 567564032 /nfs/dbraw/zinc/56/40/32/567564032.db2.gz NAAZWDPGAYZFNU-IJLUTSLNSA-N 2 2 375.822 3.227 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CCC2 ZINC000644605944 567564695 /nfs/dbraw/zinc/56/46/95/567564695.db2.gz CNNFTSSNTNVJOP-AWEZNQCLSA-N 2 2 391.313 3.450 20 0 GGADLP Ic1ccc2c(c1)[C@@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000480015980 567575704 /nfs/dbraw/zinc/57/57/04/567575704.db2.gz GVWAGAYLVCBJFF-HNNXBMFYSA-N 2 2 386.277 3.190 20 0 GGADLP CC[NH+]1CCC([NH2+][C@H](C)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000480030079 567577245 /nfs/dbraw/zinc/57/72/45/567577245.db2.gz ODYUDACGWHAWLU-CYBMUJFWSA-N 2 2 392.345 3.473 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Br)c3F)C2)CC1 ZINC000571748083 567586787 /nfs/dbraw/zinc/58/67/87/567586787.db2.gz VUWZZZXLCIESRU-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Br)c3F)C2)CC1 ZINC000571748083 567586794 /nfs/dbraw/zinc/58/67/94/567586794.db2.gz VUWZZZXLCIESRU-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cn(C(C)(C)C)nn3)[nH+]c12 ZINC000480286123 567594935 /nfs/dbraw/zinc/59/49/35/567594935.db2.gz ARMQLANDLNDTCL-UHFFFAOYSA-N 2 2 391.317 3.084 20 0 GGADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000645271246 567616262 /nfs/dbraw/zinc/61/62/62/567616262.db2.gz FSUSTPZAEDEURM-ROUUACIJSA-N 2 2 381.358 3.301 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000645271246 567616269 /nfs/dbraw/zinc/61/62/69/567616269.db2.gz FSUSTPZAEDEURM-ROUUACIJSA-N 2 2 381.358 3.301 20 0 GGADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000645271246 567616274 /nfs/dbraw/zinc/61/62/74/567616274.db2.gz FSUSTPZAEDEURM-ROUUACIJSA-N 2 2 381.358 3.301 20 0 GGADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000645271246 567616278 /nfs/dbraw/zinc/61/62/78/567616278.db2.gz FSUSTPZAEDEURM-ROUUACIJSA-N 2 2 381.358 3.301 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(O)c3Br)CC2)CC1 ZINC000459368235 567618057 /nfs/dbraw/zinc/61/80/57/567618057.db2.gz ZLYZDKHHJVHYIG-UHFFFAOYSA-N 2 2 396.373 3.145 20 0 GGADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cccc(O)c3Br)CC2)CC1 ZINC000459360289 567618526 /nfs/dbraw/zinc/61/85/26/567618526.db2.gz RKCIWPAIJMMFIV-UHFFFAOYSA-N 2 2 396.373 3.145 20 0 GGADLP Oc1cccc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1Br ZINC000459395059 567620955 /nfs/dbraw/zinc/62/09/55/567620955.db2.gz TWXFIJAHXMSBJH-UHFFFAOYSA-N 2 2 376.298 3.304 20 0 GGADLP C[C@H](NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000572241041 567623693 /nfs/dbraw/zinc/62/36/93/567623693.db2.gz ILFOMNOBHDTDOP-YXJHDRRASA-N 2 2 394.357 3.090 20 0 GGADLP Clc1cnn(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000459455367 567625515 /nfs/dbraw/zinc/62/55/15/567625515.db2.gz CWQQHMQFGMPSCI-UHFFFAOYSA-N 2 2 398.692 3.291 20 0 GGADLP Clc1cnn(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000459455367 567625519 /nfs/dbraw/zinc/62/55/19/567625519.db2.gz CWQQHMQFGMPSCI-UHFFFAOYSA-N 2 2 398.692 3.291 20 0 GGADLP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(O)c1Br ZINC000459564141 567637261 /nfs/dbraw/zinc/63/72/61/567637261.db2.gz DJUIKSKELKQOQQ-UHFFFAOYSA-N 2 2 384.362 3.004 20 0 GGADLP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(O)c1Br ZINC000459564141 567637266 /nfs/dbraw/zinc/63/72/66/567637266.db2.gz DJUIKSKELKQOQQ-UHFFFAOYSA-N 2 2 384.362 3.004 20 0 GGADLP C[N@@H+]1CCN(CCNc2cc[nH+]c3c(Br)cccc23)CC1(C)C ZINC000440662606 567638468 /nfs/dbraw/zinc/63/84/68/567638468.db2.gz GGXWGUFGOXGAIU-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GGADLP C[N@H+]1CCN(CCNc2cc[nH+]c3c(Br)cccc23)CC1(C)C ZINC000440662606 567638473 /nfs/dbraw/zinc/63/84/73/567638473.db2.gz GGXWGUFGOXGAIU-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@H](NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(Br)cc1 ZINC000441330439 567660947 /nfs/dbraw/zinc/66/09/47/567660947.db2.gz GOZXJAYFVHKLMP-YJBOKZPZSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H](NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(Br)cc1 ZINC000441330439 567660950 /nfs/dbraw/zinc/66/09/50/567660950.db2.gz GOZXJAYFVHKLMP-YJBOKZPZSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000441330439 567660956 /nfs/dbraw/zinc/66/09/56/567660956.db2.gz GOZXJAYFVHKLMP-YJBOKZPZSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Br)cc1 ZINC000441330439 567660959 /nfs/dbraw/zinc/66/09/59/567660959.db2.gz GOZXJAYFVHKLMP-YJBOKZPZSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H](NC(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(Br)cc1 ZINC000441330436 567660990 /nfs/dbraw/zinc/66/09/90/567660990.db2.gz GOZXJAYFVHKLMP-MAUKXSAKSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H](NC(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccc(Br)cc1 ZINC000441330436 567660993 /nfs/dbraw/zinc/66/09/93/567660993.db2.gz GOZXJAYFVHKLMP-MAUKXSAKSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000441330436 567660998 /nfs/dbraw/zinc/66/09/98/567660998.db2.gz GOZXJAYFVHKLMP-MAUKXSAKSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H](NC(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C)c1ccc(Br)cc1 ZINC000441330436 567661002 /nfs/dbraw/zinc/66/10/02/567661002.db2.gz GOZXJAYFVHKLMP-MAUKXSAKSA-N 2 2 396.373 3.433 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441343957 567662749 /nfs/dbraw/zinc/66/27/49/567662749.db2.gz CYUGLOSZKMTGMD-QGZVFWFLSA-N 2 2 396.373 3.214 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000441343957 567662755 /nfs/dbraw/zinc/66/27/55/567662755.db2.gz CYUGLOSZKMTGMD-QGZVFWFLSA-N 2 2 396.373 3.214 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000441343957 567662759 /nfs/dbraw/zinc/66/27/59/567662759.db2.gz CYUGLOSZKMTGMD-QGZVFWFLSA-N 2 2 396.373 3.214 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000441343957 567662764 /nfs/dbraw/zinc/66/27/64/567662764.db2.gz CYUGLOSZKMTGMD-QGZVFWFLSA-N 2 2 396.373 3.214 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441343955 567663265 /nfs/dbraw/zinc/66/32/65/567663265.db2.gz CYUGLOSZKMTGMD-KRWDZBQOSA-N 2 2 396.373 3.214 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000441343955 567663283 /nfs/dbraw/zinc/66/32/83/567663283.db2.gz CYUGLOSZKMTGMD-KRWDZBQOSA-N 2 2 396.373 3.214 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000441343955 567663285 /nfs/dbraw/zinc/66/32/85/567663285.db2.gz CYUGLOSZKMTGMD-KRWDZBQOSA-N 2 2 396.373 3.214 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000441343955 567663289 /nfs/dbraw/zinc/66/32/89/567663289.db2.gz CYUGLOSZKMTGMD-KRWDZBQOSA-N 2 2 396.373 3.214 20 0 GGADLP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000531738432 567676298 /nfs/dbraw/zinc/67/62/98/567676298.db2.gz SIERKYGTXXCWBO-BEFAXECRSA-N 2 2 383.989 3.104 20 0 GGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cnc3ccc(Br)cn23)CC1 ZINC000623088976 567684170 /nfs/dbraw/zinc/68/41/70/567684170.db2.gz OMZAZMLGOHLCMS-UHFFFAOYSA-N 2 2 387.272 3.164 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000531994639 567691575 /nfs/dbraw/zinc/69/15/75/567691575.db2.gz FQKRIMUQQSKOFG-SCLBCKFNSA-N 2 2 385.961 3.093 20 0 GGADLP COc1c(Br)cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1Br ZINC000666746498 567702224 /nfs/dbraw/zinc/70/22/24/567702224.db2.gz MQHSZWIOZVMTNH-LBPRGKRZSA-N 2 2 378.108 3.047 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532212257 567702905 /nfs/dbraw/zinc/70/29/05/567702905.db2.gz TYCMWEJTNUUKOZ-AWEZNQCLSA-N 2 2 379.302 3.433 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000623420725 567709203 /nfs/dbraw/zinc/70/92/03/567709203.db2.gz MYFKLKMWSDHMBQ-MAUKXSAKSA-N 2 2 384.362 3.379 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(Br)cn2)[C@@H](C)C1 ZINC000623420725 567709206 /nfs/dbraw/zinc/70/92/06/567709206.db2.gz MYFKLKMWSDHMBQ-MAUKXSAKSA-N 2 2 384.362 3.379 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666947081 567714048 /nfs/dbraw/zinc/71/40/48/567714048.db2.gz ZDWNTHCSPPRXNZ-GJZGRUSLSA-N 2 2 381.293 3.041 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000532447108 567716723 /nfs/dbraw/zinc/71/67/23/567716723.db2.gz YXNQOPSUWHXCDO-HUUCEWRRSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000532447108 567716727 /nfs/dbraw/zinc/71/67/27/567716727.db2.gz YXNQOPSUWHXCDO-HUUCEWRRSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000532447107 567716865 /nfs/dbraw/zinc/71/68/65/567716865.db2.gz YXNQOPSUWHXCDO-GJZGRUSLSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000532447107 567716868 /nfs/dbraw/zinc/71/68/68/567716868.db2.gz YXNQOPSUWHXCDO-GJZGRUSLSA-N 2 2 382.346 3.488 20 0 GGADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000461033261 567717008 /nfs/dbraw/zinc/71/70/08/567717008.db2.gz YZHQCIOJXBVFBE-CRAIPNDOSA-N 2 2 396.373 3.431 20 0 GGADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000461033261 567717014 /nfs/dbraw/zinc/71/70/14/567717014.db2.gz YZHQCIOJXBVFBE-CRAIPNDOSA-N 2 2 396.373 3.431 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000532459474 567717506 /nfs/dbraw/zinc/71/75/06/567717506.db2.gz TUUVVSWFPPJYEZ-HUUCEWRRSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000532459474 567717510 /nfs/dbraw/zinc/71/75/10/567717510.db2.gz TUUVVSWFPPJYEZ-HUUCEWRRSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000532476098 567718448 /nfs/dbraw/zinc/71/84/48/567718448.db2.gz GZEJJQVSJDCKQJ-HNNXBMFYSA-N 2 2 391.357 3.461 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000532476098 567718451 /nfs/dbraw/zinc/71/84/51/567718451.db2.gz GZEJJQVSJDCKQJ-HNNXBMFYSA-N 2 2 391.357 3.461 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1sccc1Br ZINC000532507591 567720514 /nfs/dbraw/zinc/72/05/14/567720514.db2.gz MMMBHVPVCACSEZ-LBPRGKRZSA-N 2 2 388.375 3.104 20 0 GGADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646479911 567720253 /nfs/dbraw/zinc/72/02/53/567720253.db2.gz AWNMKKAAPNGWIN-JLSDUUJJSA-N 2 2 394.357 3.137 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCCN3CC(F)F)c[nH+]c12 ZINC000623624897 567726485 /nfs/dbraw/zinc/72/64/85/567726485.db2.gz CVQPVSWDBUDWDF-CYBMUJFWSA-N 2 2 387.272 3.224 20 0 GGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000623656995 567729722 /nfs/dbraw/zinc/72/97/22/567729722.db2.gz HJFUHDKTRQRYRB-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000623656995 567729726 /nfs/dbraw/zinc/72/97/26/567729726.db2.gz HJFUHDKTRQRYRB-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000532763495 567732769 /nfs/dbraw/zinc/73/27/69/567732769.db2.gz NCHKOALVMZZVHW-YJBOKZPZSA-N 2 2 381.973 3.030 20 0 GGADLP COc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)c(Br)c1O ZINC000508493833 567750912 /nfs/dbraw/zinc/75/09/12/567750912.db2.gz YLWURMINQFRZMP-UHFFFAOYSA-N 2 2 389.253 3.415 20 0 GGADLP CC1(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000646963708 567752584 /nfs/dbraw/zinc/75/25/84/567752584.db2.gz KICXUXFCUFYLAG-QGZVFWFLSA-N 2 2 394.357 3.092 20 0 GGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000554860087 567752831 /nfs/dbraw/zinc/75/28/31/567752831.db2.gz WSLDXXNLBSNPQG-UHFFFAOYSA-N 2 2 390.325 3.495 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3cscc3Br)[nH+]c2)CC1 ZINC000508617084 567757520 /nfs/dbraw/zinc/75/75/20/567757520.db2.gz GNVNONINUGZCRX-UHFFFAOYSA-N 2 2 395.370 3.470 20 0 GGADLP Cc1[nH+]cc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)n1C ZINC000667584848 567757732 /nfs/dbraw/zinc/75/77/32/567757732.db2.gz IKTZWJBJENIJBO-UHFFFAOYSA-N 2 2 391.313 3.342 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3csc(Br)c3)[nH+]c2)CC1 ZINC000533187300 567758027 /nfs/dbraw/zinc/75/80/27/567758027.db2.gz NMGKYQLBOJKNJP-UHFFFAOYSA-N 2 2 395.370 3.470 20 0 GGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3cscc3Br)[nH+]c2)C1 ZINC000508618485 567758367 /nfs/dbraw/zinc/75/83/67/567758367.db2.gz JUQKIKRTHRVSRT-AWEZNQCLSA-N 2 2 381.343 3.080 20 0 GGADLP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000647077809 567758822 /nfs/dbraw/zinc/75/88/22/567758822.db2.gz NCINWBRFBCHAGS-ZWKOTPCHSA-N 2 2 394.357 3.234 20 0 GGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3cscc3Br)[nH+]c2)C1 ZINC000508618489 567758996 /nfs/dbraw/zinc/75/89/96/567758996.db2.gz JUQKIKRTHRVSRT-CQSZACIVSA-N 2 2 381.343 3.080 20 0 GGADLP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000647077806 567759025 /nfs/dbraw/zinc/75/90/25/567759025.db2.gz NCINWBRFBCHAGS-MSOLQXFVSA-N 2 2 394.357 3.234 20 0 GGADLP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000647077807 567759151 /nfs/dbraw/zinc/75/91/51/567759151.db2.gz NCINWBRFBCHAGS-QZTJIDSGSA-N 2 2 394.357 3.234 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533238863 567760398 /nfs/dbraw/zinc/76/03/98/567760398.db2.gz ZSFYBPCKOFNNDW-SFHVURJKSA-N 2 2 375.563 3.291 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1ccsc1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000533238863 567760401 /nfs/dbraw/zinc/76/04/01/567760401.db2.gz ZSFYBPCKOFNNDW-SFHVURJKSA-N 2 2 375.563 3.291 20 0 GGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624123442 567761843 /nfs/dbraw/zinc/76/18/43/567761843.db2.gz LYNXZNDGNNVKRA-NWDGAFQWSA-N 2 2 394.368 3.023 20 0 GGADLP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624123442 567761846 /nfs/dbraw/zinc/76/18/46/567761846.db2.gz LYNXZNDGNNVKRA-NWDGAFQWSA-N 2 2 394.368 3.023 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624123441 567762226 /nfs/dbraw/zinc/76/22/26/567762226.db2.gz LYNXZNDGNNVKRA-NEPJUHHUSA-N 2 2 394.368 3.023 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624123441 567762231 /nfs/dbraw/zinc/76/22/31/567762231.db2.gz LYNXZNDGNNVKRA-NEPJUHHUSA-N 2 2 394.368 3.023 20 0 GGADLP Brc1ccc2oc(C[N@@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000667670270 567763194 /nfs/dbraw/zinc/76/31/94/567763194.db2.gz IVGBAGXHXKQLBV-CQSZACIVSA-N 2 2 379.298 3.349 20 0 GGADLP Brc1ccc2oc(C[N@H+]3CC[C@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000667670270 567763196 /nfs/dbraw/zinc/76/31/96/567763196.db2.gz IVGBAGXHXKQLBV-CQSZACIVSA-N 2 2 379.298 3.349 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CC[NH+](C4CCOCC4)CC3)c12 ZINC000443512842 567764200 /nfs/dbraw/zinc/76/42/00/567764200.db2.gz VOICITQPOCVDED-UHFFFAOYSA-N 2 2 394.288 3.437 20 0 GGADLP C[C@@H](Nc1cc[nH+]c2c(Br)ccc(F)c12)[C@H](C)[NH+]1CCOCC1 ZINC000443514117 567764520 /nfs/dbraw/zinc/76/45/20/567764520.db2.gz FGBPCNPYIZIPHU-NEPJUHHUSA-N 2 2 382.277 3.079 20 0 GGADLP COCC[NH+]1CCC(Nc2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443517734 567765924 /nfs/dbraw/zinc/76/59/24/567765924.db2.gz JXELSFUFEAXMHN-UHFFFAOYSA-N 2 2 382.277 3.081 20 0 GGADLP CC[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)C(=O)NCc1cccs1 ZINC000647241582 567774460 /nfs/dbraw/zinc/77/44/60/567774460.db2.gz RVLQEDCGERJEGZ-OAHLLOKOSA-N 2 2 377.476 3.149 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647499038 567788307 /nfs/dbraw/zinc/78/83/07/567788307.db2.gz XJVMRIZBDHDCDH-WMLDXEAASA-N 2 2 385.346 3.424 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647499038 567788308 /nfs/dbraw/zinc/78/83/08/567788308.db2.gz XJVMRIZBDHDCDH-WMLDXEAASA-N 2 2 385.346 3.424 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000574813142 567798482 /nfs/dbraw/zinc/79/84/82/567798482.db2.gz RHVGZEUQEZFFFC-GDBMZVCRSA-N 2 2 394.357 3.406 20 0 GGADLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)cc1Br ZINC000574803607 567798637 /nfs/dbraw/zinc/79/86/37/567798637.db2.gz NUDUAKLNFAAFQJ-SNVBAGLBSA-N 2 2 382.281 3.024 20 0 GGADLP C[C@@H]1CSCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139954 567801200 /nfs/dbraw/zinc/80/12/00/567801200.db2.gz SMSATMOZFNKXPO-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP C[C@@H]1CSCC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139954 567801204 /nfs/dbraw/zinc/80/12/04/567801204.db2.gz SMSATMOZFNKXPO-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@@H]1C[NH3+] ZINC000647847057 567803270 /nfs/dbraw/zinc/80/32/70/567803270.db2.gz XDBMJCGUPQRNBM-SUMWQHHRSA-N 2 2 375.314 3.465 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@@H]1C[NH3+] ZINC000647847057 567803273 /nfs/dbraw/zinc/80/32/73/567803273.db2.gz XDBMJCGUPQRNBM-SUMWQHHRSA-N 2 2 375.314 3.465 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000534219372 567803919 /nfs/dbraw/zinc/80/39/19/567803919.db2.gz JDPSOEJSPYBLDW-UHFFFAOYSA-N 2 2 395.320 3.301 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000647907782 567806776 /nfs/dbraw/zinc/80/67/76/567806776.db2.gz UFKFITGQSWRIHC-OUAUKWLOSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000647907782 567806780 /nfs/dbraw/zinc/80/67/80/567806780.db2.gz UFKFITGQSWRIHC-OUAUKWLOSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]21 ZINC000647907905 567806969 /nfs/dbraw/zinc/80/69/69/567806969.db2.gz OCKQMYBCSDWXLA-MPKXVKKWSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]21 ZINC000647907905 567806971 /nfs/dbraw/zinc/80/69/71/567806971.db2.gz OCKQMYBCSDWXLA-MPKXVKKWSA-N 2 2 375.822 3.357 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000534309473 567807316 /nfs/dbraw/zinc/80/73/16/567807316.db2.gz TYCOZTOIVGAISM-ZIAGYGMSSA-N 2 2 391.313 3.308 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000534309473 567807321 /nfs/dbraw/zinc/80/73/21/567807321.db2.gz TYCOZTOIVGAISM-ZIAGYGMSSA-N 2 2 391.313 3.308 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000534309471 567807678 /nfs/dbraw/zinc/80/76/78/567807678.db2.gz TYCOZTOIVGAISM-KGLIPLIRSA-N 2 2 391.313 3.308 20 0 GGADLP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000534309471 567807682 /nfs/dbraw/zinc/80/76/82/567807682.db2.gz TYCOZTOIVGAISM-KGLIPLIRSA-N 2 2 391.313 3.308 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647975215 567809257 /nfs/dbraw/zinc/80/92/57/567809257.db2.gz QWEMDKAOEGCXIL-CABCVRRESA-N 2 2 380.330 3.099 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647975215 567809258 /nfs/dbraw/zinc/80/92/58/567809258.db2.gz QWEMDKAOEGCXIL-CABCVRRESA-N 2 2 380.330 3.099 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000534579511 567814642 /nfs/dbraw/zinc/81/46/42/567814642.db2.gz SHPLHGQGXUQEDU-GFCCVEGCSA-N 2 2 388.269 3.222 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)C1 ZINC000534579511 567814644 /nfs/dbraw/zinc/81/46/44/567814644.db2.gz SHPLHGQGXUQEDU-GFCCVEGCSA-N 2 2 388.269 3.222 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)c1ccnc(-n2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000048246341 570222690 /nfs/dbraw/zinc/22/26/90/570222690.db2.gz PLWGDQDMYBRTMV-FQEVSTJZSA-N 2 2 393.491 3.089 20 0 GGADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000020942151 570285737 /nfs/dbraw/zinc/28/57/37/570285737.db2.gz GXDTVFXOVVLSLA-JOCHJYFZSA-N 2 2 399.579 3.147 20 0 GGADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@@H]1CCCc2ccccc21 ZINC000020942151 570285739 /nfs/dbraw/zinc/28/57/39/570285739.db2.gz GXDTVFXOVVLSLA-JOCHJYFZSA-N 2 2 399.579 3.147 20 0 GGADLP C[N@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCc2ccccc21 ZINC000020942155 570285758 /nfs/dbraw/zinc/28/57/58/570285758.db2.gz GXDTVFXOVVLSLA-QFIPXVFZSA-N 2 2 399.579 3.147 20 0 GGADLP C[N@@H+](CC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCc2ccccc21 ZINC000020942155 570285759 /nfs/dbraw/zinc/28/57/59/570285759.db2.gz GXDTVFXOVVLSLA-QFIPXVFZSA-N 2 2 399.579 3.147 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)c1 ZINC000023717679 570370156 /nfs/dbraw/zinc/37/01/56/570370156.db2.gz TYXUECYFVCKMFU-OAQYLSRUSA-N 2 2 396.535 3.252 20 0 GGADLP C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245452114 570436162 /nfs/dbraw/zinc/43/61/62/570436162.db2.gz QBLSRVOHPFEDCH-AZUAARDMSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245452114 570436164 /nfs/dbraw/zinc/43/61/64/570436164.db2.gz QBLSRVOHPFEDCH-AZUAARDMSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccccc1F)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245452114 570436166 /nfs/dbraw/zinc/43/61/66/570436166.db2.gz QBLSRVOHPFEDCH-AZUAARDMSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@@H](C(=O)NCc1ccccc1F)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245452114 570436169 /nfs/dbraw/zinc/43/61/69/570436169.db2.gz QBLSRVOHPFEDCH-AZUAARDMSA-N 2 2 383.511 3.284 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000097164300 570901257 /nfs/dbraw/zinc/90/12/57/570901257.db2.gz USTUINYZBNOTHL-SJLPKXTDSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000097164300 570901260 /nfs/dbraw/zinc/90/12/60/570901260.db2.gz USTUINYZBNOTHL-SJLPKXTDSA-N 2 2 381.948 3.314 20 0 GGADLP C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000044735653 570976895 /nfs/dbraw/zinc/97/68/95/570976895.db2.gz QMMOIWKZAJGVAS-INIZCTEOSA-N 2 2 386.927 3.411 20 0 GGADLP c1cn(-c2ccc(C[NH2+]CCSCc3ccccc3-c3nn[nH]n3)cc2)c[nH+]1 ZINC000738420979 598362909 /nfs/dbraw/zinc/36/29/09/598362909.db2.gz AMDLVNRLVZWXFV-UHFFFAOYSA-N 2 2 391.504 3.075 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000820648501 599479769 /nfs/dbraw/zinc/47/97/69/599479769.db2.gz ATDKOENFFIBHCD-HOTGVXAUSA-N 2 2 379.512 3.007 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2c(C)cccc12)c1ccco1 ZINC000821181310 599500995 /nfs/dbraw/zinc/50/09/95/599500995.db2.gz LUIZXLXUUWZHEF-KRWDZBQOSA-N 2 2 391.479 3.233 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820570053 607481872 /nfs/dbraw/zinc/48/18/72/607481872.db2.gz CIGCZAPIXSHSIW-OAHLLOKOSA-N 2 2 380.471 3.321 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000820655335 607068071 /nfs/dbraw/zinc/06/80/71/607068071.db2.gz ASOXVODUZPXHOD-JXFKEZNVSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000820655335 607068072 /nfs/dbraw/zinc/06/80/72/607068072.db2.gz ASOXVODUZPXHOD-JXFKEZNVSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CC[NH+]1Cc1ccccc1 ZINC000820655335 607068073 /nfs/dbraw/zinc/06/80/73/607068073.db2.gz ASOXVODUZPXHOD-JXFKEZNVSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2-c2nn[nH]n2)CC[NH+]1Cc1ccccc1 ZINC000820655335 607068074 /nfs/dbraw/zinc/06/80/74/607068074.db2.gz ASOXVODUZPXHOD-JXFKEZNVSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824984650 608283905 /nfs/dbraw/zinc/28/39/05/608283905.db2.gz LRJWICKIAJSYTP-YWZLYKJASA-N 2 2 380.471 3.006 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000824984650 608283906 /nfs/dbraw/zinc/28/39/06/608283906.db2.gz LRJWICKIAJSYTP-YWZLYKJASA-N 2 2 380.471 3.006 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3nn[nH]n3)cs2)CC[N@@H+]1Cc1ccccc1 ZINC000824884009 608693063 /nfs/dbraw/zinc/69/30/63/608693063.db2.gz KOODOKHHUKRPMK-QAPCUYQASA-N 2 2 382.537 3.413 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-c3nn[nH]n3)cs2)CC[N@H+]1Cc1ccccc1 ZINC000824884009 608693064 /nfs/dbraw/zinc/69/30/64/608693064.db2.gz KOODOKHHUKRPMK-QAPCUYQASA-N 2 2 382.537 3.413 20 0 GGADLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-c3nn[nH]n3)cs2)CC[NH+]1Cc1ccccc1 ZINC000824884009 608693065 /nfs/dbraw/zinc/69/30/65/608693065.db2.gz KOODOKHHUKRPMK-QAPCUYQASA-N 2 2 382.537 3.413 20 0 GGADLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-c3nn[nH]n3)cs2)CC[NH+]1Cc1ccccc1 ZINC000824884009 608693067 /nfs/dbraw/zinc/69/30/67/608693067.db2.gz KOODOKHHUKRPMK-QAPCUYQASA-N 2 2 382.537 3.413 20 0 GGADLP Fc1cccc(C2([NH2+]C3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)CC2)c1 ZINC000826376631 609239237 /nfs/dbraw/zinc/23/92/37/609239237.db2.gz LUPMNNYQPPNFLD-UHFFFAOYSA-N 2 2 392.482 3.249 20 0 GGADLP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824236219 609255675 /nfs/dbraw/zinc/25/56/75/609255675.db2.gz NEYGFRRXVFXYJI-NHCUHLMSSA-N 2 2 398.555 3.014 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824593316 609324475 /nfs/dbraw/zinc/32/44/75/609324475.db2.gz QLXVPZJSAXCENK-OAHLLOKOSA-N 2 2 380.471 3.105 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824593316 609324477 /nfs/dbraw/zinc/32/44/77/609324477.db2.gz QLXVPZJSAXCENK-OAHLLOKOSA-N 2 2 380.471 3.105 20 0 GGADLP COc1cc(-c2nn[nH]n2)ccc1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000826169989 609422934 /nfs/dbraw/zinc/42/29/34/609422934.db2.gz LKTDVXLYKTVEDW-CQSZACIVSA-N 2 2 389.463 3.220 20 0 GGADLP C[C@@H](c1cc(F)ccc1F)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053127025 1406302073 /nfs/dbraw/zinc/30/20/73/1406302073.db2.gz ZIBPPIGYRWFAAQ-INIZCTEOSA-N 2 2 388.462 3.092 20 0 GGADLP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053127025 1406302090 /nfs/dbraw/zinc/30/20/90/1406302090.db2.gz ZIBPPIGYRWFAAQ-INIZCTEOSA-N 2 2 388.462 3.092 20 0 GGADLP C[C@@H](c1ccccc1Cl)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053236004 1406338249 /nfs/dbraw/zinc/33/82/49/1406338249.db2.gz HSBHWBYKIRTALX-KRWDZBQOSA-N 2 2 386.927 3.467 20 0 GGADLP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053236004 1406338263 /nfs/dbraw/zinc/33/82/63/1406338263.db2.gz HSBHWBYKIRTALX-KRWDZBQOSA-N 2 2 386.927 3.467 20 0 GGADLP CC1CC[NH+]([C@H](CNC(=O)NCCCn2cc[nH+]c2)c2cccs2)CC1 ZINC000054042347 1406601870 /nfs/dbraw/zinc/60/18/70/1406601870.db2.gz FXLDKTFIWRXSCT-QGZVFWFLSA-N 2 2 375.542 3.107 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054727690 1406815141 /nfs/dbraw/zinc/81/51/41/1406815141.db2.gz UFBIDAIOPVLWLG-KDURUIRLSA-N 2 2 397.567 3.487 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054727690 1406815143 /nfs/dbraw/zinc/81/51/43/1406815143.db2.gz UFBIDAIOPVLWLG-KDURUIRLSA-N 2 2 397.567 3.487 20 0 GGADLP CC(C)[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000008003463 1398788877 /nfs/dbraw/zinc/78/88/77/1398788877.db2.gz IMJDRFNFRPNSGN-QHCPKHFHSA-N 2 2 381.520 3.444 20 0 GGADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000024240730 1399614775 /nfs/dbraw/zinc/61/47/75/1399614775.db2.gz FLMKYMQRKHFIJU-HSZRJFAPSA-N 2 2 377.532 3.340 20 0 GGADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCc2ccccc21 ZINC000024240730 1399614783 /nfs/dbraw/zinc/61/47/83/1399614783.db2.gz FLMKYMQRKHFIJU-HSZRJFAPSA-N 2 2 377.532 3.340 20 0 GGADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCc2ccccc21 ZINC000024240736 1399615205 /nfs/dbraw/zinc/61/52/05/1399615205.db2.gz FLMKYMQRKHFIJU-QHCPKHFHSA-N 2 2 377.532 3.340 20 0 GGADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCc2ccccc21 ZINC000024240736 1399615212 /nfs/dbraw/zinc/61/52/12/1399615212.db2.gz FLMKYMQRKHFIJU-QHCPKHFHSA-N 2 2 377.532 3.340 20 0 GGADLP COc1ccccc1C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026190704 1399868149 /nfs/dbraw/zinc/86/81/49/1399868149.db2.gz FJPVNRHSJCIDIA-LJQANCHMSA-N 2 2 395.547 3.296 20 0 GGADLP COc1ccccc1C[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000026190704 1399868153 /nfs/dbraw/zinc/86/81/53/1399868153.db2.gz FJPVNRHSJCIDIA-LJQANCHMSA-N 2 2 395.547 3.296 20 0 GGADLP C[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000026855381 1399942241 /nfs/dbraw/zinc/94/22/41/1399942241.db2.gz BTNQKBGDWYJENR-INIZCTEOSA-N 2 2 387.911 3.462 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000028175716 1400136536 /nfs/dbraw/zinc/13/65/36/1400136536.db2.gz OGWWAGSOSNYDEY-QGZVFWFLSA-N 2 2 383.561 3.276 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000028175716 1400136543 /nfs/dbraw/zinc/13/65/43/1400136543.db2.gz OGWWAGSOSNYDEY-QGZVFWFLSA-N 2 2 383.561 3.276 20 0 GGADLP CC(C)[C@@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000029198094 1400257164 /nfs/dbraw/zinc/25/71/64/1400257164.db2.gz BCCCGDKVJLCDNS-XMMPIXPASA-N 2 2 395.547 3.122 20 0 GGADLP COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000030006196 1400397383 /nfs/dbraw/zinc/39/73/83/1400397383.db2.gz QEPKHJWUECSJSK-FQEVSTJZSA-N 2 2 395.547 3.341 20 0 GGADLP COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000030006196 1400397389 /nfs/dbraw/zinc/39/73/89/1400397389.db2.gz QEPKHJWUECSJSK-FQEVSTJZSA-N 2 2 395.547 3.341 20 0 GGADLP Cc1cccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000055910077 1407132151 /nfs/dbraw/zinc/13/21/51/1407132151.db2.gz DKTPADMRAWKKBL-OAQYLSRUSA-N 2 2 378.520 3.266 20 0 GGADLP Cc1cccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000055910077 1407132163 /nfs/dbraw/zinc/13/21/63/1407132163.db2.gz DKTPADMRAWKKBL-OAQYLSRUSA-N 2 2 378.520 3.266 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056516513 1407350909 /nfs/dbraw/zinc/35/09/09/1407350909.db2.gz HNZAWGCHNHNSLT-UHFFFAOYSA-N 2 2 389.503 3.336 20 0 GGADLP COc1ccc([C@H](CNC(=O)NCCCNc2cccc[nH+]2)[NH+]2CCCC2)cc1 ZINC000043111072 1403710285 /nfs/dbraw/zinc/71/02/85/1403710285.db2.gz QWQQFDCHVBUCFM-FQEVSTJZSA-N 2 2 397.523 3.029 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043547377 1403783785 /nfs/dbraw/zinc/78/37/85/1403783785.db2.gz GYUMZMXXJITMIA-OAHLLOKOSA-N 2 2 379.574 3.369 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043547377 1403783793 /nfs/dbraw/zinc/78/37/93/1403783793.db2.gz GYUMZMXXJITMIA-OAHLLOKOSA-N 2 2 379.574 3.369 20 0 GGADLP C[NH+](C)C1(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CCCCCC1 ZINC000043781109 1403815984 /nfs/dbraw/zinc/81/59/84/1403815984.db2.gz KPWYBDKQGSMSDI-UHFFFAOYSA-N 2 2 383.540 3.385 20 0 GGADLP O=C(CC[NH+]1CCC(Cc2ccccc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000044849290 1404011340 /nfs/dbraw/zinc/01/13/40/1404011340.db2.gz PJWXTJRRZRAMMR-UHFFFAOYSA-N 2 2 392.547 3.075 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000045410405 1404117007 /nfs/dbraw/zinc/11/70/07/1404117007.db2.gz WHRKJIMZIYGLHO-IRXDYDNUSA-N 2 2 386.540 3.044 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000045491109 1404131615 /nfs/dbraw/zinc/13/16/15/1404131615.db2.gz YNILOATXODDIRD-RTBURBONSA-N 2 2 387.572 3.239 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000045606278 1404158399 /nfs/dbraw/zinc/15/83/99/1404158399.db2.gz ZBJZPBQWXAHUJP-SFHVURJKSA-N 2 2 383.521 3.095 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000045658564 1404170892 /nfs/dbraw/zinc/17/08/92/1404170892.db2.gz PVYOXXQUMFUSJK-HXUWFJFHSA-N 2 2 386.565 3.187 20 0 GGADLP C[N@H+](CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)Cc1ccccc1 ZINC000045864920 1404228605 /nfs/dbraw/zinc/22/86/05/1404228605.db2.gz WAXBCBDGVZKYGN-UHFFFAOYSA-N 2 2 381.524 3.003 20 0 GGADLP C[N@@H+](CCCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)Cc1ccccc1 ZINC000045864920 1404228616 /nfs/dbraw/zinc/22/86/16/1404228616.db2.gz WAXBCBDGVZKYGN-UHFFFAOYSA-N 2 2 381.524 3.003 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000046019585 1404273686 /nfs/dbraw/zinc/27/36/86/1404273686.db2.gz IKRFDYQPJOUEHN-BGYRXZFFSA-N 2 2 397.567 3.489 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000046019585 1404273697 /nfs/dbraw/zinc/27/36/97/1404273697.db2.gz IKRFDYQPJOUEHN-BGYRXZFFSA-N 2 2 397.567 3.489 20 0 GGADLP CC1CC[NH+](CCNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000046369919 1404387621 /nfs/dbraw/zinc/38/76/21/1404387621.db2.gz NQCSRHCLHWSOKV-RTBURBONSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046751688 1404577490 /nfs/dbraw/zinc/57/74/90/1404577490.db2.gz CLJSBCYFSQBZPQ-IBGZPJMESA-N 2 2 383.540 3.243 20 0 GGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046751688 1404577498 /nfs/dbraw/zinc/57/74/98/1404577498.db2.gz CLJSBCYFSQBZPQ-IBGZPJMESA-N 2 2 383.540 3.243 20 0 GGADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000046892696 1404625435 /nfs/dbraw/zinc/62/54/35/1404625435.db2.gz ARJXLDLCPHWEHP-UHFFFAOYSA-N 2 2 398.576 3.024 20 0 GGADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[NH+](Cc2cccs2)CC1 ZINC000046892696 1404625447 /nfs/dbraw/zinc/62/54/47/1404625447.db2.gz ARJXLDLCPHWEHP-UHFFFAOYSA-N 2 2 398.576 3.024 20 0 GGADLP CC[NH+]1CCN(c2ccc(NC(=O)NCCCNc3cccc[nH+]3)c(C)c2)CC1 ZINC000046944388 1404646112 /nfs/dbraw/zinc/64/61/12/1404646112.db2.gz ZAFGZUWSELWOPY-UHFFFAOYSA-N 2 2 396.539 3.156 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)NCCCNc3cccc[nH+]3)CC2)cc1 ZINC000046945094 1404646769 /nfs/dbraw/zinc/64/67/69/1404646769.db2.gz XATQGUUUPPFYPA-UHFFFAOYSA-N 2 2 381.524 3.110 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCNc3cccc[nH+]3)CC2)cc1 ZINC000046945094 1404646780 /nfs/dbraw/zinc/64/67/80/1404646780.db2.gz XATQGUUUPPFYPA-UHFFFAOYSA-N 2 2 381.524 3.110 20 0 GGADLP O=C(NCCNc1cccc[nH+]1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000047501318 1404852954 /nfs/dbraw/zinc/85/29/54/1404852954.db2.gz IDXUHDFAEAZCFW-GOSISDBHSA-N 2 2 387.915 3.283 20 0 GGADLP O=C(NCCNc1cccc[nH+]1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000047501320 1404852984 /nfs/dbraw/zinc/85/29/84/1404852984.db2.gz IDXUHDFAEAZCFW-SFHVURJKSA-N 2 2 387.915 3.283 20 0 GGADLP Cc1c2cc(Cl)ccc2oc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000047676026 1404891499 /nfs/dbraw/zinc/89/14/99/1404891499.db2.gz NFEINZOWUZUZRY-UHFFFAOYSA-N 2 2 377.916 3.493 20 0 GGADLP Cc1c2cc(Cl)ccc2oc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000047676026 1404891500 /nfs/dbraw/zinc/89/15/00/1404891500.db2.gz NFEINZOWUZUZRY-UHFFFAOYSA-N 2 2 377.916 3.493 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)Cn1cc[nH+]c1)c1ccccc1Cl ZINC000047927289 1405000077 /nfs/dbraw/zinc/00/00/77/1405000077.db2.gz SGNKOSOTMZLKDX-CRAIPNDOSA-N 2 2 377.920 3.307 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000047935845 1405002713 /nfs/dbraw/zinc/00/27/13/1405002713.db2.gz KLNJYWZKGDDSRZ-NRFANRHFSA-N 2 2 395.482 3.173 20 0 GGADLP CCc1ccc([C@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[NH+](C)C)cc1 ZINC000047937735 1405003931 /nfs/dbraw/zinc/00/39/31/1405003931.db2.gz ZHKDZBPIPFUURC-NRFANRHFSA-N 2 2 395.551 3.346 20 0 GGADLP CCc1ccc([C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)[NH+](C)C)cc1 ZINC000047937734 1405004354 /nfs/dbraw/zinc/00/43/54/1405004354.db2.gz ZHKDZBPIPFUURC-OAQYLSRUSA-N 2 2 395.551 3.346 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000047949382 1405008151 /nfs/dbraw/zinc/00/81/51/1405008151.db2.gz UGVIXBLFSVPVID-NRFANRHFSA-N 2 2 393.535 3.318 20 0 GGADLP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000047960133 1405010289 /nfs/dbraw/zinc/01/02/89/1405010289.db2.gz ROCWZSGBELLHTG-HXUWFJFHSA-N 2 2 395.547 3.136 20 0 GGADLP Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000047960133 1405010300 /nfs/dbraw/zinc/01/03/00/1405010300.db2.gz ROCWZSGBELLHTG-HXUWFJFHSA-N 2 2 395.547 3.136 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964780 1405012232 /nfs/dbraw/zinc/01/22/32/1405012232.db2.gz NKTFBTCVORNPPA-QFIPXVFZSA-N 2 2 389.503 3.005 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047964780 1405012241 /nfs/dbraw/zinc/01/22/41/1405012241.db2.gz NKTFBTCVORNPPA-QFIPXVFZSA-N 2 2 389.503 3.005 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000047988697 1405020032 /nfs/dbraw/zinc/02/00/32/1405020032.db2.gz YAUQEMHBGZAVGD-YJBOKZPZSA-N 2 2 375.904 3.061 20 0 GGADLP CC[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1C ZINC000048059076 1405037644 /nfs/dbraw/zinc/03/76/44/1405037644.db2.gz VYHUZGIMRYVMQN-UHFFFAOYSA-N 2 2 381.520 3.288 20 0 GGADLP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccccc1C ZINC000048059076 1405037652 /nfs/dbraw/zinc/03/76/52/1405037652.db2.gz VYHUZGIMRYVMQN-UHFFFAOYSA-N 2 2 381.520 3.288 20 0 GGADLP C[NH+](C)C1(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCCCCC1 ZINC000048066389 1405040772 /nfs/dbraw/zinc/04/07/72/1405040772.db2.gz MVOJUSZQGUWHGQ-UHFFFAOYSA-N 2 2 383.540 3.385 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000048507476 1405211873 /nfs/dbraw/zinc/21/18/73/1405211873.db2.gz WGFZHSAPMVHTEZ-BGYRXZFFSA-N 2 2 397.567 3.141 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000048507476 1405211879 /nfs/dbraw/zinc/21/18/79/1405211879.db2.gz WGFZHSAPMVHTEZ-BGYRXZFFSA-N 2 2 397.567 3.141 20 0 GGADLP COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000048713608 1405266162 /nfs/dbraw/zinc/26/61/62/1405266162.db2.gz PDOSEJBARUWOJE-UHFFFAOYSA-N 2 2 387.911 3.026 20 0 GGADLP COc1cc2c(cc1C[NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)O[C@H](C)C2 ZINC000048745591 1405280058 /nfs/dbraw/zinc/28/00/58/1405280058.db2.gz QLIWMFYXGDXVCG-QGZVFWFLSA-N 2 2 382.504 3.141 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccsc1 ZINC000048965582 1405329146 /nfs/dbraw/zinc/32/91/46/1405329146.db2.gz NEIQTQKPHXFHRD-LJQANCHMSA-N 2 2 383.521 3.095 20 0 GGADLP CC(C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCC(C)CC1 ZINC000048965279 1405329249 /nfs/dbraw/zinc/32/92/49/1405329249.db2.gz RKHHBPJIMXVPJY-JOCHJYFZSA-N 2 2 397.567 3.487 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000049021738 1405333669 /nfs/dbraw/zinc/33/36/69/1405333669.db2.gz FFXOFRQLFZZGDY-OTWHNJEPSA-N 2 2 383.540 3.249 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000049021738 1405333677 /nfs/dbraw/zinc/33/36/77/1405333677.db2.gz FFXOFRQLFZZGDY-OTWHNJEPSA-N 2 2 383.540 3.249 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)NCCCNc1cccc[nH+]1)[NH+]1CCCC1 ZINC000049790108 1405417126 /nfs/dbraw/zinc/41/71/26/1405417126.db2.gz DHTHNAPHRROYJV-LJQANCHMSA-N 2 2 397.523 3.029 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)NCCCNc1cccc[nH+]1)[NH+]1CCCC1 ZINC000049790109 1405418403 /nfs/dbraw/zinc/41/84/03/1405418403.db2.gz DHTHNAPHRROYJV-IBGZPJMESA-N 2 2 397.523 3.029 20 0 GGADLP C[NH+](C)Cc1ccccc1NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1 ZINC000050030450 1405458285 /nfs/dbraw/zinc/45/82/85/1405458285.db2.gz BUFWDFJAVMLMIR-UHFFFAOYSA-N 2 2 391.475 3.226 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=S)Nc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000050254780 1405533277 /nfs/dbraw/zinc/53/32/77/1405533277.db2.gz ZXPTYQTVASDIFF-UHFFFAOYSA-N 2 2 384.952 3.324 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)c1C ZINC000050770006 1405649119 /nfs/dbraw/zinc/64/91/19/1405649119.db2.gz FLRFLPZJFBSJPZ-GOSISDBHSA-N 2 2 385.483 3.375 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1C ZINC000050770006 1405649135 /nfs/dbraw/zinc/64/91/35/1405649135.db2.gz FLRFLPZJFBSJPZ-GOSISDBHSA-N 2 2 385.483 3.375 20 0 GGADLP C[C@H](Sc1ccccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797596 1405654911 /nfs/dbraw/zinc/65/49/11/1405654911.db2.gz DXVXKYZHTZWHHJ-HNNXBMFYSA-N 2 2 396.000 3.495 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)CC1 ZINC000050797757 1405655201 /nfs/dbraw/zinc/65/52/01/1405655201.db2.gz GVGLFHWSPZSBOP-IAGOWNOFSA-N 2 2 375.479 3.030 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000050797433 1405655533 /nfs/dbraw/zinc/65/55/33/1405655533.db2.gz RHIDEVFAHVVADM-PMACEKPBSA-N 2 2 375.944 3.118 20 0 GGADLP Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050797719 1405655653 /nfs/dbraw/zinc/65/56/53/1405655653.db2.gz ZEKDKPLEESHLAB-INIZCTEOSA-N 2 2 393.959 3.091 20 0 GGADLP Cc1ccc(Cl)c(O[C@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050797721 1405655778 /nfs/dbraw/zinc/65/57/78/1405655778.db2.gz ZEKDKPLEESHLAB-MRXNPFEDSA-N 2 2 393.959 3.091 20 0 GGADLP Cc1cc(O[C@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000050797683 1405656528 /nfs/dbraw/zinc/65/65/28/1405656528.db2.gz SOBILGRMMPEZEE-MRXNPFEDSA-N 2 2 393.959 3.091 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4cccc(Cl)c4)CCC3)CC2)CC1 ZINC000050799277 1405656974 /nfs/dbraw/zinc/65/69/74/1405656974.db2.gz RMOVLDJIDLNXRI-UHFFFAOYSA-N 2 2 389.971 3.437 20 0 GGADLP Cc1ccc(C(C)C)c(OCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050800097 1405657563 /nfs/dbraw/zinc/65/75/63/1405657563.db2.gz YBLXFWNUJZCYMW-UHFFFAOYSA-N 2 2 387.568 3.172 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000050798840 1405658099 /nfs/dbraw/zinc/65/80/99/1405658099.db2.gz AVHREJOZDFFZOG-UHFFFAOYSA-N 2 2 386.927 3.177 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccccc3Cl)CC2)CC1 ZINC000050800002 1405658365 /nfs/dbraw/zinc/65/83/65/1405658365.db2.gz MQVIZEVMORRNGE-RBUKOAKNSA-N 2 2 375.944 3.118 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C4CC4)nc4ccccc43)CC2)CC1 ZINC000050801170 1405658865 /nfs/dbraw/zinc/65/88/65/1405658865.db2.gz LGUUWDXZKDSYFB-UHFFFAOYSA-N 2 2 392.547 3.401 20 0 GGADLP Cc1ccc(S[C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801523 1405659170 /nfs/dbraw/zinc/65/91/70/1405659170.db2.gz WQRLWTQYVBNKFI-KRWDZBQOSA-N 2 2 375.582 3.150 20 0 GGADLP C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050803104 1405659662 /nfs/dbraw/zinc/65/96/62/1405659662.db2.gz DQENOIJBBTVRTG-HNNXBMFYSA-N 2 2 396.000 3.495 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000050802186 1405659731 /nfs/dbraw/zinc/65/97/31/1405659731.db2.gz NFMCQFFGJOEGCL-UHFFFAOYSA-N 2 2 391.559 3.493 20 0 GGADLP C[C@@H]1CCc2sc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2C1 ZINC000050801106 1405659916 /nfs/dbraw/zinc/65/99/16/1405659916.db2.gz IYRVACJZKNRLTK-OAHLLOKOSA-N 2 2 375.582 3.161 20 0 GGADLP Cc1ccc(S[C@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801526 1405660402 /nfs/dbraw/zinc/66/04/02/1405660402.db2.gz WQRLWTQYVBNKFI-QGZVFWFLSA-N 2 2 375.582 3.150 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc4c5c([nH]c43)CCCC5)CC2)CC1 ZINC000050801381 1405660442 /nfs/dbraw/zinc/66/04/42/1405660442.db2.gz KPFCWLKLIGYKMU-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP Cc1cc2nc(NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c3ccccc3n2n1 ZINC000050954516 1405689521 /nfs/dbraw/zinc/68/95/21/1405689521.db2.gz ARULCBCKJJUXDJ-UHFFFAOYSA-N 2 2 378.524 3.161 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(Nc3nn4cc(-c5ccccc5)nc4s3)CC2)CC1 ZINC000050954436 1405690118 /nfs/dbraw/zinc/69/01/18/1405690118.db2.gz BRFLJRYSDUPYSC-UHFFFAOYSA-N 2 2 396.564 3.428 20 0 GGADLP O=C(C[NH+]1CCCC1)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000051126480 1405727373 /nfs/dbraw/zinc/72/73/73/1405727373.db2.gz XDPGOVNRSNTQRO-UHFFFAOYSA-N 2 2 392.547 3.039 20 0 GGADLP O=C(C[NH+]1CCCC1)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000051126480 1405727381 /nfs/dbraw/zinc/72/73/81/1405727381.db2.gz XDPGOVNRSNTQRO-UHFFFAOYSA-N 2 2 392.547 3.039 20 0 GGADLP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)c1 ZINC000051187950 1405740166 /nfs/dbraw/zinc/74/01/66/1405740166.db2.gz FHSRYWAYIVDLTI-SFHVURJKSA-N 2 2 386.492 3.042 20 0 GGADLP O=C(Nc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1)c1ccccc1Cl ZINC000051187999 1405740825 /nfs/dbraw/zinc/74/08/25/1405740825.db2.gz QJEYTZYZYVDBOT-GOSISDBHSA-N 2 2 387.911 3.139 20 0 GGADLP CC(C)c1ccc(CCNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000051239126 1405752336 /nfs/dbraw/zinc/75/23/36/1405752336.db2.gz DLUJYFDPDVPYOQ-UHFFFAOYSA-N 2 2 386.584 3.210 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1C ZINC000051333918 1405786516 /nfs/dbraw/zinc/78/65/16/1405786516.db2.gz KQKABPLRKQIDOZ-UHFFFAOYSA-N 2 2 396.535 3.433 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)c1C ZINC000051333918 1405786529 /nfs/dbraw/zinc/78/65/29/1405786529.db2.gz KQKABPLRKQIDOZ-UHFFFAOYSA-N 2 2 396.535 3.433 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(N3CC[NH+](C)CC3)c(C)c2)c1C ZINC000051587058 1405835408 /nfs/dbraw/zinc/83/54/08/1405835408.db2.gz ZTQZQOXWTMFWEZ-UHFFFAOYSA-N 2 2 397.523 3.089 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000051758620 1405860473 /nfs/dbraw/zinc/86/04/73/1405860473.db2.gz NIDICQMZSKIXOP-UXHICEINSA-N 2 2 378.605 3.449 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@H]3C(C)(C)C)CC2)CC1 ZINC000051758623 1405860562 /nfs/dbraw/zinc/86/05/62/1405860562.db2.gz NIDICQMZSKIXOP-WOJBJXKFSA-N 2 2 378.605 3.449 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(c4ccccc4)CCCC3)CC2)CC1 ZINC000051759044 1405860655 /nfs/dbraw/zinc/86/06/55/1405860655.db2.gz FETBQJHIOWRLFI-UHFFFAOYSA-N 2 2 398.595 3.356 20 0 GGADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc2ccccc2o1 ZINC000051759368 1405860855 /nfs/dbraw/zinc/86/08/55/1405860855.db2.gz CFXXXULGPATUJU-MRXNPFEDSA-N 2 2 384.524 3.352 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3ccc4ccccc4c3)CC2)CC1 ZINC000051760148 1405860995 /nfs/dbraw/zinc/86/09/95/1405860995.db2.gz RYZGMDAVBBVRPB-UHFFFAOYSA-N 2 2 394.563 3.240 20 0 GGADLP CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)c1ccc(F)cc1 ZINC000051761397 1405861059 /nfs/dbraw/zinc/86/10/59/1405861059.db2.gz ZHNJDMRJRTUJLP-QGZVFWFLSA-N 2 2 390.547 3.477 20 0 GGADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1csc2ccccc12 ZINC000052806160 1406178116 /nfs/dbraw/zinc/17/81/16/1406178116.db2.gz NOQRFWYGLNFUMO-KRWDZBQOSA-N 2 2 394.544 3.465 20 0 GGADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1csc2ccccc12 ZINC000052806160 1406178127 /nfs/dbraw/zinc/17/81/27/1406178127.db2.gz NOQRFWYGLNFUMO-KRWDZBQOSA-N 2 2 394.544 3.465 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000056894925 1407468465 /nfs/dbraw/zinc/46/84/65/1407468465.db2.gz PLEJYVQEQGHRGO-UHFFFAOYSA-N 2 2 389.503 3.290 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000056894925 1407468471 /nfs/dbraw/zinc/46/84/71/1407468471.db2.gz PLEJYVQEQGHRGO-UHFFFAOYSA-N 2 2 389.503 3.290 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000056894377 1407468509 /nfs/dbraw/zinc/46/85/09/1407468509.db2.gz ZVXHCKZJDZNHJQ-HXUWFJFHSA-N 2 2 393.491 3.492 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000056895416 1407468916 /nfs/dbraw/zinc/46/89/16/1407468916.db2.gz IPLZOCWLLGVIIB-RTBURBONSA-N 2 2 383.540 3.430 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000056895585 1407469107 /nfs/dbraw/zinc/46/91/07/1407469107.db2.gz KEDXDSUOSJLWTH-UHFFFAOYSA-N 2 2 399.564 3.033 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)NCCNc1cccc[nH+]1)[NH+]1CCCCC1 ZINC000056933696 1407476906 /nfs/dbraw/zinc/47/69/06/1407476906.db2.gz CLWPLKAPSBXWOJ-IBGZPJMESA-N 2 2 397.523 3.029 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)C1 ZINC000057376545 1407600356 /nfs/dbraw/zinc/60/03/56/1407600356.db2.gz JUWOHGWWRBHNQX-LJQANCHMSA-N 2 2 383.540 3.395 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)C1 ZINC000057376545 1407600363 /nfs/dbraw/zinc/60/03/63/1407600363.db2.gz JUWOHGWWRBHNQX-LJQANCHMSA-N 2 2 383.540 3.395 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000057607030 1407663093 /nfs/dbraw/zinc/66/30/93/1407663093.db2.gz SCOXQZNWMGQGKA-IBGZPJMESA-N 2 2 384.524 3.021 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1C ZINC000057607061 1407664536 /nfs/dbraw/zinc/66/45/36/1407664536.db2.gz TZGOKCYAFAWORS-LJQANCHMSA-N 2 2 388.487 3.290 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c1C ZINC000057612683 1407666005 /nfs/dbraw/zinc/66/60/05/1407666005.db2.gz HLXWPHHUZAVEGX-UHFFFAOYSA-N 2 2 396.535 3.297 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[N@H+]2CCc3ccccc3C2)c1C ZINC000057612683 1407666008 /nfs/dbraw/zinc/66/60/08/1407666008.db2.gz HLXWPHHUZAVEGX-UHFFFAOYSA-N 2 2 396.535 3.297 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1C ZINC000057613224 1407666971 /nfs/dbraw/zinc/66/69/71/1407666971.db2.gz VTXIEHPFZXXKDO-INIZCTEOSA-N 2 2 376.545 3.361 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1C ZINC000057613224 1407666980 /nfs/dbraw/zinc/66/69/80/1407666980.db2.gz VTXIEHPFZXXKDO-INIZCTEOSA-N 2 2 376.545 3.361 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000057618696 1407668839 /nfs/dbraw/zinc/66/88/39/1407668839.db2.gz XECGGXXPBCSLKI-YQQAZPJKSA-N 2 2 376.545 3.215 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057784959 1407715623 /nfs/dbraw/zinc/71/56/23/1407715623.db2.gz PZOJEECSHWOWJQ-OAQYLSRUSA-N 2 2 393.535 3.146 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057784959 1407715630 /nfs/dbraw/zinc/71/56/30/1407715630.db2.gz PZOJEECSHWOWJQ-OAQYLSRUSA-N 2 2 393.535 3.146 20 0 GGADLP CC(C)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000057783499 1407715700 /nfs/dbraw/zinc/71/57/00/1407715700.db2.gz LNEOJQFHSVBXMB-FQEVSTJZSA-N 2 2 387.572 3.238 20 0 GGADLP C[C@H]1CCC[C@@](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)([NH+](C)C)C1 ZINC000057819900 1407728923 /nfs/dbraw/zinc/72/89/23/1407728923.db2.gz BDLZEBKJEOKINI-PGRDOPGGSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058808166 1407883997 /nfs/dbraw/zinc/88/39/97/1407883997.db2.gz SZWIDWLJXWIKSH-SVFBPWRDSA-N 2 2 389.609 3.261 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058808166 1407883999 /nfs/dbraw/zinc/88/39/99/1407883999.db2.gz SZWIDWLJXWIKSH-SVFBPWRDSA-N 2 2 389.609 3.261 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C1CCCCC1 ZINC000058806139 1407884283 /nfs/dbraw/zinc/88/42/83/1407884283.db2.gz OBITVHKHJBWQHC-LEWJYISDSA-N 2 2 389.609 3.403 20 0 GGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368429 1407962684 /nfs/dbraw/zinc/96/26/84/1407962684.db2.gz PVRMKBJGZGSHIM-XHSDSOJGSA-N 2 2 395.494 3.113 20 0 GGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000060368429 1407962689 /nfs/dbraw/zinc/96/26/89/1407962689.db2.gz PVRMKBJGZGSHIM-XHSDSOJGSA-N 2 2 395.494 3.113 20 0 GGADLP O=C(NCCNc1cccc[nH+]1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000060566751 1408003554 /nfs/dbraw/zinc/00/35/54/1408003554.db2.gz WPURBKKXWHVPLX-UHFFFAOYSA-N 2 2 381.524 3.369 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCCNc3cccc[nH+]3)cc2)C1 ZINC000060857683 1408043522 /nfs/dbraw/zinc/04/35/22/1408043522.db2.gz OUMIDGFUBHXEGV-OALUTQOASA-N 2 2 395.551 3.471 20 0 GGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(OC)cc3OC)cc2)CC1 ZINC000061070128 1408073656 /nfs/dbraw/zinc/07/36/56/1408073656.db2.gz MBCDXKNBVVWXIR-UHFFFAOYSA-N 2 2 383.536 3.131 20 0 GGADLP C[NH+](C)CCNC(=S)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000061247972 1408097138 /nfs/dbraw/zinc/09/71/38/1408097138.db2.gz FFRBRZTVMJANAN-UHFFFAOYSA-N 2 2 397.951 3.004 20 0 GGADLP C[C@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)Cn1cc[nH+]c1 ZINC000062254315 1408224808 /nfs/dbraw/zinc/22/48/08/1408224808.db2.gz BXQIHRGGSLCWOU-CYBMUJFWSA-N 2 2 380.286 3.233 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000062502914 1408270502 /nfs/dbraw/zinc/27/05/02/1408270502.db2.gz PUQAPUKPOGMFCS-UHFFFAOYSA-N 2 2 395.482 3.285 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000062657817 1408287790 /nfs/dbraw/zinc/28/77/90/1408287790.db2.gz DGINIXRXGZRXAC-NRFANRHFSA-N 2 2 377.492 3.283 20 0 GGADLP O=C(NC1CC[NH+](CC2CCCC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000063333805 1408339435 /nfs/dbraw/zinc/33/94/35/1408339435.db2.gz GDGMIAAUTZWMNR-UHFFFAOYSA-N 2 2 390.597 3.230 20 0 GGADLP COC(=O)COc1c(C)cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1C ZINC000063912808 1408443814 /nfs/dbraw/zinc/44/38/14/1408443814.db2.gz KCHVKPRFEKGURF-UHFFFAOYSA-N 2 2 393.487 3.390 20 0 GGADLP COC(=O)COc1c(C)cc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1C ZINC000063916285 1408445022 /nfs/dbraw/zinc/44/50/22/1408445022.db2.gz KSBLRBYTFCHCCK-UHFFFAOYSA-N 2 2 379.460 3.331 20 0 GGADLP CC(C)Oc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000065013980 1408636031 /nfs/dbraw/zinc/63/60/31/1408636031.db2.gz NXQHTDGRHQFCGO-UHFFFAOYSA-N 2 2 384.520 3.475 20 0 GGADLP FC(F)Oc1ccccc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000065014220 1408636339 /nfs/dbraw/zinc/63/63/39/1408636339.db2.gz RCVYERMQPMOTMR-UHFFFAOYSA-N 2 2 392.446 3.289 20 0 GGADLP CC[C@@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)[N@@H+]1CCc2ccccc2C1 ZINC000065304209 1408660342 /nfs/dbraw/zinc/66/03/42/1408660342.db2.gz TWUDYYYKKHCUAC-FQEVSTJZSA-N 2 2 396.535 3.343 20 0 GGADLP CC[C@@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)[N@H+]1CCc2ccccc2C1 ZINC000065304209 1408660344 /nfs/dbraw/zinc/66/03/44/1408660344.db2.gz TWUDYYYKKHCUAC-FQEVSTJZSA-N 2 2 396.535 3.343 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCCCC2)c1C ZINC000065388344 1408664833 /nfs/dbraw/zinc/66/48/33/1408664833.db2.gz MOEARHXUCSVIHT-LJQANCHMSA-N 2 2 376.545 3.407 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065444892 1408669913 /nfs/dbraw/zinc/66/99/13/1408669913.db2.gz FYFZYODBPFIIPD-UHFFFAOYSA-N 2 2 395.551 3.339 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065460743 1408672918 /nfs/dbraw/zinc/67/29/18/1408672918.db2.gz FRPZKTARKNSZBK-UHFFFAOYSA-N 2 2 381.524 3.280 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000065469177 1408673248 /nfs/dbraw/zinc/67/32/48/1408673248.db2.gz HNWDFVZYERPTRH-QFIPXVFZSA-N 2 2 391.519 3.342 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000065523929 1408683586 /nfs/dbraw/zinc/68/35/86/1408683586.db2.gz ZFXQAGZWPUCNFT-KDURUIRLSA-N 2 2 397.567 3.487 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000065523929 1408683593 /nfs/dbraw/zinc/68/35/93/1408683593.db2.gz ZFXQAGZWPUCNFT-KDURUIRLSA-N 2 2 397.567 3.487 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000065541572 1408686459 /nfs/dbraw/zinc/68/64/59/1408686459.db2.gz DLCHACISYZGTOS-FQEVSTJZSA-N 2 2 388.943 3.374 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccccc1Cl ZINC000065541572 1408686463 /nfs/dbraw/zinc/68/64/63/1408686463.db2.gz DLCHACISYZGTOS-FQEVSTJZSA-N 2 2 388.943 3.374 20 0 GGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000065549668 1408687811 /nfs/dbraw/zinc/68/78/11/1408687811.db2.gz AZOJNRQRYIAFIA-QGZVFWFLSA-N 2 2 378.586 3.086 20 0 GGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000065549668 1408687815 /nfs/dbraw/zinc/68/78/15/1408687815.db2.gz AZOJNRQRYIAFIA-QGZVFWFLSA-N 2 2 378.586 3.086 20 0 GGADLP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066202966 1408789807 /nfs/dbraw/zinc/78/98/07/1408789807.db2.gz ILOJSPYAZQJDOF-OKZBNKHCSA-N 2 2 376.545 3.148 20 0 GGADLP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066202966 1408789811 /nfs/dbraw/zinc/78/98/11/1408789811.db2.gz ILOJSPYAZQJDOF-OKZBNKHCSA-N 2 2 376.545 3.148 20 0 GGADLP CC[C@H](C)[NH+](C)CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066202966 1408789817 /nfs/dbraw/zinc/78/98/17/1408789817.db2.gz ILOJSPYAZQJDOF-OKZBNKHCSA-N 2 2 376.545 3.148 20 0 GGADLP CC[C@H](C)[NH+](C)CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000066202966 1408789820 /nfs/dbraw/zinc/78/98/20/1408789820.db2.gz ILOJSPYAZQJDOF-OKZBNKHCSA-N 2 2 376.545 3.148 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3nc4ccccc4s3)CC2)CC1 ZINC000066568322 1408858584 /nfs/dbraw/zinc/85/85/84/1408858584.db2.gz SOTKOSNMBFAQNK-UHFFFAOYSA-N 2 2 386.565 3.063 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000066568403 1408859089 /nfs/dbraw/zinc/85/90/89/1408859089.db2.gz WOGXXEKBQSSWML-UHFFFAOYSA-N 2 2 381.923 3.245 20 0 GGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000066597290 1408863334 /nfs/dbraw/zinc/86/33/34/1408863334.db2.gz NTVHYELMXIYFFF-OAQYLSRUSA-N 2 2 383.540 3.385 20 0 GGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000066597290 1408863339 /nfs/dbraw/zinc/86/33/39/1408863339.db2.gz NTVHYELMXIYFFF-OAQYLSRUSA-N 2 2 383.540 3.385 20 0 GGADLP C[C@@H](C[N@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000066853365 1408932072 /nfs/dbraw/zinc/93/20/72/1408932072.db2.gz JBIBQVGWARBTFC-IBGZPJMESA-N 2 2 381.520 3.193 20 0 GGADLP C[C@@H](C[N@@H+](C)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000066853365 1408932074 /nfs/dbraw/zinc/93/20/74/1408932074.db2.gz JBIBQVGWARBTFC-IBGZPJMESA-N 2 2 381.520 3.193 20 0 GGADLP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000176552747 1428361270 /nfs/dbraw/zinc/36/12/70/1428361270.db2.gz CZYMFDLMAFAQNK-RTBURBONSA-N 2 2 390.572 3.347 20 0 GGADLP C[N@H+](CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000066889724 1408942225 /nfs/dbraw/zinc/94/22/25/1408942225.db2.gz CQMGIUYJNJKRAQ-UHFFFAOYSA-N 2 2 377.492 3.194 20 0 GGADLP C[N@@H+](CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000066889724 1408942230 /nfs/dbraw/zinc/94/22/30/1408942230.db2.gz CQMGIUYJNJKRAQ-UHFFFAOYSA-N 2 2 377.492 3.194 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000066890748 1408942968 /nfs/dbraw/zinc/94/29/68/1408942968.db2.gz ZLCLTKOPOJAIBJ-FQEVSTJZSA-N 2 2 381.455 3.114 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000066891225 1408943184 /nfs/dbraw/zinc/94/31/84/1408943184.db2.gz WIZLLNMGQIJFQV-UHFFFAOYSA-N 2 2 389.503 3.468 20 0 GGADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985822 1408972805 /nfs/dbraw/zinc/97/28/05/1408972805.db2.gz BRRZCLDTENUKSL-UHFFFAOYSA-N 2 2 377.492 3.146 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000066986630 1408973561 /nfs/dbraw/zinc/97/35/61/1408973561.db2.gz WUGROZRSWQLVMI-RTBURBONSA-N 2 2 383.540 3.430 20 0 GGADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[NH+]1Cc2ccccc2C1 ZINC000067066543 1408998841 /nfs/dbraw/zinc/99/88/41/1408998841.db2.gz LXDDRKUXYXRYPM-UHFFFAOYSA-N 2 2 380.536 3.296 20 0 GGADLP CCOc1c(Br)cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc1OC ZINC000067500538 1409139407 /nfs/dbraw/zinc/13/94/07/1409139407.db2.gz XBZWMPSGKZYLKN-ZDUSSCGKSA-N 2 2 382.302 3.479 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccs1 ZINC000067588981 1409177628 /nfs/dbraw/zinc/17/76/28/1409177628.db2.gz VYSNMDPBOKZXNA-KRWDZBQOSA-N 2 2 387.484 3.175 20 0 GGADLP CC1CC[NH+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000067645808 1409194859 /nfs/dbraw/zinc/19/48/59/1409194859.db2.gz WCZVIABSWNXAIF-UHFFFAOYSA-N 2 2 387.503 3.323 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000067708901 1409211745 /nfs/dbraw/zinc/21/17/45/1409211745.db2.gz OFNSYGQFMBWZPG-RBUKOAKNSA-N 2 2 389.590 3.257 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000067708902 1409211920 /nfs/dbraw/zinc/21/19/20/1409211920.db2.gz OFNSYGQFMBWZPG-RTBURBONSA-N 2 2 389.590 3.257 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1ccco1 ZINC000067709137 1409212541 /nfs/dbraw/zinc/21/25/41/1409212541.db2.gz OPRVTJNTEQHRIO-FQEVSTJZSA-N 2 2 395.507 3.407 20 0 GGADLP Cc1ccc(C)c(OCCCCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000067861375 1409246177 /nfs/dbraw/zinc/24/61/77/1409246177.db2.gz VMBYICKLZWIGIJ-UHFFFAOYSA-N 2 2 389.584 3.337 20 0 GGADLP Cc1ccc(C)c(OCCCCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000067861375 1409246180 /nfs/dbraw/zinc/24/61/80/1409246180.db2.gz VMBYICKLZWIGIJ-UHFFFAOYSA-N 2 2 389.584 3.337 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000068128974 1409310044 /nfs/dbraw/zinc/31/00/44/1409310044.db2.gz TVVQUMCLCFSEDG-UHFFFAOYSA-N 2 2 390.528 3.047 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000068128974 1409310046 /nfs/dbraw/zinc/31/00/46/1409310046.db2.gz TVVQUMCLCFSEDG-UHFFFAOYSA-N 2 2 390.528 3.047 20 0 GGADLP CC[NH+](CC)CCOc1ccc(C(=O)NCC[NH+]2Cc3ccccc3C2)cc1 ZINC000068252547 1409339397 /nfs/dbraw/zinc/33/93/97/1409339397.db2.gz PKFPUWQPSGCCEF-UHFFFAOYSA-N 2 2 381.520 3.153 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC[NH+]3Cc4ccccc4C3)cc2)C[C@@H](C)O1 ZINC000068254618 1409340172 /nfs/dbraw/zinc/34/01/72/1409340172.db2.gz KZMGEMPAUCWLCD-RTBURBONSA-N 2 2 393.531 3.041 20 0 GGADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000068406160 1409392947 /nfs/dbraw/zinc/39/29/47/1409392947.db2.gz CMOUYMSEWWSJSJ-UHFFFAOYSA-N 2 2 387.572 3.106 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000068562155 1409439385 /nfs/dbraw/zinc/43/93/85/1409439385.db2.gz GLBBVNDXGQCIQW-OAHLLOKOSA-N 2 2 397.445 3.064 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000068636354 1409452949 /nfs/dbraw/zinc/45/29/49/1409452949.db2.gz JWEFAOYOFJJJRJ-UHFFFAOYSA-N 2 2 384.568 3.300 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000068639847 1409453575 /nfs/dbraw/zinc/45/35/75/1409453575.db2.gz CNUBQKKFVNVXJY-IBGZPJMESA-N 2 2 384.549 3.200 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069008106 1409542793 /nfs/dbraw/zinc/54/27/93/1409542793.db2.gz QHLYQCWCOVMNCH-QFIPXVFZSA-N 2 2 379.504 3.122 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069008106 1409542795 /nfs/dbraw/zinc/54/27/95/1409542795.db2.gz QHLYQCWCOVMNCH-QFIPXVFZSA-N 2 2 379.504 3.122 20 0 GGADLP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000069029149 1409546971 /nfs/dbraw/zinc/54/69/71/1409546971.db2.gz PBRNQFYEAVZRBI-KRWDZBQOSA-N 2 2 393.959 3.328 20 0 GGADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(-c2ccccc2)cc1 ZINC000069029368 1409547647 /nfs/dbraw/zinc/54/76/47/1409547647.db2.gz XEPPIDAALFVXKT-UHFFFAOYSA-N 2 2 393.531 3.336 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000069078429 1409559430 /nfs/dbraw/zinc/55/94/30/1409559430.db2.gz SMGTZRRBQMYDGJ-HXUWFJFHSA-N 2 2 397.567 3.306 20 0 GGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069171174 1409580100 /nfs/dbraw/zinc/58/01/00/1409580100.db2.gz KXYJGOHOJIYAJJ-DEOSSOPVSA-N 2 2 389.547 3.259 20 0 GGADLP COc1cc2c(cc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)O[C@H](C)C2 ZINC000069171090 1409580141 /nfs/dbraw/zinc/58/01/41/1409580141.db2.gz FPSCXYQELYADKA-XMSQKQJNSA-N 2 2 395.547 3.097 20 0 GGADLP COc1cc2c(cc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)O[C@@H](C)C2 ZINC000069171088 1409580395 /nfs/dbraw/zinc/58/03/95/1409580395.db2.gz FPSCXYQELYADKA-AVRDEDQJSA-N 2 2 395.547 3.097 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)c1C ZINC000069631825 1409666232 /nfs/dbraw/zinc/66/62/32/1409666232.db2.gz QLOQTZXMSHSLAX-IBGZPJMESA-N 2 2 376.545 3.359 20 0 GGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccccc3Br)cc2)CC1 ZINC000069785286 1409698870 /nfs/dbraw/zinc/69/88/70/1409698870.db2.gz PQCJURRQNJOJFR-UHFFFAOYSA-N 2 2 388.353 3.486 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3Br)cc2)CC1 ZINC000069785286 1409698873 /nfs/dbraw/zinc/69/88/73/1409698873.db2.gz PQCJURRQNJOJFR-UHFFFAOYSA-N 2 2 388.353 3.486 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1 ZINC000069973729 1409733202 /nfs/dbraw/zinc/73/32/02/1409733202.db2.gz KXFDSBHDGGONPI-RTWAWAEBSA-N 2 2 383.561 3.196 20 0 GGADLP O=C(CCn1cc[nH+]c1)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000070880190 1409797039 /nfs/dbraw/zinc/79/70/39/1409797039.db2.gz ZQNHNFVMFLETQZ-UHFFFAOYSA-N 2 2 389.503 3.234 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718242 1409852579 /nfs/dbraw/zinc/85/25/79/1409852579.db2.gz OPRJRUWOIPTMBL-RBUKOAKNSA-N 2 2 382.552 3.023 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000072718242 1409852580 /nfs/dbraw/zinc/85/25/80/1409852580.db2.gz OPRJRUWOIPTMBL-RBUKOAKNSA-N 2 2 382.552 3.023 20 0 GGADLP CC[N@@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867865 1409854238 /nfs/dbraw/zinc/85/42/38/1409854238.db2.gz JBAWMSVJCIQKBX-GOSISDBHSA-N 2 2 384.568 3.409 20 0 GGADLP CC[N@H+](CC(=O)N([C@H](C)C1CC1)C1CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000072867865 1409854240 /nfs/dbraw/zinc/85/42/40/1409854240.db2.gz JBAWMSVJCIQKBX-GOSISDBHSA-N 2 2 384.568 3.409 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868822 1409854408 /nfs/dbraw/zinc/85/44/08/1409854408.db2.gz XBCYVFUUSDQYKQ-REWPJTCUSA-N 2 2 379.548 3.487 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868822 1409854409 /nfs/dbraw/zinc/85/44/09/1409854409.db2.gz XBCYVFUUSDQYKQ-REWPJTCUSA-N 2 2 379.548 3.487 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868822 1409854411 /nfs/dbraw/zinc/85/44/11/1409854411.db2.gz XBCYVFUUSDQYKQ-REWPJTCUSA-N 2 2 379.548 3.487 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868822 1409854412 /nfs/dbraw/zinc/85/44/12/1409854412.db2.gz XBCYVFUUSDQYKQ-REWPJTCUSA-N 2 2 379.548 3.487 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000073881792 1409866669 /nfs/dbraw/zinc/86/66/69/1409866669.db2.gz QXVOBOVGRYNBPD-GOSISDBHSA-N 2 2 375.561 3.060 20 0 GGADLP Cc1ccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000075820317 1409883086 /nfs/dbraw/zinc/88/30/86/1409883086.db2.gz KRVSOIIRGZTMRE-QHCPKHFHSA-N 2 2 376.504 3.344 20 0 GGADLP CC1(C)CC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC(C)(C)[NH2+]1 ZINC000075987873 1409884079 /nfs/dbraw/zinc/88/40/79/1409884079.db2.gz GOAVOCYDSDTUIB-SFHVURJKSA-N 2 2 375.582 3.202 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccsc1 ZINC000076057476 1409884856 /nfs/dbraw/zinc/88/48/56/1409884856.db2.gz ATCNGBKIGIQOOU-NVXWUHKLSA-N 2 2 375.542 3.443 20 0 GGADLP CC[N@@H+](CC(=O)NCc1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108600 1409885379 /nfs/dbraw/zinc/88/53/79/1409885379.db2.gz DHPOUDLSZPRFTD-UHFFFAOYSA-N 2 2 380.536 3.245 20 0 GGADLP CC[N@H+](CC(=O)NCc1ccc(C)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108600 1409885381 /nfs/dbraw/zinc/88/53/81/1409885381.db2.gz DHPOUDLSZPRFTD-UHFFFAOYSA-N 2 2 380.536 3.245 20 0 GGADLP CC[N@@H+](CC(=O)N1CCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108663 1409885449 /nfs/dbraw/zinc/88/54/49/1409885449.db2.gz CJKSUPQMWFINPR-UHFFFAOYSA-N 2 2 378.520 3.209 20 0 GGADLP CC[N@H+](CC(=O)N1CCc2ccccc21)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108663 1409885451 /nfs/dbraw/zinc/88/54/51/1409885451.db2.gz CJKSUPQMWFINPR-UHFFFAOYSA-N 2 2 378.520 3.209 20 0 GGADLP CC[C@H](C)Oc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000077202645 1409894544 /nfs/dbraw/zinc/89/45/44/1409894544.db2.gz AGQNDQJXAFJFAI-KRWDZBQOSA-N 2 2 376.545 3.354 20 0 GGADLP CC[C@H](C)Oc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000077202645 1409894546 /nfs/dbraw/zinc/89/45/46/1409894546.db2.gz AGQNDQJXAFJFAI-KRWDZBQOSA-N 2 2 376.545 3.354 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000080490337 1410006486 /nfs/dbraw/zinc/00/64/86/1410006486.db2.gz OZXKYKFCOUHFKZ-MSOLQXFVSA-N 2 2 375.513 3.271 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000080490337 1410006499 /nfs/dbraw/zinc/00/64/99/1410006499.db2.gz OZXKYKFCOUHFKZ-MSOLQXFVSA-N 2 2 375.513 3.271 20 0 GGADLP C[N@H+](CCC(=O)NCC1CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080983942 1410014064 /nfs/dbraw/zinc/01/40/64/1410014064.db2.gz RRQSZGDRWSONFD-UHFFFAOYSA-N 2 2 386.584 3.107 20 0 GGADLP C[N@@H+](CCC(=O)NCC1CCCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080983942 1410014072 /nfs/dbraw/zinc/01/40/72/1410014072.db2.gz RRQSZGDRWSONFD-UHFFFAOYSA-N 2 2 386.584 3.107 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000084763869 1410038677 /nfs/dbraw/zinc/03/86/77/1410038677.db2.gz CUSJJVAQCJRLTQ-UHFFFAOYSA-N 2 2 379.976 3.393 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)Cc1cccc(Cl)c1 ZINC000084763869 1410038684 /nfs/dbraw/zinc/03/86/84/1410038684.db2.gz CUSJJVAQCJRLTQ-UHFFFAOYSA-N 2 2 379.976 3.393 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000089263012 1410053259 /nfs/dbraw/zinc/05/32/59/1410053259.db2.gz GGYCDDZATCKDJO-LJQANCHMSA-N 2 2 377.532 3.095 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)c2)CCO1 ZINC000091058059 1410068971 /nfs/dbraw/zinc/06/89/71/1410068971.db2.gz RUIHUXSTMWJXHL-LJQANCHMSA-N 2 2 376.504 3.383 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)c2)CCO1 ZINC000091058059 1410068977 /nfs/dbraw/zinc/06/89/77/1410068977.db2.gz RUIHUXSTMWJXHL-LJQANCHMSA-N 2 2 376.504 3.383 20 0 GGADLP Cc1ccccc1[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C1CC1 ZINC000091313946 1410072217 /nfs/dbraw/zinc/07/22/17/1410072217.db2.gz VGCVOIXSVQUMIF-QHCPKHFHSA-N 2 2 378.520 3.170 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccccn2)CC1 ZINC000091701928 1410076383 /nfs/dbraw/zinc/07/63/83/1410076383.db2.gz CASMMTWIXRYJNW-LJQANCHMSA-N 2 2 380.536 3.164 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccccn2)CC1 ZINC000091701928 1410076392 /nfs/dbraw/zinc/07/63/92/1410076392.db2.gz CASMMTWIXRYJNW-LJQANCHMSA-N 2 2 380.536 3.164 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000091703621 1410077408 /nfs/dbraw/zinc/07/74/08/1410077408.db2.gz FIBNANADXMZWPY-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000091703621 1410077411 /nfs/dbraw/zinc/07/74/11/1410077411.db2.gz FIBNANADXMZWPY-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2ccccn2)CC1 ZINC000091703621 1410077420 /nfs/dbraw/zinc/07/74/20/1410077420.db2.gz FIBNANADXMZWPY-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2ccccn2)CC1 ZINC000091703621 1410077425 /nfs/dbraw/zinc/07/74/25/1410077425.db2.gz FIBNANADXMZWPY-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1[nH+]cc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)n1-c1ccccc1 ZINC000092505416 1410163319 /nfs/dbraw/zinc/16/33/19/1410163319.db2.gz MUSKLWNXQLEVDY-UHFFFAOYSA-N 2 2 396.457 3.267 20 0 GGADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1Br ZINC000092565150 1410173294 /nfs/dbraw/zinc/17/32/94/1410173294.db2.gz UEHWEBZXEVGKFM-OLZOCXBDSA-N 2 2 391.256 3.003 20 0 GGADLP FC(F)Oc1ccc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1Br ZINC000092565150 1410173303 /nfs/dbraw/zinc/17/33/03/1410173303.db2.gz UEHWEBZXEVGKFM-OLZOCXBDSA-N 2 2 391.256 3.003 20 0 GGADLP C[N@H+](Cc1cccc(-n2cccn2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645147 1410182425 /nfs/dbraw/zinc/18/24/25/1410182425.db2.gz PENIKCUOPQRCJX-UHFFFAOYSA-N 2 2 375.520 3.406 20 0 GGADLP C[N@@H+](Cc1cccc(-n2cccn2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645147 1410182431 /nfs/dbraw/zinc/18/24/31/1410182431.db2.gz PENIKCUOPQRCJX-UHFFFAOYSA-N 2 2 375.520 3.406 20 0 GGADLP COCCOc1cccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000092645178 1410182631 /nfs/dbraw/zinc/18/26/31/1410182631.db2.gz NUESPCDSHAUMLT-UHFFFAOYSA-N 2 2 383.536 3.246 20 0 GGADLP COCCOc1cccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000092645178 1410182634 /nfs/dbraw/zinc/18/26/34/1410182634.db2.gz NUESPCDSHAUMLT-UHFFFAOYSA-N 2 2 383.536 3.246 20 0 GGADLP COCOc1ccc(OC)cc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645323 1410182878 /nfs/dbraw/zinc/18/28/78/1410182878.db2.gz RJPBKLMNAHICSW-UHFFFAOYSA-N 2 2 399.535 3.212 20 0 GGADLP COCOc1ccc(OC)cc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645323 1410182892 /nfs/dbraw/zinc/18/28/92/1410182892.db2.gz RJPBKLMNAHICSW-UHFFFAOYSA-N 2 2 399.535 3.212 20 0 GGADLP Cn1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000092648336 1410184039 /nfs/dbraw/zinc/18/40/39/1410184039.db2.gz ASAUMOJSTCEEPP-UHFFFAOYSA-N 2 2 393.491 3.282 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1OC ZINC000092666218 1410186062 /nfs/dbraw/zinc/18/60/62/1410186062.db2.gz CCYOBNMIAVTUNC-RTBURBONSA-N 2 2 375.557 3.084 20 0 GGADLP COc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000092668930 1410187203 /nfs/dbraw/zinc/18/72/03/1410187203.db2.gz ZQIIDQGQTOVXBQ-FQEVSTJZSA-N 2 2 380.536 3.124 20 0 GGADLP COc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000092668930 1410187207 /nfs/dbraw/zinc/18/72/07/1410187207.db2.gz ZQIIDQGQTOVXBQ-FQEVSTJZSA-N 2 2 380.536 3.124 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000092812798 1410203359 /nfs/dbraw/zinc/20/33/59/1410203359.db2.gz QCNWLBZKYRSXMQ-HXUWFJFHSA-N 3 2 379.552 3.158 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)CC1 ZINC000092812798 1410203368 /nfs/dbraw/zinc/20/33/68/1410203368.db2.gz QCNWLBZKYRSXMQ-HXUWFJFHSA-N 3 2 379.552 3.158 20 0 GGADLP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncn(-c2ccccc2)n1 ZINC000092821070 1410204241 /nfs/dbraw/zinc/20/42/41/1410204241.db2.gz XFUMOEVRCQBVEU-UHFFFAOYSA-N 2 2 376.508 3.401 20 0 GGADLP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncn(-c2ccccc2)n1 ZINC000092821070 1410204248 /nfs/dbraw/zinc/20/42/48/1410204248.db2.gz XFUMOEVRCQBVEU-UHFFFAOYSA-N 2 2 376.508 3.401 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CC(F)(F)F)c3ccc(F)cc3)cn2)CC1 ZINC000092850521 1410204950 /nfs/dbraw/zinc/20/49/50/1410204950.db2.gz SBSHBFZWTONFJD-QGZVFWFLSA-N 2 2 397.420 3.151 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336869 1410236438 /nfs/dbraw/zinc/23/64/38/1410236438.db2.gz ALIYGUKGYXMSJO-NRFANRHFSA-N 2 2 398.551 3.017 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1C ZINC000093336869 1410236444 /nfs/dbraw/zinc/23/64/44/1410236444.db2.gz ALIYGUKGYXMSJO-NRFANRHFSA-N 2 2 398.551 3.017 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000093336869 1410236448 /nfs/dbraw/zinc/23/64/48/1410236448.db2.gz ALIYGUKGYXMSJO-NRFANRHFSA-N 2 2 398.551 3.017 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000093336869 1410236453 /nfs/dbraw/zinc/23/64/53/1410236453.db2.gz ALIYGUKGYXMSJO-NRFANRHFSA-N 2 2 398.551 3.017 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000093395055 1410243778 /nfs/dbraw/zinc/24/37/78/1410243778.db2.gz OJDOLXBMTCTBIP-UHFFFAOYSA-N 2 2 378.520 3.304 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000093395055 1410243786 /nfs/dbraw/zinc/24/37/86/1410243786.db2.gz OJDOLXBMTCTBIP-UHFFFAOYSA-N 2 2 378.520 3.304 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000093394772 1410243928 /nfs/dbraw/zinc/24/39/28/1410243928.db2.gz JLOVACYNRIDTCQ-UHFFFAOYSA-N 2 2 396.457 3.170 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000093394772 1410243930 /nfs/dbraw/zinc/24/39/30/1410243930.db2.gz JLOVACYNRIDTCQ-UHFFFAOYSA-N 2 2 396.457 3.170 20 0 GGADLP C[C@@H](N1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1)C(F)(F)F ZINC000093883219 1410279573 /nfs/dbraw/zinc/27/95/73/1410279573.db2.gz ZEWLNVUGBWEDQW-QGZVFWFLSA-N 2 2 398.517 3.285 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000176804357 1428470654 /nfs/dbraw/zinc/47/06/54/1428470654.db2.gz TVHBCPXJBGFBRU-DENIHFKCSA-N 2 2 392.547 3.386 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000176804357 1428470662 /nfs/dbraw/zinc/47/06/62/1428470662.db2.gz TVHBCPXJBGFBRU-DENIHFKCSA-N 2 2 392.547 3.386 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1N(C)C ZINC000093943152 1410287951 /nfs/dbraw/zinc/28/79/51/1410287951.db2.gz SJMJBRCYPQCVGC-LJQANCHMSA-N 2 2 383.536 3.314 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cc2ccccc2)ccc1O ZINC000094134796 1410306959 /nfs/dbraw/zinc/30/69/59/1410306959.db2.gz YCYSUEXDEHLQSJ-UHFFFAOYSA-N 2 2 395.547 3.081 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cc2ccccc2)ccc1O ZINC000094134796 1410306965 /nfs/dbraw/zinc/30/69/65/1410306965.db2.gz YCYSUEXDEHLQSJ-UHFFFAOYSA-N 2 2 395.547 3.081 20 0 GGADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000096627921 1410335002 /nfs/dbraw/zinc/33/50/02/1410335002.db2.gz GOMVLJKMKHVVFA-QFIPXVFZSA-N 2 2 393.531 3.370 20 0 GGADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000096627921 1410335009 /nfs/dbraw/zinc/33/50/09/1410335009.db2.gz GOMVLJKMKHVVFA-QFIPXVFZSA-N 2 2 393.531 3.370 20 0 GGADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000096627922 1410335181 /nfs/dbraw/zinc/33/51/81/1410335181.db2.gz GOMVLJKMKHVVFA-JOCHJYFZSA-N 2 2 393.531 3.370 20 0 GGADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000096627922 1410335187 /nfs/dbraw/zinc/33/51/87/1410335187.db2.gz GOMVLJKMKHVVFA-JOCHJYFZSA-N 2 2 393.531 3.370 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000098033617 1410399363 /nfs/dbraw/zinc/39/93/63/1410399363.db2.gz SMHOEEFFUGBPEL-OAQYLSRUSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000098033617 1410399371 /nfs/dbraw/zinc/39/93/71/1410399371.db2.gz SMHOEEFFUGBPEL-OAQYLSRUSA-N 2 2 389.503 3.336 20 0 GGADLP Cc1nc(-c2ccsc2)ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000101960895 1410531891 /nfs/dbraw/zinc/53/18/91/1410531891.db2.gz POEDMZGPNMFKEG-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1nc(-c2ccsc2)ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000101960895 1410531903 /nfs/dbraw/zinc/53/19/03/1410531903.db2.gz POEDMZGPNMFKEG-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1cccc(C(C)(C)CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000102009003 1410542969 /nfs/dbraw/zinc/54/29/69/1410542969.db2.gz BXXISWCHQBBPIO-UHFFFAOYSA-N 2 2 386.584 3.130 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1C ZINC000102037508 1410548258 /nfs/dbraw/zinc/54/82/58/1410548258.db2.gz RTYTWSHLASYJRB-GOSISDBHSA-N 2 2 386.496 3.245 20 0 GGADLP CC[N@H+](CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000102571528 1410653190 /nfs/dbraw/zinc/65/31/90/1410653190.db2.gz OWSDIMJDKIHPSC-HDICACEKSA-N 2 2 376.545 3.148 20 0 GGADLP CC[N@@H+](CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000102571528 1410653197 /nfs/dbraw/zinc/65/31/97/1410653197.db2.gz OWSDIMJDKIHPSC-HDICACEKSA-N 2 2 376.545 3.148 20 0 GGADLP CC[NH+](CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000102571528 1410653203 /nfs/dbraw/zinc/65/32/03/1410653203.db2.gz OWSDIMJDKIHPSC-HDICACEKSA-N 2 2 376.545 3.148 20 0 GGADLP CC[NH+](CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000102571528 1410653218 /nfs/dbraw/zinc/65/32/18/1410653218.db2.gz OWSDIMJDKIHPSC-HDICACEKSA-N 2 2 376.545 3.148 20 0 GGADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)c1ccccc1 ZINC000102807152 1410770630 /nfs/dbraw/zinc/77/06/30/1410770630.db2.gz ZFFLUYFXYONCJS-SFHVURJKSA-N 2 2 386.584 3.211 20 0 GGADLP Cc1ccccc1CC(C)(C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000102905276 1410805943 /nfs/dbraw/zinc/80/59/43/1410805943.db2.gz YDJOGJOTJLDABV-UHFFFAOYSA-N 2 2 386.584 3.174 20 0 GGADLP Fc1ccc(-n2cc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cn2)cc1 ZINC000102938690 1410810163 /nfs/dbraw/zinc/81/01/63/1410810163.db2.gz YFYLEOJWWJARTA-UHFFFAOYSA-N 2 2 380.467 3.133 20 0 GGADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)c1 ZINC000103113403 1410828915 /nfs/dbraw/zinc/82/89/15/1410828915.db2.gz DQSPJZIXSGPKFJ-UHFFFAOYSA-N 2 2 376.504 3.444 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCCC1 ZINC000103298654 1410844413 /nfs/dbraw/zinc/84/44/13/1410844413.db2.gz FTXSRAFIPVWJPI-HXUWFJFHSA-N 2 2 397.523 3.075 20 0 GGADLP CC(C)(CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000103307161 1410845360 /nfs/dbraw/zinc/84/53/60/1410845360.db2.gz CZXVIYZRTJCIPN-UHFFFAOYSA-N 2 2 381.524 3.067 20 0 GGADLP CC(C)(CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000103307161 1410845361 /nfs/dbraw/zinc/84/53/61/1410845361.db2.gz CZXVIYZRTJCIPN-UHFFFAOYSA-N 2 2 381.524 3.067 20 0 GGADLP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103308180 1410845771 /nfs/dbraw/zinc/84/57/71/1410845771.db2.gz IICWGDGMFRJBLL-UHFFFAOYSA-N 2 2 385.487 3.033 20 0 GGADLP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103311841 1410846009 /nfs/dbraw/zinc/84/60/09/1410846009.db2.gz GHCVJSQNQUDPAB-UHFFFAOYSA-N 2 2 387.553 3.203 20 0 GGADLP COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)[NH+](C)C)c1 ZINC000104155477 1410885858 /nfs/dbraw/zinc/88/58/58/1410885858.db2.gz QAPKWHKQAOMLBM-KRWDZBQOSA-N 2 2 376.888 3.387 20 0 GGADLP O=C(CC[NH2+][C@@H](c1ccccc1)C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000104697291 1410931275 /nfs/dbraw/zinc/93/12/75/1410931275.db2.gz ULOFJVQCAIXTBH-QHCPKHFHSA-N 2 2 378.520 3.251 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2)C[C@H](C)O1 ZINC000176938487 1428526534 /nfs/dbraw/zinc/52/65/34/1428526534.db2.gz LYUAOPRUZYNYLR-CALCHBBNSA-N 2 2 382.508 3.005 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2)C[C@H](C)O1 ZINC000176938487 1428526535 /nfs/dbraw/zinc/52/65/35/1428526535.db2.gz LYUAOPRUZYNYLR-CALCHBBNSA-N 2 2 382.508 3.005 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000105068814 1411024530 /nfs/dbraw/zinc/02/45/30/1411024530.db2.gz DWWPQORBDQKEOR-HXUWFJFHSA-N 2 2 381.524 3.410 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000105097860 1411028464 /nfs/dbraw/zinc/02/84/64/1411028464.db2.gz UWYLAVSYPYMWEG-UHFFFAOYSA-N 2 2 386.584 3.166 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000105097860 1411028473 /nfs/dbraw/zinc/02/84/73/1411028473.db2.gz UWYLAVSYPYMWEG-UHFFFAOYSA-N 2 2 386.584 3.166 20 0 GGADLP CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000105120198 1411032138 /nfs/dbraw/zinc/03/21/38/1411032138.db2.gz WSIWDHTVGAJCDP-IBGZPJMESA-N 2 2 380.964 3.459 20 0 GGADLP CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000105120198 1411032148 /nfs/dbraw/zinc/03/21/48/1411032148.db2.gz WSIWDHTVGAJCDP-IBGZPJMESA-N 2 2 380.964 3.459 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000105149947 1411035042 /nfs/dbraw/zinc/03/50/42/1411035042.db2.gz KMMIWIYSYWHGPC-HXUWFJFHSA-N 2 2 381.524 3.238 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000105149947 1411035051 /nfs/dbraw/zinc/03/50/51/1411035051.db2.gz KMMIWIYSYWHGPC-HXUWFJFHSA-N 2 2 381.524 3.238 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105221454 1411043949 /nfs/dbraw/zinc/04/39/49/1411043949.db2.gz QSLQBBDJGIGWMT-FQEVSTJZSA-N 2 2 390.572 3.204 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105221454 1411043957 /nfs/dbraw/zinc/04/39/57/1411043957.db2.gz QSLQBBDJGIGWMT-FQEVSTJZSA-N 2 2 390.572 3.204 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000105250403 1411046492 /nfs/dbraw/zinc/04/64/92/1411046492.db2.gz MKUVWMIQFHRSPB-NRFANRHFSA-N 2 2 390.547 3.334 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H](c1ccc(F)cc1)C1CCC1 ZINC000105250403 1411046499 /nfs/dbraw/zinc/04/64/99/1411046499.db2.gz MKUVWMIQFHRSPB-NRFANRHFSA-N 2 2 390.547 3.334 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000105250399 1411046898 /nfs/dbraw/zinc/04/68/98/1411046898.db2.gz MKUVWMIQFHRSPB-OAQYLSRUSA-N 2 2 390.547 3.334 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](c1ccc(F)cc1)C1CCC1 ZINC000105250399 1411046902 /nfs/dbraw/zinc/04/69/02/1411046902.db2.gz MKUVWMIQFHRSPB-OAQYLSRUSA-N 2 2 390.547 3.334 20 0 GGADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@@H+](C)CC34CCCCC4)CC2)cs1 ZINC000176993927 1428545013 /nfs/dbraw/zinc/54/50/13/1428545013.db2.gz ABSWZYREIUWELK-UHFFFAOYSA-N 2 2 390.597 3.140 20 0 GGADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[N@H+](C)CC34CCCCC4)CC2)cs1 ZINC000176993927 1428545022 /nfs/dbraw/zinc/54/50/22/1428545022.db2.gz ABSWZYREIUWELK-UHFFFAOYSA-N 2 2 390.597 3.140 20 0 GGADLP Cc1nc(C)c([C@@H](C)N(C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000106551028 1411243323 /nfs/dbraw/zinc/24/33/23/1411243323.db2.gz OKZRNYOVWSPXEY-OAHLLOKOSA-N 2 2 393.601 3.021 20 0 GGADLP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371589 1411366405 /nfs/dbraw/zinc/36/64/05/1411366405.db2.gz IDVIBODHVDBJEV-AABGKKOBSA-N 2 2 386.584 3.239 20 0 GGADLP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371589 1411366411 /nfs/dbraw/zinc/36/64/11/1411366411.db2.gz IDVIBODHVDBJEV-AABGKKOBSA-N 2 2 386.584 3.239 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3Cl)c2)C1 ZINC000108420625 1411496355 /nfs/dbraw/zinc/49/63/55/1411496355.db2.gz CAUUKJBBIXVTOH-QGZVFWFLSA-N 2 2 389.902 3.466 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3c(F)cccc3Cl)c2)C1 ZINC000108420625 1411496368 /nfs/dbraw/zinc/49/63/68/1411496368.db2.gz CAUUKJBBIXVTOH-QGZVFWFLSA-N 2 2 389.902 3.466 20 0 GGADLP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000108883793 1411630229 /nfs/dbraw/zinc/63/02/29/1411630229.db2.gz ZLLBAZVYCJHIIL-OAQYLSRUSA-N 2 2 397.567 3.428 20 0 GGADLP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000108883793 1411630249 /nfs/dbraw/zinc/63/02/49/1411630249.db2.gz ZLLBAZVYCJHIIL-OAQYLSRUSA-N 2 2 397.567 3.428 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2csc(-c3ccsc3)n2)nc[nH+]1 ZINC000109070241 1411675481 /nfs/dbraw/zinc/67/54/81/1411675481.db2.gz XWTBOZBJLWJYOR-HNNXBMFYSA-N 2 2 386.550 3.462 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(Br)c2)nc[nH+]1 ZINC000109070260 1411675500 /nfs/dbraw/zinc/67/55/00/1411675500.db2.gz DVIQQMNWTOLKAX-HNNXBMFYSA-N 2 2 376.302 3.039 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cccc(OCC(F)(F)F)c2)nc[nH+]1 ZINC000109070440 1411675660 /nfs/dbraw/zinc/67/56/60/1411675660.db2.gz IIVXLHXTLZOEQM-HNNXBMFYSA-N 2 2 395.429 3.218 20 0 GGADLP CCCOc1ccc(C[NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)cc1OC ZINC000109070027 1411675971 /nfs/dbraw/zinc/67/59/71/1411675971.db2.gz ZUKHWQVHBDRENK-QGZVFWFLSA-N 2 2 385.512 3.074 20 0 GGADLP CCCOc1cc(C[NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)ccc1OC ZINC000109070075 1411676283 /nfs/dbraw/zinc/67/62/83/1411676283.db2.gz LZOIUNFRTVPQJB-KRWDZBQOSA-N 2 2 385.512 3.074 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000109145465 1411694301 /nfs/dbraw/zinc/69/43/01/1411694301.db2.gz GDRMQHBQPXGPCV-NRFANRHFSA-N 2 2 381.520 3.080 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000109145465 1411694312 /nfs/dbraw/zinc/69/43/12/1411694312.db2.gz GDRMQHBQPXGPCV-NRFANRHFSA-N 2 2 381.520 3.080 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[NH+]3CCC(n4cc[nH+]c4)CC3)cc(=O)oc2c1 ZINC000109792813 1411810993 /nfs/dbraw/zinc/81/09/93/1411810993.db2.gz NLNGYXVYPGUEKF-UHFFFAOYSA-N 2 2 396.447 3.395 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1cccs1 ZINC000110069351 1411829378 /nfs/dbraw/zinc/82/93/78/1411829378.db2.gz IPQYYGCAOFEPIY-QGZVFWFLSA-N 2 2 399.520 3.448 20 0 GGADLP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000110153649 1411834723 /nfs/dbraw/zinc/83/47/23/1411834723.db2.gz VKLBMQUIXPRNHY-KNKQGSTJSA-N 2 2 387.568 3.397 20 0 GGADLP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccsc1 ZINC000110203123 1411837423 /nfs/dbraw/zinc/83/74/23/1411837423.db2.gz VQTGMAWDPXXBHO-FUHWJXTLSA-N 2 2 389.569 3.242 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000110212049 1411837985 /nfs/dbraw/zinc/83/79/85/1411837985.db2.gz KGEDUJNQOYOCPT-SFHVURJKSA-N 2 2 383.540 3.138 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000110212049 1411837986 /nfs/dbraw/zinc/83/79/86/1411837986.db2.gz KGEDUJNQOYOCPT-SFHVURJKSA-N 2 2 383.540 3.138 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000110212049 1411837988 /nfs/dbraw/zinc/83/79/88/1411837988.db2.gz KGEDUJNQOYOCPT-SFHVURJKSA-N 2 2 383.540 3.138 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000110212049 1411837991 /nfs/dbraw/zinc/83/79/91/1411837991.db2.gz KGEDUJNQOYOCPT-SFHVURJKSA-N 2 2 383.540 3.138 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)c1 ZINC000110232428 1411839251 /nfs/dbraw/zinc/83/92/51/1411839251.db2.gz QKDPUPBSKDWCNC-HXUWFJFHSA-N 2 2 383.540 3.139 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)c1 ZINC000110232428 1411839252 /nfs/dbraw/zinc/83/92/52/1411839252.db2.gz QKDPUPBSKDWCNC-HXUWFJFHSA-N 2 2 383.540 3.139 20 0 GGADLP CC[C@@H](Sc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000110674671 1411863456 /nfs/dbraw/zinc/86/34/56/1411863456.db2.gz SABILLHYAVIHMF-HXUWFJFHSA-N 2 2 375.582 3.232 20 0 GGADLP C[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000111476686 1411975559 /nfs/dbraw/zinc/97/55/59/1411975559.db2.gz OIPSMHATWKIPKJ-GOSISDBHSA-N 2 2 377.492 3.192 20 0 GGADLP C[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000111476686 1411975574 /nfs/dbraw/zinc/97/55/74/1411975574.db2.gz OIPSMHATWKIPKJ-GOSISDBHSA-N 2 2 377.492 3.192 20 0 GGADLP C[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000111478140 1411975773 /nfs/dbraw/zinc/97/57/73/1411975773.db2.gz IPTOTWRKDNWOFF-QGZVFWFLSA-N 2 2 395.482 3.331 20 0 GGADLP C[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000111478140 1411975776 /nfs/dbraw/zinc/97/57/76/1411975776.db2.gz IPTOTWRKDNWOFF-QGZVFWFLSA-N 2 2 395.482 3.331 20 0 GGADLP CC[N@H+](CCC(=O)Nc1cc(N)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000177174267 1428614201 /nfs/dbraw/zinc/61/42/01/1428614201.db2.gz VTTOTTUKYISCSC-UHFFFAOYSA-N 2 2 399.514 3.370 20 0 GGADLP CC[N@@H+](CCC(=O)Nc1cc(N)ccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000177174267 1428614204 /nfs/dbraw/zinc/61/42/04/1428614204.db2.gz VTTOTTUKYISCSC-UHFFFAOYSA-N 2 2 399.514 3.370 20 0 GGADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)[NH+](C)Cc1ccccc1 ZINC000111631148 1412003981 /nfs/dbraw/zinc/00/39/81/1412003981.db2.gz MHVHOLRNEUBBNQ-SIKLNZKXSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)[NH+](C)Cc1ccccc1 ZINC000111631148 1412003990 /nfs/dbraw/zinc/00/39/90/1412003990.db2.gz MHVHOLRNEUBBNQ-SIKLNZKXSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000111631148 1412004000 /nfs/dbraw/zinc/00/40/00/1412004000.db2.gz MHVHOLRNEUBBNQ-SIKLNZKXSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000111631148 1412004009 /nfs/dbraw/zinc/00/40/09/1412004009.db2.gz MHVHOLRNEUBBNQ-SIKLNZKXSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccnc1)[NH+](C)Cc1ccccc1 ZINC000111631145 1412004126 /nfs/dbraw/zinc/00/41/26/1412004126.db2.gz MHVHOLRNEUBBNQ-KNQAVFIVSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cccnc1)[NH+](C)Cc1ccccc1 ZINC000111631145 1412004136 /nfs/dbraw/zinc/00/41/36/1412004136.db2.gz MHVHOLRNEUBBNQ-KNQAVFIVSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000111631145 1412004141 /nfs/dbraw/zinc/00/41/41/1412004141.db2.gz MHVHOLRNEUBBNQ-KNQAVFIVSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000111631145 1412004147 /nfs/dbraw/zinc/00/41/47/1412004147.db2.gz MHVHOLRNEUBBNQ-KNQAVFIVSA-N 2 2 380.536 3.073 20 0 GGADLP CCS[C@H]1CCCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000112089846 1412074612 /nfs/dbraw/zinc/07/46/12/1412074612.db2.gz BLJKMQUWIJRFDS-FQEVSTJZSA-N 2 2 391.581 3.065 20 0 GGADLP CCS[C@H]1CCCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000112089846 1412074620 /nfs/dbraw/zinc/07/46/20/1412074620.db2.gz BLJKMQUWIJRFDS-FQEVSTJZSA-N 2 2 391.581 3.065 20 0 GGADLP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1ccccc1F ZINC000112366687 1412135839 /nfs/dbraw/zinc/13/58/39/1412135839.db2.gz SZAVKFOMLWTZON-OAQYLSRUSA-N 2 2 381.495 3.228 20 0 GGADLP C[NH+]1CCC([NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000177211419 1428634378 /nfs/dbraw/zinc/63/43/78/1428634378.db2.gz WIWJZQPCCAYJPE-UHFFFAOYSA-N 3 2 378.564 3.193 20 0 GGADLP C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)CC[N@H+](C)C4CC[NH+](C)CC4)cc3c2C1 ZINC000112921375 1412240756 /nfs/dbraw/zinc/24/07/56/1412240756.db2.gz AOWFVEMFBFVHEU-QGZVFWFLSA-N 2 2 396.579 3.391 20 0 GGADLP C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)CC[N@@H+](C)C4CC[NH+](C)CC4)cc3c2C1 ZINC000112921375 1412240767 /nfs/dbraw/zinc/24/07/67/1412240767.db2.gz AOWFVEMFBFVHEU-QGZVFWFLSA-N 2 2 396.579 3.391 20 0 GGADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1ccc(C(F)(F)F)cc1 ZINC000113254897 1412283675 /nfs/dbraw/zinc/28/36/75/1412283675.db2.gz SUYHYKSVLYZYGB-KRWDZBQOSA-N 2 2 378.398 3.344 20 0 GGADLP CC(C)[C@@H](C[NH2+]Cc1csc(COc2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000113319803 1412292305 /nfs/dbraw/zinc/29/23/05/1412292305.db2.gz IIKFCWFUGSSJLX-HXUWFJFHSA-N 2 2 388.581 3.084 20 0 GGADLP O=C(NC1CCCCC1)N1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000113352033 1412297525 /nfs/dbraw/zinc/29/75/25/1412297525.db2.gz RAYQJPBYWISTPU-UHFFFAOYSA-N 2 2 381.524 3.469 20 0 GGADLP Cc1ccc(C[C@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000113388619 1412303037 /nfs/dbraw/zinc/30/30/37/1412303037.db2.gz KUBMROWXXSJLQH-HSZRJFAPSA-N 2 2 398.595 3.270 20 0 GGADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000113933160 1412354450 /nfs/dbraw/zinc/35/44/50/1412354450.db2.gz GREGOKMHNHLKDR-KRWDZBQOSA-N 2 2 394.397 3.224 20 0 GGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000114018750 1412369248 /nfs/dbraw/zinc/36/92/48/1412369248.db2.gz UTNNGDORDTUFKD-FPOVZHCZSA-N 2 2 399.583 3.478 20 0 GGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000114018750 1412369252 /nfs/dbraw/zinc/36/92/52/1412369252.db2.gz UTNNGDORDTUFKD-FPOVZHCZSA-N 2 2 399.583 3.478 20 0 GGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000114179585 1412388189 /nfs/dbraw/zinc/38/81/89/1412388189.db2.gz KHWYWHGBODODJK-KDURUIRLSA-N 2 2 396.535 3.142 20 0 GGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000114179585 1412388196 /nfs/dbraw/zinc/38/81/96/1412388196.db2.gz KHWYWHGBODODJK-KDURUIRLSA-N 2 2 396.535 3.142 20 0 GGADLP Cc1csc2nc(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc(=O)n12 ZINC000114200341 1412393780 /nfs/dbraw/zinc/39/37/80/1412393780.db2.gz VRWIVRKTYAAMEH-UHFFFAOYSA-N 2 2 382.533 3.161 20 0 GGADLP Cc1csc2nc(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc(=O)n12 ZINC000114200341 1412393786 /nfs/dbraw/zinc/39/37/86/1412393786.db2.gz VRWIVRKTYAAMEH-UHFFFAOYSA-N 2 2 382.533 3.161 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114786635 1412523921 /nfs/dbraw/zinc/52/39/21/1412523921.db2.gz YGKUJEANFILHAL-NRFANRHFSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114786635 1412523926 /nfs/dbraw/zinc/52/39/26/1412523926.db2.gz YGKUJEANFILHAL-NRFANRHFSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114787092 1412524974 /nfs/dbraw/zinc/52/49/74/1412524974.db2.gz KBOIMWWYGPFTQM-QFIPXVFZSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114787092 1412524984 /nfs/dbraw/zinc/52/49/84/1412524984.db2.gz KBOIMWWYGPFTQM-QFIPXVFZSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC000114799366 1412527532 /nfs/dbraw/zinc/52/75/32/1412527532.db2.gz ULFFUGQEAHGNEP-GOTSBHOMSA-N 2 2 392.547 3.217 20 0 GGADLP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC000114799366 1412527541 /nfs/dbraw/zinc/52/75/41/1412527541.db2.gz ULFFUGQEAHGNEP-GOTSBHOMSA-N 2 2 392.547 3.217 20 0 GGADLP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000114799366 1412527551 /nfs/dbraw/zinc/52/75/51/1412527551.db2.gz ULFFUGQEAHGNEP-GOTSBHOMSA-N 2 2 392.547 3.217 20 0 GGADLP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000114799366 1412527559 /nfs/dbraw/zinc/52/75/59/1412527559.db2.gz ULFFUGQEAHGNEP-GOTSBHOMSA-N 2 2 392.547 3.217 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)c1ccco1 ZINC000114826591 1412534736 /nfs/dbraw/zinc/53/47/36/1412534736.db2.gz PDSGOUPDQBDFLY-QUCCMNQESA-N 2 2 399.539 3.146 20 0 GGADLP Cc1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000177258134 1428656811 /nfs/dbraw/zinc/65/68/11/1428656811.db2.gz NKMJZSCXUSUISC-HSZRJFAPSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1ccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(C)c1 ZINC000177258134 1428656825 /nfs/dbraw/zinc/65/68/25/1428656825.db2.gz NKMJZSCXUSUISC-HSZRJFAPSA-N 2 2 397.563 3.077 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)c1C ZINC000114949491 1412556470 /nfs/dbraw/zinc/55/64/70/1412556470.db2.gz FVHKOFSAGWVFHC-UHFFFAOYSA-N 2 2 384.524 3.289 20 0 GGADLP C[N@H+](C[C@H](O)c1ccc(F)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259260 1428657662 /nfs/dbraw/zinc/65/76/62/1428657662.db2.gz LOWLDNVIJMPGMT-NRFANRHFSA-N 2 2 375.463 3.032 20 0 GGADLP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259260 1428657679 /nfs/dbraw/zinc/65/76/79/1428657679.db2.gz LOWLDNVIJMPGMT-NRFANRHFSA-N 2 2 375.463 3.032 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000115615273 1412734209 /nfs/dbraw/zinc/73/42/09/1412734209.db2.gz NLBPLSNQWXFSFW-SFHVURJKSA-N 2 2 391.462 3.257 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000115615273 1412734220 /nfs/dbraw/zinc/73/42/20/1412734220.db2.gz NLBPLSNQWXFSFW-SFHVURJKSA-N 2 2 391.462 3.257 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000115615274 1412734757 /nfs/dbraw/zinc/73/47/57/1412734757.db2.gz NLBPLSNQWXFSFW-GOSISDBHSA-N 2 2 391.462 3.257 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2c(F)cccc2F)o1 ZINC000115615274 1412734769 /nfs/dbraw/zinc/73/47/69/1412734769.db2.gz NLBPLSNQWXFSFW-GOSISDBHSA-N 2 2 391.462 3.257 20 0 GGADLP C[NH+](C)Cc1cc(CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)ccc1F ZINC000115695265 1412765180 /nfs/dbraw/zinc/76/51/80/1412765180.db2.gz ZKISLYZOTYWFPV-UHFFFAOYSA-N 2 2 395.482 3.132 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cn2c1 ZINC000116231770 1412845524 /nfs/dbraw/zinc/84/55/24/1412845524.db2.gz KFZBDZXGVOFTIO-QGZVFWFLSA-N 2 2 376.570 3.359 20 0 GGADLP CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000116334991 1412850667 /nfs/dbraw/zinc/85/06/67/1412850667.db2.gz SJSSELIJPQTHQY-UHFFFAOYSA-N 2 2 389.975 3.063 20 0 GGADLP CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000116334997 1412850801 /nfs/dbraw/zinc/85/08/01/1412850801.db2.gz MBYQEXOAXSPUDU-UHFFFAOYSA-N 2 2 389.975 3.063 20 0 GGADLP C[NH+](C)CC[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(C)(C)C ZINC000116424450 1412858428 /nfs/dbraw/zinc/85/84/28/1412858428.db2.gz ODOWLBSXEOTMMI-SFHVURJKSA-N 2 2 375.492 3.177 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000116434976 1412859532 /nfs/dbraw/zinc/85/95/32/1412859532.db2.gz XZGRMEJMWROSTB-SFHVURJKSA-N 2 2 381.524 3.408 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)Cc1ccccc1 ZINC000116496948 1412868564 /nfs/dbraw/zinc/86/85/64/1412868564.db2.gz AWPCOHYLDOHEPJ-OAQYLSRUSA-N 2 2 378.520 3.255 20 0 GGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000116675306 1412895230 /nfs/dbraw/zinc/89/52/30/1412895230.db2.gz FSXOHAYDZNGDPB-UHFFFAOYSA-N 2 2 379.932 3.021 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117669234 1413063947 /nfs/dbraw/zinc/06/39/47/1413063947.db2.gz XXOOOEHYPJFGGA-UHFFFAOYSA-N 2 2 384.430 3.355 20 0 GGADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000117737169 1413073654 /nfs/dbraw/zinc/07/36/54/1413073654.db2.gz FFYWWLXBTIUYGN-UHFFFAOYSA-N 2 2 376.504 3.178 20 0 GGADLP COc1cccc([C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)c1 ZINC000117744649 1413074368 /nfs/dbraw/zinc/07/43/68/1413074368.db2.gz OYARDSNGSYURSR-JOCHJYFZSA-N 2 2 390.487 3.448 20 0 GGADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC000117759398 1413077188 /nfs/dbraw/zinc/07/71/88/1413077188.db2.gz NNZRSMJRPWGOEZ-NRFANRHFSA-N 2 2 382.508 3.015 20 0 GGADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC000117759398 1413077197 /nfs/dbraw/zinc/07/71/97/1413077197.db2.gz NNZRSMJRPWGOEZ-NRFANRHFSA-N 2 2 382.508 3.015 20 0 GGADLP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC000117795289 1413079648 /nfs/dbraw/zinc/07/96/48/1413079648.db2.gz MLUPHGCYEYFTHA-JOCHJYFZSA-N 2 2 396.535 3.405 20 0 GGADLP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC000117795289 1413079657 /nfs/dbraw/zinc/07/96/57/1413079657.db2.gz MLUPHGCYEYFTHA-JOCHJYFZSA-N 2 2 396.535 3.405 20 0 GGADLP Cc1ccc(-c2noc([C@@H](C)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)n2)cc1F ZINC000177376027 1428710048 /nfs/dbraw/zinc/71/00/48/1428710048.db2.gz SZSILLQWSWPUPH-MRXNPFEDSA-N 2 2 389.519 3.203 20 0 GGADLP Cc1ccc(-c2noc([C@@H](C)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)n2)cc1F ZINC000177376027 1428710053 /nfs/dbraw/zinc/71/00/53/1428710053.db2.gz SZSILLQWSWPUPH-MRXNPFEDSA-N 2 2 389.519 3.203 20 0 GGADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000177380586 1428711664 /nfs/dbraw/zinc/71/16/64/1428711664.db2.gz TUASBLIPXPTEDA-RXVVDRJESA-N 2 2 389.503 3.335 20 0 GGADLP C[C@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000177380586 1428711669 /nfs/dbraw/zinc/71/16/69/1428711669.db2.gz TUASBLIPXPTEDA-RXVVDRJESA-N 2 2 389.503 3.335 20 0 GGADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 ZINC000118868235 1413254901 /nfs/dbraw/zinc/25/49/01/1413254901.db2.gz ZLVDXMPWBBSCBX-UHFFFAOYSA-N 2 2 397.445 3.184 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000177383405 1428713162 /nfs/dbraw/zinc/71/31/62/1428713162.db2.gz LMLUWRRHKHKSEX-UHFFFAOYSA-N 2 2 378.467 3.078 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2ccc(F)c(F)c2)n1 ZINC000177383405 1428713169 /nfs/dbraw/zinc/71/31/69/1428713169.db2.gz LMLUWRRHKHKSEX-UHFFFAOYSA-N 2 2 378.467 3.078 20 0 GGADLP COc1ccccc1-c1nc(CN(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000177386291 1428713715 /nfs/dbraw/zinc/71/37/15/1428713715.db2.gz KGZVYMHAMPSXQZ-UHFFFAOYSA-N 2 2 388.581 3.277 20 0 GGADLP COc1ccccc1-c1nc(CN(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000177386291 1428713718 /nfs/dbraw/zinc/71/37/18/1428713718.db2.gz KGZVYMHAMPSXQZ-UHFFFAOYSA-N 2 2 388.581 3.277 20 0 GGADLP Fc1ccc(Cl)cc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000118943500 1413267421 /nfs/dbraw/zinc/26/74/21/1413267421.db2.gz ZWDDJUNSLFWELL-UHFFFAOYSA-N 2 2 378.875 3.480 20 0 GGADLP CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119065062 1413322964 /nfs/dbraw/zinc/32/29/64/1413322964.db2.gz OCGKZLQNZSHSSD-IPMKNSEASA-N 2 2 375.561 3.086 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000119250721 1413389645 /nfs/dbraw/zinc/38/96/45/1413389645.db2.gz GOQIBKAASIRVDF-YLJYHZDGSA-N 2 2 398.576 3.351 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000119250721 1413389648 /nfs/dbraw/zinc/38/96/48/1413389648.db2.gz GOQIBKAASIRVDF-YLJYHZDGSA-N 2 2 398.576 3.351 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000119359370 1413422915 /nfs/dbraw/zinc/42/29/15/1413422915.db2.gz WKPDXRLMOJZTHG-RTWAWAEBSA-N 2 2 380.536 3.113 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000119359370 1413422921 /nfs/dbraw/zinc/42/29/21/1413422921.db2.gz WKPDXRLMOJZTHG-RTWAWAEBSA-N 2 2 380.536 3.113 20 0 GGADLP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CCCn3cc[nH+]c3)c2)CC1 ZINC000119507355 1413469979 /nfs/dbraw/zinc/46/99/79/1413469979.db2.gz VQUPFXOOPAUBHC-UHFFFAOYSA-N 2 2 383.540 3.347 20 0 GGADLP C[C@@H]1CN(C(C)(C)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C[C@@H](C)O1 ZINC000119523604 1413474759 /nfs/dbraw/zinc/47/47/59/1413474759.db2.gz IENDHPHPDCVXKY-RTBURBONSA-N 2 2 388.600 3.199 20 0 GGADLP C[NH+](C)CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000119657540 1413518433 /nfs/dbraw/zinc/51/84/33/1413518433.db2.gz KAHVAGMFRLRNQB-UHFFFAOYSA-N 2 2 378.314 3.464 20 0 GGADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccn1 ZINC000119814716 1413579288 /nfs/dbraw/zinc/57/92/88/1413579288.db2.gz MOLFGRNTFYVKMF-UHFFFAOYSA-N 2 2 384.549 3.091 20 0 GGADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccn1 ZINC000119814716 1413579292 /nfs/dbraw/zinc/57/92/92/1413579292.db2.gz MOLFGRNTFYVKMF-UHFFFAOYSA-N 2 2 384.549 3.091 20 0 GGADLP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000119995450 1413646929 /nfs/dbraw/zinc/64/69/29/1413646929.db2.gz GGRZQXJDMZWYKQ-IBGZPJMESA-N 2 2 397.523 3.203 20 0 GGADLP Cc1ccc2c(C[NH+]3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)cc(=O)oc2c1 ZINC000120048081 1413667323 /nfs/dbraw/zinc/66/73/23/1413667323.db2.gz QOAOTKNUKKQJNS-RTBURBONSA-N 2 2 383.536 3.092 20 0 GGADLP Cc1cccc(OC(F)F)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120090161 1413683868 /nfs/dbraw/zinc/68/38/68/1413683868.db2.gz IBSKYHSHXUPRRC-UHFFFAOYSA-N 2 2 396.482 3.277 20 0 GGADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1)C1CC1 ZINC000120117752 1413694436 /nfs/dbraw/zinc/69/44/36/1413694436.db2.gz JHTNYQVKYBWZDJ-IBGZPJMESA-N 2 2 380.536 3.499 20 0 GGADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1)C1CC1 ZINC000120117752 1413694440 /nfs/dbraw/zinc/69/44/40/1413694440.db2.gz JHTNYQVKYBWZDJ-IBGZPJMESA-N 2 2 380.536 3.499 20 0 GGADLP Cc1[nH]c2ccc(Cl)cc2c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120177715 1413719760 /nfs/dbraw/zinc/71/97/60/1413719760.db2.gz PQKNYALEEBMZMB-UHFFFAOYSA-N 2 2 388.943 3.418 20 0 GGADLP Cc1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1OC(C)C ZINC000120190028 1413724333 /nfs/dbraw/zinc/72/43/33/1413724333.db2.gz VFDLRXIIUKDGQZ-UHFFFAOYSA-N 2 2 388.556 3.462 20 0 GGADLP CCOc1cc(Cl)ccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120271887 1413762733 /nfs/dbraw/zinc/76/27/33/1413762733.db2.gz JROSSFRQVNASPB-UHFFFAOYSA-N 2 2 394.947 3.419 20 0 GGADLP COc1ccc([C@@H](CCO)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000120319222 1413784349 /nfs/dbraw/zinc/78/43/49/1413784349.db2.gz KRPIZONXMDDNRW-HSZRJFAPSA-N 2 2 383.536 3.443 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)c2C1 ZINC000177472990 1428755352 /nfs/dbraw/zinc/75/53/52/1428755352.db2.gz VHVBKKRYOUCZKT-IRXDYDNUSA-N 2 2 380.536 3.215 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@H]3CCC[C@H]([NH+](C)C)C3)c2C1 ZINC000177472990 1428755361 /nfs/dbraw/zinc/75/53/61/1428755361.db2.gz VHVBKKRYOUCZKT-IRXDYDNUSA-N 2 2 380.536 3.215 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)c2C1 ZINC000177472974 1428755380 /nfs/dbraw/zinc/75/53/80/1428755380.db2.gz VHVBKKRYOUCZKT-SJORKVTESA-N 2 2 380.536 3.215 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H]3CCC[C@H]([NH+](C)C)C3)c2C1 ZINC000177472974 1428755388 /nfs/dbraw/zinc/75/53/88/1428755388.db2.gz VHVBKKRYOUCZKT-SJORKVTESA-N 2 2 380.536 3.215 20 0 GGADLP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120530776 1413837107 /nfs/dbraw/zinc/83/71/07/1413837107.db2.gz SXIOKFLTSGMKPM-RXVVDRJESA-N 2 2 383.467 3.113 20 0 GGADLP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000120530776 1413837108 /nfs/dbraw/zinc/83/71/08/1413837108.db2.gz SXIOKFLTSGMKPM-RXVVDRJESA-N 2 2 383.467 3.113 20 0 GGADLP C[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000120565774 1413844734 /nfs/dbraw/zinc/84/47/34/1413844734.db2.gz UQKDRTRFEFOIBA-FQEVSTJZSA-N 2 2 387.549 3.404 20 0 GGADLP C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000120565774 1413844737 /nfs/dbraw/zinc/84/47/37/1413844737.db2.gz UQKDRTRFEFOIBA-FQEVSTJZSA-N 2 2 387.549 3.404 20 0 GGADLP C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000120565774 1413844740 /nfs/dbraw/zinc/84/47/40/1413844740.db2.gz UQKDRTRFEFOIBA-FQEVSTJZSA-N 2 2 387.549 3.404 20 0 GGADLP C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000120565774 1413844742 /nfs/dbraw/zinc/84/47/42/1413844742.db2.gz UQKDRTRFEFOIBA-FQEVSTJZSA-N 2 2 387.549 3.404 20 0 GGADLP C[N@H+](CCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000120607270 1413853571 /nfs/dbraw/zinc/85/35/71/1413853571.db2.gz HMSVWIBXBGNLGR-UHFFFAOYSA-N 2 2 397.567 3.428 20 0 GGADLP C[N@@H+](CCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000120607270 1413853574 /nfs/dbraw/zinc/85/35/74/1413853574.db2.gz HMSVWIBXBGNLGR-UHFFFAOYSA-N 2 2 397.567 3.428 20 0 GGADLP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000177492242 1428767336 /nfs/dbraw/zinc/76/73/36/1428767336.db2.gz QIFJBIGMBZSUCH-OALUTQOASA-N 2 2 389.584 3.294 20 0 GGADLP Cc1cc(Cl)ccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177486479 1428763315 /nfs/dbraw/zinc/76/33/15/1428763315.db2.gz IPYMTGFMQWRDLX-MRXNPFEDSA-N 2 2 381.948 3.454 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000177486796 1428763597 /nfs/dbraw/zinc/76/35/97/1428763597.db2.gz RLJAASZSGHIFKM-IBGZPJMESA-N 2 2 393.959 3.314 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120757971 1413894577 /nfs/dbraw/zinc/89/45/77/1413894577.db2.gz HUDSTWDDPYYGRW-KKSFZXQISA-N 2 2 385.483 3.130 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120757971 1413894578 /nfs/dbraw/zinc/89/45/78/1413894578.db2.gz HUDSTWDDPYYGRW-KKSFZXQISA-N 2 2 385.483 3.130 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cc(Cl)ccc2F)CC1 ZINC000177487413 1428764289 /nfs/dbraw/zinc/76/42/89/1428764289.db2.gz YNBQTIQFUQBDTR-AWEZNQCLSA-N 2 2 385.911 3.285 20 0 GGADLP Cc1cc(N2CC[NH+]([C@H](C(N)=O)c3ccccc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000120788645 1413903288 /nfs/dbraw/zinc/90/32/88/1413903288.db2.gz VQAQASROJFKXHX-NRFANRHFSA-N 2 2 378.451 3.031 20 0 GGADLP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)C[C@H](C)O1 ZINC000177503777 1428772778 /nfs/dbraw/zinc/77/27/78/1428772778.db2.gz BPNCXDDJZWFSFN-HOTGVXAUSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000120961198 1413960702 /nfs/dbraw/zinc/96/07/02/1413960702.db2.gz RWKYFRAGVWAORA-NQIIRXRSSA-N 2 2 393.535 3.185 20 0 GGADLP COc1cccc(C[C@H]([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C2CC2)c1 ZINC000121041176 1413986433 /nfs/dbraw/zinc/98/64/33/1413986433.db2.gz GCKHRGVUYCMDER-VWNXMTODSA-N 2 2 380.532 3.025 20 0 GGADLP COc1cccc(C[C@H]([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)C2CC2)c1 ZINC000121041176 1413986439 /nfs/dbraw/zinc/98/64/39/1413986439.db2.gz GCKHRGVUYCMDER-VWNXMTODSA-N 2 2 380.532 3.025 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000121059665 1413992330 /nfs/dbraw/zinc/99/23/30/1413992330.db2.gz AAIJTHULJSWBCT-UHFFFAOYSA-N 2 2 392.975 3.039 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000121059665 1413992334 /nfs/dbraw/zinc/99/23/34/1413992334.db2.gz AAIJTHULJSWBCT-UHFFFAOYSA-N 2 2 392.975 3.039 20 0 GGADLP Fc1cc2c(c(F)c1)CC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000121160959 1414028940 /nfs/dbraw/zinc/02/89/40/1414028940.db2.gz ICGOZLMJIYUQMV-QFIPXVFZSA-N 2 2 388.458 3.453 20 0 GGADLP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)C[C@@H](C)O1 ZINC000177510099 1428775811 /nfs/dbraw/zinc/77/58/11/1428775811.db2.gz LBWZTOLROPSOMV-HZPDHXFCSA-N 2 2 395.494 3.115 20 0 GGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c(F)cccc3N3CCCC3)cc2)CC1 ZINC000121182927 1414036696 /nfs/dbraw/zinc/03/66/96/1414036696.db2.gz JGQAIXZDMPHYSG-UHFFFAOYSA-N 2 2 396.554 3.463 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3c(F)cccc3N3CCCC3)cc2)CC1 ZINC000121182927 1414036703 /nfs/dbraw/zinc/03/67/03/1414036703.db2.gz JGQAIXZDMPHYSG-UHFFFAOYSA-N 2 2 396.554 3.463 20 0 GGADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177512361 1428777179 /nfs/dbraw/zinc/77/71/79/1428777179.db2.gz ZACMMUOXUNLVPT-KSZLIROESA-N 2 2 398.551 3.195 20 0 GGADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177512361 1428777185 /nfs/dbraw/zinc/77/71/85/1428777185.db2.gz ZACMMUOXUNLVPT-KSZLIROESA-N 2 2 398.551 3.195 20 0 GGADLP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000121312504 1414080241 /nfs/dbraw/zinc/08/02/41/1414080241.db2.gz AQENFQMDSYVPRD-NRFANRHFSA-N 2 2 381.564 3.428 20 0 GGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121311842 1414080384 /nfs/dbraw/zinc/08/03/84/1414080384.db2.gz FUDVQJLULICTRO-ZRBLBEILSA-N 2 2 383.580 3.132 20 0 GGADLP COc1cccc(S(=O)(=O)CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121614496 1414201077 /nfs/dbraw/zinc/20/10/77/1414201077.db2.gz LOXVEMOPBAVRMI-UHFFFAOYSA-N 2 2 394.581 3.057 20 0 GGADLP C[N@H+](C[C@H](O)COCc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121618175 1414202184 /nfs/dbraw/zinc/20/21/84/1414202184.db2.gz PBTCYKPACIYBRA-QFIPXVFZSA-N 2 2 386.511 3.300 20 0 GGADLP C[N@@H+](C[C@H](O)COCc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121618175 1414202191 /nfs/dbraw/zinc/20/21/91/1414202191.db2.gz PBTCYKPACIYBRA-QFIPXVFZSA-N 2 2 386.511 3.300 20 0 GGADLP C[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000121753329 1414246694 /nfs/dbraw/zinc/24/66/94/1414246694.db2.gz YYSVDRSYZTXPOW-RXVVDRJESA-N 2 2 393.535 3.144 20 0 GGADLP C[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000121753329 1414246703 /nfs/dbraw/zinc/24/67/03/1414246703.db2.gz YYSVDRSYZTXPOW-RXVVDRJESA-N 2 2 393.535 3.144 20 0 GGADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000121799848 1414261044 /nfs/dbraw/zinc/26/10/44/1414261044.db2.gz WYLGQSQXWXJRDV-UHFFFAOYSA-N 2 2 399.514 3.094 20 0 GGADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000121893092 1414295713 /nfs/dbraw/zinc/29/57/13/1414295713.db2.gz BXXFVYIABUZRDI-OAQYLSRUSA-N 2 2 398.526 3.395 20 0 GGADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000121893092 1414295719 /nfs/dbraw/zinc/29/57/19/1414295719.db2.gz BXXFVYIABUZRDI-OAQYLSRUSA-N 2 2 398.526 3.395 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000177585199 1428803480 /nfs/dbraw/zinc/80/34/80/1428803480.db2.gz OVIKNYQIFBXABJ-UHFFFAOYSA-N 2 2 397.910 3.452 20 0 GGADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000122327439 1414425170 /nfs/dbraw/zinc/42/51/70/1414425170.db2.gz PYKWSTJZHSPPHL-PZJWPPBQSA-N 2 2 386.561 3.003 20 0 GGADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000122327439 1414425175 /nfs/dbraw/zinc/42/51/75/1414425175.db2.gz PYKWSTJZHSPPHL-PZJWPPBQSA-N 2 2 386.561 3.003 20 0 GGADLP CC(=O)c1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000122402163 1414447786 /nfs/dbraw/zinc/44/77/86/1414447786.db2.gz WQCSACXQTISQOW-UHFFFAOYSA-N 2 2 392.931 3.223 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1ccc2ccccc2c1 ZINC000122945443 1414602544 /nfs/dbraw/zinc/60/25/44/1414602544.db2.gz WXUVHOFHXQJDON-UHFFFAOYSA-N 2 2 385.577 3.416 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSc1ccc2ccccc2c1 ZINC000122945443 1414602549 /nfs/dbraw/zinc/60/25/49/1414602549.db2.gz WXUVHOFHXQJDON-UHFFFAOYSA-N 2 2 385.577 3.416 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000123333626 1414699004 /nfs/dbraw/zinc/69/90/04/1414699004.db2.gz IPZRUIBJBRNQDA-KRWDZBQOSA-N 2 2 382.508 3.094 20 0 GGADLP c1ccc(-c2cccc(CC[NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)c2)cc1 ZINC000123604516 1414792396 /nfs/dbraw/zinc/79/23/96/1414792396.db2.gz ZLWZVFXVQBPXEX-UHFFFAOYSA-N 2 2 393.575 3.282 20 0 GGADLP c1ccc(-c2cccc(CC[NH2+]C3CC[NH+](CCN4CCOCC4)CC3)c2)cc1 ZINC000123604516 1414792410 /nfs/dbraw/zinc/79/24/10/1414792410.db2.gz ZLWZVFXVQBPXEX-UHFFFAOYSA-N 2 2 393.575 3.282 20 0 GGADLP C[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123815946 1414828406 /nfs/dbraw/zinc/82/84/06/1414828406.db2.gz YBMWRNOHJUDYDB-KXBFYZLASA-N 2 2 378.879 3.265 20 0 GGADLP C[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123815946 1414828408 /nfs/dbraw/zinc/82/84/08/1414828408.db2.gz YBMWRNOHJUDYDB-KXBFYZLASA-N 2 2 378.879 3.265 20 0 GGADLP CCN(C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1nc2ccccc2s1 ZINC000123814543 1414828529 /nfs/dbraw/zinc/82/85/29/1414828529.db2.gz XLQGRZRJQVVEDI-INIZCTEOSA-N 2 2 397.548 3.337 20 0 GGADLP CCN(C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1nc2ccccc2s1 ZINC000123814543 1414828530 /nfs/dbraw/zinc/82/85/30/1414828530.db2.gz XLQGRZRJQVVEDI-INIZCTEOSA-N 2 2 397.548 3.337 20 0 GGADLP CC[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123855715 1414836037 /nfs/dbraw/zinc/83/60/37/1414836037.db2.gz LROXEHLNQKWCLI-SFTDATJTSA-N 2 2 398.551 3.192 20 0 GGADLP CC[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123855715 1414836042 /nfs/dbraw/zinc/83/60/42/1414836042.db2.gz LROXEHLNQKWCLI-SFTDATJTSA-N 2 2 398.551 3.192 20 0 GGADLP CC[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123856465 1414836085 /nfs/dbraw/zinc/83/60/85/1414836085.db2.gz LROXEHLNQKWCLI-NHCUHLMSSA-N 2 2 398.551 3.192 20 0 GGADLP CC[C@@H](NC(=O)CCn1cc[nH+]c1C(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123856465 1414836086 /nfs/dbraw/zinc/83/60/86/1414836086.db2.gz LROXEHLNQKWCLI-NHCUHLMSSA-N 2 2 398.551 3.192 20 0 GGADLP COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C(C)C)cc1 ZINC000123855632 1414836282 /nfs/dbraw/zinc/83/62/82/1414836282.db2.gz AKMTYULQRPZQGN-JPYJTQIMSA-N 2 2 398.551 3.197 20 0 GGADLP COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C(C)C)cc1 ZINC000123855632 1414836283 /nfs/dbraw/zinc/83/62/83/1414836283.db2.gz AKMTYULQRPZQGN-JPYJTQIMSA-N 2 2 398.551 3.197 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000124072606 1414880424 /nfs/dbraw/zinc/88/04/24/1414880424.db2.gz QNRSZXBXOWWMBC-FQEVSTJZSA-N 2 2 392.547 3.396 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000124195890 1414906037 /nfs/dbraw/zinc/90/60/37/1414906037.db2.gz QBPFXVOTNKYKCB-TZIWHRDSSA-N 2 2 389.609 3.261 20 0 GGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000124195890 1414906041 /nfs/dbraw/zinc/90/60/41/1414906041.db2.gz QBPFXVOTNKYKCB-TZIWHRDSSA-N 2 2 389.609 3.261 20 0 GGADLP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124246672 1414918672 /nfs/dbraw/zinc/91/86/72/1414918672.db2.gz PGPNXUXZJZVSRG-KGLIPLIRSA-N 2 2 385.537 3.389 20 0 GGADLP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124246672 1414918682 /nfs/dbraw/zinc/91/86/82/1414918682.db2.gz PGPNXUXZJZVSRG-KGLIPLIRSA-N 2 2 385.537 3.389 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000124250821 1414920493 /nfs/dbraw/zinc/92/04/93/1414920493.db2.gz DBPWYANWJOPSMN-HXUWFJFHSA-N 2 2 386.496 3.311 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000124250821 1414920499 /nfs/dbraw/zinc/92/04/99/1414920499.db2.gz DBPWYANWJOPSMN-HXUWFJFHSA-N 2 2 386.496 3.311 20 0 GGADLP COc1ccc2oc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)cc2c1 ZINC000124438384 1414969154 /nfs/dbraw/zinc/96/91/54/1414969154.db2.gz PZHRDWFVCBGONE-UHFFFAOYSA-N 2 2 396.487 3.442 20 0 GGADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124456305 1414972788 /nfs/dbraw/zinc/97/27/88/1414972788.db2.gz FIPCIGIOVYRNMQ-IBGZPJMESA-N 2 2 376.504 3.499 20 0 GGADLP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124456305 1414972789 /nfs/dbraw/zinc/97/27/89/1414972789.db2.gz FIPCIGIOVYRNMQ-IBGZPJMESA-N 2 2 376.504 3.499 20 0 GGADLP COc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124528527 1414988349 /nfs/dbraw/zinc/98/83/49/1414988349.db2.gz SCZPRFZBBJWREK-SFTDATJTSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccccc1CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124528527 1414988351 /nfs/dbraw/zinc/98/83/51/1414988351.db2.gz SCZPRFZBBJWREK-SFTDATJTSA-N 2 2 387.568 3.033 20 0 GGADLP Cc1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124562440 1414994841 /nfs/dbraw/zinc/99/48/41/1414994841.db2.gz FGKBLLZFNPXROA-ROUUACIJSA-N 2 2 378.586 3.169 20 0 GGADLP Cc1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124562440 1414994844 /nfs/dbraw/zinc/99/48/44/1414994844.db2.gz FGKBLLZFNPXROA-ROUUACIJSA-N 2 2 378.586 3.169 20 0 GGADLP Cc1ccc(OCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124564095 1414994880 /nfs/dbraw/zinc/99/48/80/1414994880.db2.gz WSAVXZLZVBPFPD-FCHUYYIVSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccc(OCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124564095 1414994883 /nfs/dbraw/zinc/99/48/83/1414994883.db2.gz WSAVXZLZVBPFPD-FCHUYYIVSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ncc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124586641 1414999782 /nfs/dbraw/zinc/99/97/82/1414999782.db2.gz LHDDNUQAVWBNQR-RMQQFATJSA-N 2 2 390.597 3.260 20 0 GGADLP Cc1ncc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124586641 1414999787 /nfs/dbraw/zinc/99/97/87/1414999787.db2.gz LHDDNUQAVWBNQR-RMQQFATJSA-N 2 2 390.597 3.260 20 0 GGADLP CC(=O)c1csc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124588742 1415000349 /nfs/dbraw/zinc/00/03/49/1415000349.db2.gz SMJWAFDTCMFVGX-MOPGFXCFSA-N 2 2 391.581 3.360 20 0 GGADLP CC(=O)c1csc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124588742 1415000354 /nfs/dbraw/zinc/00/03/54/1415000354.db2.gz SMJWAFDTCMFVGX-MOPGFXCFSA-N 2 2 391.581 3.360 20 0 GGADLP CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124609485 1415004909 /nfs/dbraw/zinc/00/49/09/1415004909.db2.gz DBPRPPBREIFDGF-FCHUYYIVSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124609485 1415004915 /nfs/dbraw/zinc/00/49/15/1415004915.db2.gz DBPRPPBREIFDGF-FCHUYYIVSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124609934 1415004991 /nfs/dbraw/zinc/00/49/91/1415004991.db2.gz DBPRPPBREIFDGF-FGZHOGPDSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124609934 1415004995 /nfs/dbraw/zinc/00/49/95/1415004995.db2.gz DBPRPPBREIFDGF-FGZHOGPDSA-N 2 2 385.552 3.298 20 0 GGADLP CN(C(=O)Cc1noc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124651210 1415013966 /nfs/dbraw/zinc/01/39/66/1415013966.db2.gz DWKWODWJKREEJD-RTWAWAEBSA-N 2 2 398.551 3.166 20 0 GGADLP CN(C(=O)Cc1noc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124651210 1415013969 /nfs/dbraw/zinc/01/39/69/1415013969.db2.gz DWKWODWJKREEJD-RTWAWAEBSA-N 2 2 398.551 3.166 20 0 GGADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177774639 1428855721 /nfs/dbraw/zinc/85/57/21/1428855721.db2.gz DYINXSZFVKDKMG-UHFFFAOYSA-N 2 2 379.508 3.388 20 0 GGADLP CN(C(=O)c1ccc(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124670859 1415017708 /nfs/dbraw/zinc/01/77/08/1415017708.db2.gz FZFCFTMMMGZZJW-PMACEKPBSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1ccc(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124670859 1415017715 /nfs/dbraw/zinc/01/77/15/1415017715.db2.gz FZFCFTMMMGZZJW-PMACEKPBSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124688909 1415022009 /nfs/dbraw/zinc/02/20/09/1415022009.db2.gz AFSIZQKIMIZHAJ-VQTJNVASSA-N 2 2 389.588 3.047 20 0 GGADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124688909 1415022016 /nfs/dbraw/zinc/02/20/16/1415022016.db2.gz AFSIZQKIMIZHAJ-VQTJNVASSA-N 2 2 389.588 3.047 20 0 GGADLP Cc1ccccc1OCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124694431 1415023442 /nfs/dbraw/zinc/02/34/42/1415023442.db2.gz WUYKNDDRLPKWEA-NHCUHLMSSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccccc1OCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124694431 1415023451 /nfs/dbraw/zinc/02/34/51/1415023451.db2.gz WUYKNDDRLPKWEA-NHCUHLMSSA-N 2 2 387.568 3.169 20 0 GGADLP CN(C(=O)c1cccc(Cl)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124697918 1415024238 /nfs/dbraw/zinc/02/42/38/1415024238.db2.gz WKRGOZSMYFQPEZ-MSOLQXFVSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1cccc(Cl)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124697918 1415024242 /nfs/dbraw/zinc/02/42/42/1415024242.db2.gz WKRGOZSMYFQPEZ-MSOLQXFVSA-N 2 2 378.948 3.144 20 0 GGADLP Cc1nc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124705135 1415025836 /nfs/dbraw/zinc/02/58/36/1415025836.db2.gz LGRKNPQKDIJXII-WOJBJXKFSA-N 2 2 392.613 3.098 20 0 GGADLP Cc1nc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124705135 1415025842 /nfs/dbraw/zinc/02/58/42/1415025842.db2.gz LGRKNPQKDIJXII-WOJBJXKFSA-N 2 2 392.613 3.098 20 0 GGADLP CN(C(=O)Cc1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124744351 1415034714 /nfs/dbraw/zinc/03/47/14/1415034714.db2.gz GTULIIPUDLPHDH-RTWAWAEBSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124744351 1415034720 /nfs/dbraw/zinc/03/47/20/1415034720.db2.gz GTULIIPUDLPHDH-RTWAWAEBSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)CCC(=O)c1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124745589 1415035060 /nfs/dbraw/zinc/03/50/60/1415035060.db2.gz WQOGFKUUVGVWNP-VXKWHMMOSA-N 2 2 399.579 3.445 20 0 GGADLP CN(C(=O)CCC(=O)c1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124745589 1415035064 /nfs/dbraw/zinc/03/50/64/1415035064.db2.gz WQOGFKUUVGVWNP-VXKWHMMOSA-N 2 2 399.579 3.445 20 0 GGADLP COCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124750111 1415036010 /nfs/dbraw/zinc/03/60/10/1415036010.db2.gz ODODALIKXFMDIQ-VXKWHMMOSA-N 2 2 387.568 3.242 20 0 GGADLP COCc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124750111 1415036015 /nfs/dbraw/zinc/03/60/15/1415036015.db2.gz ODODALIKXFMDIQ-VXKWHMMOSA-N 2 2 387.568 3.242 20 0 GGADLP CN(C(=O)/C=C/c1cncc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124766480 1415039805 /nfs/dbraw/zinc/03/98/05/1415039805.db2.gz UUJUUWAMGOMSOI-GHRJBCJXSA-N 2 2 388.531 3.030 20 0 GGADLP CN(C(=O)/C=C/c1cncc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124766480 1415039808 /nfs/dbraw/zinc/03/98/08/1415039808.db2.gz UUJUUWAMGOMSOI-GHRJBCJXSA-N 2 2 388.531 3.030 20 0 GGADLP CC(C)CCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124777056 1415042026 /nfs/dbraw/zinc/04/20/26/1415042026.db2.gz BFQXYPCZADHTOT-GIVPXCGWSA-N 2 2 381.605 3.233 20 0 GGADLP CC(C)CCO[C@H](C)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124777056 1415042029 /nfs/dbraw/zinc/04/20/29/1415042029.db2.gz BFQXYPCZADHTOT-GIVPXCGWSA-N 2 2 381.605 3.233 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124782627 1415043053 /nfs/dbraw/zinc/04/30/53/1415043053.db2.gz SIGMLZTVMXJYJC-UNMCSNQZSA-N 2 2 393.535 3.090 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000124782627 1415043061 /nfs/dbraw/zinc/04/30/61/1415043061.db2.gz SIGMLZTVMXJYJC-UNMCSNQZSA-N 2 2 393.535 3.090 20 0 GGADLP CN(C(=O)c1cccnc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124795811 1415046110 /nfs/dbraw/zinc/04/61/10/1415046110.db2.gz QYVUDTAVEZTXNK-ROUUACIJSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1cccnc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124795811 1415046115 /nfs/dbraw/zinc/04/61/15/1415046115.db2.gz QYVUDTAVEZTXNK-ROUUACIJSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124806601 1415048761 /nfs/dbraw/zinc/04/87/61/1415048761.db2.gz CQWQIQBJSRLYLX-RTWAWAEBSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124806601 1415048766 /nfs/dbraw/zinc/04/87/66/1415048766.db2.gz CQWQIQBJSRLYLX-RTWAWAEBSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)c1ccncc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124810330 1415049980 /nfs/dbraw/zinc/04/99/80/1415049980.db2.gz QWBYTYYKQNALRG-MOPGFXCFSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccncc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124810330 1415049988 /nfs/dbraw/zinc/04/99/88/1415049988.db2.gz QWBYTYYKQNALRG-MOPGFXCFSA-N 2 2 378.948 3.144 20 0 GGADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124831457 1415054482 /nfs/dbraw/zinc/05/44/82/1415054482.db2.gz BAJMUHJTNZRNEO-RYGJVYDSSA-N 2 2 390.572 3.191 20 0 GGADLP Cc1noc(C)c1[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124831457 1415054487 /nfs/dbraw/zinc/05/44/87/1415054487.db2.gz BAJMUHJTNZRNEO-RYGJVYDSSA-N 2 2 390.572 3.191 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC000124839041 1415056171 /nfs/dbraw/zinc/05/61/71/1415056171.db2.gz BNGDSZZNEKMANL-INIZCTEOSA-N 2 2 375.542 3.122 20 0 GGADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000124841578 1415056990 /nfs/dbraw/zinc/05/69/90/1415056990.db2.gz UWLFCVWPYMZDRN-COPCDDAFSA-N 2 2 386.584 3.371 20 0 GGADLP C[C@H](CC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000124841578 1415056993 /nfs/dbraw/zinc/05/69/93/1415056993.db2.gz UWLFCVWPYMZDRN-COPCDDAFSA-N 2 2 386.584 3.371 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000124864094 1415061651 /nfs/dbraw/zinc/06/16/51/1415061651.db2.gz UPTKHIVOMIRXHG-FCHUYYIVSA-N 2 2 387.568 3.413 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000124864094 1415061660 /nfs/dbraw/zinc/06/16/60/1415061660.db2.gz UPTKHIVOMIRXHG-FCHUYYIVSA-N 2 2 387.568 3.413 20 0 GGADLP CN(C(=O)Cc1ccc(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124883388 1415066918 /nfs/dbraw/zinc/06/69/18/1415066918.db2.gz ANRKVDHDAXAKHF-SFTDATJTSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1ccc(F)c(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124883388 1415066925 /nfs/dbraw/zinc/06/69/25/1415066925.db2.gz ANRKVDHDAXAKHF-SFTDATJTSA-N 2 2 393.522 3.303 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C)c2nc(-c3ccc(C)cc3)no2)CC1 ZINC000124899029 1415069375 /nfs/dbraw/zinc/06/93/75/1415069375.db2.gz CUPJAEYYPLFWSB-SFHVURJKSA-N 2 2 394.523 3.319 20 0 GGADLP CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000124928179 1415075022 /nfs/dbraw/zinc/07/50/22/1415075022.db2.gz QUJVZCOTILSMPU-KRWDZBQOSA-N 2 2 378.476 3.238 20 0 GGADLP C[C@@H](Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000125189416 1415127009 /nfs/dbraw/zinc/12/70/09/1415127009.db2.gz QVIRTNRAEIDLGK-INIZCTEOSA-N 2 2 377.960 3.193 20 0 GGADLP C[C@H](Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000125189625 1415127093 /nfs/dbraw/zinc/12/70/93/1415127093.db2.gz QVIRTNRAEIDLGK-MRXNPFEDSA-N 2 2 377.960 3.193 20 0 GGADLP CC[NH+]1CCC([N@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000125196273 1415128410 /nfs/dbraw/zinc/12/84/10/1415128410.db2.gz JYGNSSGBLXBTHO-UHFFFAOYSA-N 2 2 384.524 3.165 20 0 GGADLP CC[NH+]1CCC([N@@H+](C)Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000125196273 1415128414 /nfs/dbraw/zinc/12/84/14/1415128414.db2.gz JYGNSSGBLXBTHO-UHFFFAOYSA-N 2 2 384.524 3.165 20 0 GGADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000125283047 1415151870 /nfs/dbraw/zinc/15/18/70/1415151870.db2.gz QOXKYSDVWLSAKI-FSSWDIPSSA-N 2 2 386.536 3.441 20 0 GGADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000125283047 1415151878 /nfs/dbraw/zinc/15/18/78/1415151878.db2.gz QOXKYSDVWLSAKI-FSSWDIPSSA-N 2 2 386.536 3.441 20 0 GGADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000125283047 1415151887 /nfs/dbraw/zinc/15/18/87/1415151887.db2.gz QOXKYSDVWLSAKI-FSSWDIPSSA-N 2 2 386.536 3.441 20 0 GGADLP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000125283047 1415151893 /nfs/dbraw/zinc/15/18/93/1415151893.db2.gz QOXKYSDVWLSAKI-FSSWDIPSSA-N 2 2 386.536 3.441 20 0 GGADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCCC1 ZINC000125290358 1415153908 /nfs/dbraw/zinc/15/39/08/1415153908.db2.gz JYOCYBODEPJJRB-GUDVDZBRSA-N 2 2 388.556 3.149 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125498676 1415214392 /nfs/dbraw/zinc/21/43/92/1415214392.db2.gz XEVCYNKJLMCWJR-GHTZIAJQSA-N 2 2 379.508 3.031 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000125498676 1415214398 /nfs/dbraw/zinc/21/43/98/1415214398.db2.gz XEVCYNKJLMCWJR-GHTZIAJQSA-N 2 2 379.508 3.031 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CN(C3CCCC3)C2=O)CC1 ZINC000125570131 1415228751 /nfs/dbraw/zinc/22/87/51/1415228751.db2.gz KQBZSQAVVXUUQA-GOSISDBHSA-N 2 2 390.572 3.127 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CN(C3CCCC3)C2=O)CC1 ZINC000125570131 1415228755 /nfs/dbraw/zinc/22/87/55/1415228755.db2.gz KQBZSQAVVXUUQA-GOSISDBHSA-N 2 2 390.572 3.127 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125859415 1415299298 /nfs/dbraw/zinc/29/92/98/1415299298.db2.gz KUKZWUFZTRQEBX-UHFFFAOYSA-N 2 2 384.430 3.355 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000177944763 1428897168 /nfs/dbraw/zinc/89/71/68/1428897168.db2.gz MOVOIEXHDVWUND-KRWDZBQOSA-N 2 2 383.521 3.107 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000177944763 1428897169 /nfs/dbraw/zinc/89/71/69/1428897169.db2.gz MOVOIEXHDVWUND-KRWDZBQOSA-N 2 2 383.521 3.107 20 0 GGADLP C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126163112 1415373848 /nfs/dbraw/zinc/37/38/48/1415373848.db2.gz STLQXGJITFGFMO-FXAWDEMLSA-N 2 2 384.549 3.155 20 0 GGADLP C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000126162458 1415373945 /nfs/dbraw/zinc/37/39/45/1415373945.db2.gz STLQXGJITFGFMO-XLIONFOSSA-N 2 2 384.549 3.155 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177967269 1428907212 /nfs/dbraw/zinc/90/72/12/1428907212.db2.gz NBRCWFOCZDAQLJ-YLJYHZDGSA-N 2 2 377.492 3.187 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177967269 1428907218 /nfs/dbraw/zinc/90/72/18/1428907218.db2.gz NBRCWFOCZDAQLJ-YLJYHZDGSA-N 2 2 377.492 3.187 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cccc4ccccc43)CC2)CC1 ZINC000126299424 1415410606 /nfs/dbraw/zinc/41/06/06/1415410606.db2.gz XNKCCUVVZVNQOH-UHFFFAOYSA-N 2 2 380.536 3.198 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)cn1 ZINC000126325710 1415417770 /nfs/dbraw/zinc/41/77/70/1415417770.db2.gz QGHPGDWKWDWNHU-HNNXBMFYSA-N 2 2 377.448 3.383 20 0 GGADLP COc1cc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc(OC)c1OC ZINC000126369468 1415428658 /nfs/dbraw/zinc/42/86/58/1415428658.db2.gz FZYLXEODRSFVSC-CQSZACIVSA-N 2 2 382.464 3.452 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000126495841 1415469859 /nfs/dbraw/zinc/46/98/59/1415469859.db2.gz WAQSMFKROHTTQW-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000126495841 1415469862 /nfs/dbraw/zinc/46/98/62/1415469862.db2.gz WAQSMFKROHTTQW-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000178016354 1428938231 /nfs/dbraw/zinc/93/82/31/1428938231.db2.gz KFUOHWJYGKBJET-OTWHNJEPSA-N 2 2 388.556 3.101 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000178016354 1428938234 /nfs/dbraw/zinc/93/82/34/1428938234.db2.gz KFUOHWJYGKBJET-OTWHNJEPSA-N 2 2 388.556 3.101 20 0 GGADLP CC[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000178016354 1428938237 /nfs/dbraw/zinc/93/82/37/1428938237.db2.gz KFUOHWJYGKBJET-OTWHNJEPSA-N 2 2 388.556 3.101 20 0 GGADLP CC[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000178016354 1428938242 /nfs/dbraw/zinc/93/82/42/1428938242.db2.gz KFUOHWJYGKBJET-OTWHNJEPSA-N 2 2 388.556 3.101 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(OC)c1 ZINC000126730986 1415541725 /nfs/dbraw/zinc/54/17/25/1415541725.db2.gz QQEYTYNLQGOBMW-GOSISDBHSA-N 2 2 383.536 3.302 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Cc1ccccc1 ZINC000126795080 1415561829 /nfs/dbraw/zinc/56/18/29/1415561829.db2.gz YFLTUFXZELAYKE-NRFANRHFSA-N 2 2 395.551 3.044 20 0 GGADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000178069482 1428967618 /nfs/dbraw/zinc/96/76/18/1428967618.db2.gz CXXCOQPOGWXKBV-CYBMUJFWSA-N 2 2 392.956 3.197 20 0 GGADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000178069492 1428967847 /nfs/dbraw/zinc/96/78/47/1428967847.db2.gz CXXCOQPOGWXKBV-ZDUSSCGKSA-N 2 2 392.956 3.197 20 0 GGADLP CCN(c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1)C(C)C ZINC000127232206 1415695969 /nfs/dbraw/zinc/69/59/69/1415695969.db2.gz LLWPLYBCHARSOG-UHFFFAOYSA-N 2 2 386.584 3.210 20 0 GGADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000127480379 1415796704 /nfs/dbraw/zinc/79/67/04/1415796704.db2.gz OIGFNUPNAYQOPR-HNNXBMFYSA-N 2 2 394.510 3.226 20 0 GGADLP CCOC(=O)c1sc2nc(C[NH+](C)C)nc(N3CCc4c[nH+]ccc43)c2c1C ZINC000127791550 1415851121 /nfs/dbraw/zinc/85/11/21/1415851121.db2.gz XIVKUEYWGRKTEI-UHFFFAOYSA-N 2 2 397.504 3.327 20 0 GGADLP COc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OCc1ccncc1 ZINC000127938413 1415878826 /nfs/dbraw/zinc/87/88/26/1415878826.db2.gz HBKKYCDYRUWSLM-RTBURBONSA-N 2 2 399.535 3.258 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)cc3F)cn2)CC1 ZINC000128400570 1415979510 /nfs/dbraw/zinc/97/95/10/1415979510.db2.gz MNZDAJUXUIPYEL-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP C[C@H]1C[NH+](CCC2CCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)C[C@H](C)O1 ZINC000178257096 1429035488 /nfs/dbraw/zinc/03/54/88/1429035488.db2.gz ZYCAZUYKMDGWGW-OALUTQOASA-N 2 2 396.535 3.224 20 0 GGADLP Cc1cccc(-c2cncc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)c1 ZINC000128569040 1416015382 /nfs/dbraw/zinc/01/53/82/1416015382.db2.gz VZWGZFNEWHNCNI-UHFFFAOYSA-N 2 2 392.547 3.345 20 0 GGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000128597563 1416022159 /nfs/dbraw/zinc/02/21/59/1416022159.db2.gz NFBXKNDYERASEK-UHFFFAOYSA-N 2 2 376.932 3.079 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000128602093 1416022781 /nfs/dbraw/zinc/02/27/81/1416022781.db2.gz XXPXONJRUUNKCO-XXBNENTESA-N 2 2 392.547 3.204 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000128602093 1416022787 /nfs/dbraw/zinc/02/27/87/1416022787.db2.gz XXPXONJRUUNKCO-XXBNENTESA-N 2 2 392.547 3.204 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000128625043 1416028279 /nfs/dbraw/zinc/02/82/79/1416028279.db2.gz MDZKSZDVTADLSA-UHFFFAOYSA-N 2 2 381.520 3.105 20 0 GGADLP CCC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000128663873 1416036998 /nfs/dbraw/zinc/03/69/98/1416036998.db2.gz NIAROTBRKNIFEV-NRFANRHFSA-N 2 2 396.535 3.260 20 0 GGADLP CCC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(OC)cc1 ZINC000128664092 1416037459 /nfs/dbraw/zinc/03/74/59/1416037459.db2.gz NIAROTBRKNIFEV-OAQYLSRUSA-N 2 2 396.535 3.260 20 0 GGADLP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000128730119 1416053661 /nfs/dbraw/zinc/05/36/61/1416053661.db2.gz MFJUHSWWAGEAKQ-OAQYLSRUSA-N 2 2 398.526 3.116 20 0 GGADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000128735201 1416054587 /nfs/dbraw/zinc/05/45/87/1416054587.db2.gz WCYHFGUKQAIANA-IBGZPJMESA-N 2 2 388.462 3.139 20 0 GGADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(Cl)c1 ZINC000128737080 1416055726 /nfs/dbraw/zinc/05/57/26/1416055726.db2.gz NANRFKZLERMSFP-HNNXBMFYSA-N 2 2 390.890 3.264 20 0 GGADLP C[C@H]1CC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000128767696 1416063076 /nfs/dbraw/zinc/06/30/76/1416063076.db2.gz IZRPUASUYNYTDP-RXVVDRJESA-N 2 2 378.520 3.349 20 0 GGADLP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)Cc1ccccc1 ZINC000178335509 1429054378 /nfs/dbraw/zinc/05/43/78/1429054378.db2.gz YEUYZNQRQGDYLC-SFTDATJTSA-N 2 2 397.567 3.050 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000128900955 1416096707 /nfs/dbraw/zinc/09/67/07/1416096707.db2.gz IFKBJJZSSSUYSF-GHTZIAJQSA-N 2 2 389.503 3.335 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccco1 ZINC000129075912 1416139108 /nfs/dbraw/zinc/13/91/08/1416139108.db2.gz VHOCBQWDBFKHPS-FQEVSTJZSA-N 2 2 395.507 3.407 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129553005 1416226915 /nfs/dbraw/zinc/22/69/15/1416226915.db2.gz PSXVOIXMABAQLL-LAUBAEHRSA-N 2 2 381.524 3.313 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129553005 1416226921 /nfs/dbraw/zinc/22/69/21/1416226921.db2.gz PSXVOIXMABAQLL-LAUBAEHRSA-N 2 2 381.524 3.313 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129606476 1416235783 /nfs/dbraw/zinc/23/57/83/1416235783.db2.gz GMUABFYVVUMZGS-XXBNENTESA-N 2 2 375.520 3.310 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129606476 1416235785 /nfs/dbraw/zinc/23/57/85/1416235785.db2.gz GMUABFYVVUMZGS-XXBNENTESA-N 2 2 375.520 3.310 20 0 GGADLP CC(C)c1ccc(OCCNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129628670 1416240236 /nfs/dbraw/zinc/24/02/36/1416240236.db2.gz MSJJPWQQCWZOBD-RXVVDRJESA-N 2 2 384.524 3.085 20 0 GGADLP CC(C)c1ccc(OCCNC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129628670 1416240238 /nfs/dbraw/zinc/24/02/38/1416240238.db2.gz MSJJPWQQCWZOBD-RXVVDRJESA-N 2 2 384.524 3.085 20 0 GGADLP CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)cc2)CC1 ZINC000129644254 1416242409 /nfs/dbraw/zinc/24/24/09/1416242409.db2.gz XVGOAFQROIIZAU-UHFFFAOYSA-N 2 2 380.536 3.138 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000129749071 1416257856 /nfs/dbraw/zinc/25/78/56/1416257856.db2.gz VZJYJGKQWGIITG-HDICACEKSA-N 2 2 384.524 3.011 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000129749071 1416257859 /nfs/dbraw/zinc/25/78/59/1416257859.db2.gz VZJYJGKQWGIITG-HDICACEKSA-N 2 2 384.524 3.011 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000129757474 1416259309 /nfs/dbraw/zinc/25/93/09/1416259309.db2.gz UVBIXZFDCQENJX-ZJOUEHCJSA-N 2 2 384.524 3.050 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000129757474 1416259314 /nfs/dbraw/zinc/25/93/14/1416259314.db2.gz UVBIXZFDCQENJX-ZJOUEHCJSA-N 2 2 384.524 3.050 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129827770 1416270454 /nfs/dbraw/zinc/27/04/54/1416270454.db2.gz UZSYZKJVHCWMKI-WIYYLYMNSA-N 2 2 384.524 3.261 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129827770 1416270457 /nfs/dbraw/zinc/27/04/57/1416270457.db2.gz UZSYZKJVHCWMKI-WIYYLYMNSA-N 2 2 384.524 3.261 20 0 GGADLP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000129916243 1416284252 /nfs/dbraw/zinc/28/42/52/1416284252.db2.gz IZTMEDOZVYBAAO-JTSKRJEESA-N 2 2 398.526 3.058 20 0 GGADLP C[C@@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000129916452 1416284721 /nfs/dbraw/zinc/28/47/21/1416284721.db2.gz IZTMEDOZVYBAAO-VGSWGCGISA-N 2 2 398.526 3.058 20 0 GGADLP C[C@@H]1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000130004467 1416301459 /nfs/dbraw/zinc/30/14/59/1416301459.db2.gz IYYILMDZHFXKHT-XLIONFOSSA-N 2 2 385.512 3.329 20 0 GGADLP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2csc(C3CC3)n2)cc1 ZINC000130190789 1416336079 /nfs/dbraw/zinc/33/60/79/1416336079.db2.gz PORNHBLIQIPKCF-UHFFFAOYSA-N 2 2 384.549 3.136 20 0 GGADLP COc1cc(-c2noc(C[N@H+](C)CCCn3cc[nH+]c3)n2)ccc1OC(F)F ZINC000130398579 1416371368 /nfs/dbraw/zinc/37/13/68/1416371368.db2.gz GNAGPFPKOGOMBR-UHFFFAOYSA-N 2 2 393.394 3.065 20 0 GGADLP COc1cc(-c2noc(C[N@@H+](C)CCCn3cc[nH+]c3)n2)ccc1OC(F)F ZINC000130398579 1416371371 /nfs/dbraw/zinc/37/13/71/1416371371.db2.gz GNAGPFPKOGOMBR-UHFFFAOYSA-N 2 2 393.394 3.065 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000130514691 1416391797 /nfs/dbraw/zinc/39/17/97/1416391797.db2.gz KCASLVVFOJCODD-VIFPVBQESA-N 2 2 390.356 3.236 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000130514691 1416391801 /nfs/dbraw/zinc/39/18/01/1416391801.db2.gz KCASLVVFOJCODD-VIFPVBQESA-N 2 2 390.356 3.236 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc(Cc4ccccc4)s3)CC2)CC1 ZINC000130545539 1416396652 /nfs/dbraw/zinc/39/66/52/1416396652.db2.gz JNUHRJLIUNLOPH-UHFFFAOYSA-N 2 2 398.576 3.022 20 0 GGADLP Cc1ccc(NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(OCC[NH+](C)C)c1 ZINC000130556483 1416398517 /nfs/dbraw/zinc/39/85/17/1416398517.db2.gz UYXAOTNSQJVOPQ-GOSISDBHSA-N 2 2 399.539 3.156 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)CC1 ZINC000130567987 1416400628 /nfs/dbraw/zinc/40/06/28/1416400628.db2.gz LLJJNRPKHYIQQM-OAHLLOKOSA-N 2 2 382.430 3.058 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)CC1 ZINC000130567987 1416400633 /nfs/dbraw/zinc/40/06/33/1416400633.db2.gz LLJJNRPKHYIQQM-OAHLLOKOSA-N 2 2 382.430 3.058 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000130567713 1416400800 /nfs/dbraw/zinc/40/08/00/1416400800.db2.gz LJCYBLMVUFAOED-GOSISDBHSA-N 2 2 395.463 3.077 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000130567713 1416400803 /nfs/dbraw/zinc/40/08/03/1416400803.db2.gz LJCYBLMVUFAOED-GOSISDBHSA-N 2 2 395.463 3.077 20 0 GGADLP Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(OCC[NH+](C)C)c1 ZINC000130684869 1416424186 /nfs/dbraw/zinc/42/41/86/1416424186.db2.gz XESNZQPOQAYFTK-PKOBYXMFSA-N 2 2 385.512 3.247 20 0 GGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178522536 1429096569 /nfs/dbraw/zinc/09/65/69/1429096569.db2.gz KVZGCVMLRZOMTP-LBPRGKRZSA-N 2 2 394.409 3.387 20 0 GGADLP CC(C)COC(=O)N1CCC([NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000131128292 1416513188 /nfs/dbraw/zinc/51/31/88/1416513188.db2.gz KEVLEWNLXABTPL-GOSISDBHSA-N 2 2 388.556 3.454 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccco1 ZINC000131203024 1416523052 /nfs/dbraw/zinc/52/30/52/1416523052.db2.gz OKHDJQVHOFUNJW-IRFCIJBXSA-N 2 2 393.491 3.307 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000131224190 1416526123 /nfs/dbraw/zinc/52/61/23/1416526123.db2.gz RSFNAWSSBHREOC-IBGZPJMESA-N 2 2 395.551 3.304 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000131224190 1416526124 /nfs/dbraw/zinc/52/61/24/1416526124.db2.gz RSFNAWSSBHREOC-IBGZPJMESA-N 2 2 395.551 3.304 20 0 GGADLP Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)c1 ZINC000131227349 1416526489 /nfs/dbraw/zinc/52/64/89/1416526489.db2.gz ASVRGYCDJQQVTR-GOSISDBHSA-N 2 2 395.507 3.454 20 0 GGADLP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)c1 ZINC000131227349 1416526493 /nfs/dbraw/zinc/52/64/93/1416526493.db2.gz ASVRGYCDJQQVTR-GOSISDBHSA-N 2 2 395.507 3.454 20 0 GGADLP COc1ccc([C@H](CNC(=O)N(C)CCCn2cc[nH+]c2)[NH+]2CCCCC2)cc1 ZINC000131226464 1416526522 /nfs/dbraw/zinc/52/65/22/1416526522.db2.gz MGPXSNPBAMLTCM-NRFANRHFSA-N 2 2 399.539 3.150 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131249272 1416529524 /nfs/dbraw/zinc/52/95/24/1416529524.db2.gz SJPKRXJKVBTVBD-ZIAGYGMSSA-N 2 2 378.879 3.494 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131249272 1416529528 /nfs/dbraw/zinc/52/95/28/1416529528.db2.gz SJPKRXJKVBTVBD-ZIAGYGMSSA-N 2 2 378.879 3.494 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000131263249 1416531663 /nfs/dbraw/zinc/53/16/63/1416531663.db2.gz BJMDDSTWCNRBOO-SJLPKXTDSA-N 2 2 381.442 3.297 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000131263249 1416531665 /nfs/dbraw/zinc/53/16/65/1416531665.db2.gz BJMDDSTWCNRBOO-SJLPKXTDSA-N 2 2 381.442 3.297 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000131285807 1416534988 /nfs/dbraw/zinc/53/49/88/1416534988.db2.gz NHZUUMGGOMGJNZ-CYBMUJFWSA-N 2 2 392.297 3.366 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000131285807 1416534994 /nfs/dbraw/zinc/53/49/94/1416534994.db2.gz NHZUUMGGOMGJNZ-CYBMUJFWSA-N 2 2 392.297 3.366 20 0 GGADLP COC(=O)c1ccc(OCC[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000131352010 1416543988 /nfs/dbraw/zinc/54/39/88/1416543988.db2.gz QYGHIRXXSVZBBX-HNNXBMFYSA-N 2 2 391.899 3.194 20 0 GGADLP COC(=O)c1ccc(OCC[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000131352010 1416543991 /nfs/dbraw/zinc/54/39/91/1416543991.db2.gz QYGHIRXXSVZBBX-HNNXBMFYSA-N 2 2 391.899 3.194 20 0 GGADLP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131379167 1416548173 /nfs/dbraw/zinc/54/81/73/1416548173.db2.gz FYAAKHJJBQCTQA-UYAOXDASSA-N 2 2 398.551 3.341 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000131382208 1416548537 /nfs/dbraw/zinc/54/85/37/1416548537.db2.gz JRFFORXZSFZWTM-ICSRJNTNSA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000131382208 1416548542 /nfs/dbraw/zinc/54/85/42/1416548542.db2.gz JRFFORXZSFZWTM-ICSRJNTNSA-N 2 2 379.504 3.268 20 0 GGADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000131390183 1416549649 /nfs/dbraw/zinc/54/96/49/1416549649.db2.gz VZYHKCUXKQSQFH-VGSWGCGISA-N 2 2 386.515 3.327 20 0 GGADLP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000131390183 1416549652 /nfs/dbraw/zinc/54/96/52/1416549652.db2.gz VZYHKCUXKQSQFH-VGSWGCGISA-N 2 2 386.515 3.327 20 0 GGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC000131391698 1416550090 /nfs/dbraw/zinc/55/00/90/1416550090.db2.gz GPJLDCCODGVOBN-JOCHJYFZSA-N 2 2 382.483 3.081 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000131641795 1416589335 /nfs/dbraw/zinc/58/93/35/1416589335.db2.gz YZIBDFLJJOIHAZ-MRXNPFEDSA-N 2 2 394.441 3.055 20 0 GGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1NC(C)=O ZINC000132046954 1416682334 /nfs/dbraw/zinc/68/23/34/1416682334.db2.gz MINAAIQCNJRKBT-UZLBHIALSA-N 2 2 382.508 3.049 20 0 GGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1NC(C)=O ZINC000132046954 1416682346 /nfs/dbraw/zinc/68/23/46/1416682346.db2.gz MINAAIQCNJRKBT-UZLBHIALSA-N 2 2 382.508 3.049 20 0 GGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000132136872 1416705137 /nfs/dbraw/zinc/70/51/37/1416705137.db2.gz POJSOIJRBIXQOC-QGZVFWFLSA-N 2 2 383.517 3.228 20 0 GGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000132136664 1416705259 /nfs/dbraw/zinc/70/52/59/1416705259.db2.gz POJSOIJRBIXQOC-KRWDZBQOSA-N 2 2 383.517 3.228 20 0 GGADLP C[C@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000132189243 1416714657 /nfs/dbraw/zinc/71/46/57/1416714657.db2.gz KYAOGXDXRFOSMD-KRWDZBQOSA-N 2 2 398.532 3.196 20 0 GGADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000132200029 1416715954 /nfs/dbraw/zinc/71/59/54/1416715954.db2.gz UXULVCRERNLVCE-QGZVFWFLSA-N 2 2 386.927 3.127 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c1C ZINC000132542877 1416781748 /nfs/dbraw/zinc/78/17/48/1416781748.db2.gz PQBVRBZDSKATOS-KRWDZBQOSA-N 2 2 397.523 3.127 20 0 GGADLP O=C(C[N@@H+]1CCc2ccsc2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000132761296 1416812229 /nfs/dbraw/zinc/81/22/29/1416812229.db2.gz AHHRQDHJIMKWMX-UHFFFAOYSA-N 2 2 387.574 3.294 20 0 GGADLP O=C(C[N@H+]1CCc2ccsc2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000132761296 1416812231 /nfs/dbraw/zinc/81/22/31/1416812231.db2.gz AHHRQDHJIMKWMX-UHFFFAOYSA-N 2 2 387.574 3.294 20 0 GGADLP CC1CC[NH+](CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000132783501 1416814709 /nfs/dbraw/zinc/81/47/09/1416814709.db2.gz GCFRKJLBVKTSAE-LEWJYISDSA-N 2 2 381.524 3.143 20 0 GGADLP CN(C)[C@@H](C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)Cc1ccccc1 ZINC000132940299 1416833919 /nfs/dbraw/zinc/83/39/19/1416833919.db2.gz FNSAKUSKNCBAIL-XMMPIXPASA-N 2 2 380.580 3.484 20 0 GGADLP CCCn1nc(C)c(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)c1C ZINC000133042242 1416845202 /nfs/dbraw/zinc/84/52/02/1416845202.db2.gz YGIFZISYCAENFF-UHFFFAOYSA-N 2 2 383.584 3.337 20 0 GGADLP O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000133630623 1416925624 /nfs/dbraw/zinc/92/56/24/1416925624.db2.gz XVXUYQYSKRKBBK-PKTZIBPZSA-N 2 2 393.531 3.383 20 0 GGADLP COc1cccc([C@H](CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)c1 ZINC000133760947 1416958050 /nfs/dbraw/zinc/95/80/50/1416958050.db2.gz HXRWZOLFNMEKKO-TZYHBYERSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)[NH+](C)C)c1 ZINC000133760947 1416958062 /nfs/dbraw/zinc/95/80/62/1416958062.db2.gz HXRWZOLFNMEKKO-TZYHBYERSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)N(C)C)c1 ZINC000133760947 1416958071 /nfs/dbraw/zinc/95/80/71/1416958071.db2.gz HXRWZOLFNMEKKO-TZYHBYERSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)N(C)C)c1 ZINC000133760947 1416958084 /nfs/dbraw/zinc/95/80/84/1416958084.db2.gz HXRWZOLFNMEKKO-TZYHBYERSA-N 2 2 382.552 3.193 20 0 GGADLP Cn1c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000134092864 1417020951 /nfs/dbraw/zinc/02/09/51/1417020951.db2.gz SMILFWVXHZZNLB-UHFFFAOYSA-N 2 2 396.457 3.136 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3ccccc3)c3ccc(F)cc3)cn2)CC1 ZINC000134242300 1417043078 /nfs/dbraw/zinc/04/30/78/1417043078.db2.gz XJBOOVNPIRDIBO-JOCHJYFZSA-N 2 2 391.494 3.247 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000178731432 1429154126 /nfs/dbraw/zinc/15/41/26/1429154126.db2.gz PBRZDZPMIYZWSM-SFHVURJKSA-N 2 2 376.545 3.216 20 0 GGADLP COc1ccc2oc([C@H](C)[NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)c(C)c2c1 ZINC000134297083 1417051991 /nfs/dbraw/zinc/05/19/91/1417051991.db2.gz WRNLKGHYICPTIB-INIZCTEOSA-N 2 2 395.507 3.142 20 0 GGADLP CN(C(=O)Nc1cccc(F)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000134313994 1417054388 /nfs/dbraw/zinc/05/43/88/1417054388.db2.gz OVZOMOJSUZCMDI-SJORKVTESA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1cccc(F)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000134313994 1417054392 /nfs/dbraw/zinc/05/43/92/1417054392.db2.gz OVZOMOJSUZCMDI-SJORKVTESA-N 2 2 377.508 3.022 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+]C(c3cccs3)c3cccs3)cn2)CC1 ZINC000134347236 1417058419 /nfs/dbraw/zinc/05/84/19/1417058419.db2.gz MMIJOGNDWGXQCY-UHFFFAOYSA-N 2 2 385.562 3.231 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3ccccc3)c3cccc(F)c3)cn2)CC1 ZINC000134405396 1417065376 /nfs/dbraw/zinc/06/53/76/1417065376.db2.gz IGUXJIAZUPROEY-QFIPXVFZSA-N 2 2 391.494 3.247 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000178731432 1429154111 /nfs/dbraw/zinc/15/41/11/1429154111.db2.gz PBRZDZPMIYZWSM-SFHVURJKSA-N 2 2 376.545 3.216 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCCCNc1cccc[nH+]1 ZINC000134818766 1417131478 /nfs/dbraw/zinc/13/14/78/1417131478.db2.gz PQIWQYYWMCKNBM-OALUTQOASA-N 2 2 395.551 3.339 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134862409 1417135557 /nfs/dbraw/zinc/13/55/57/1417135557.db2.gz WOKMXWIVIZKBTN-XAUMDUMWSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134862409 1417135558 /nfs/dbraw/zinc/13/55/58/1417135558.db2.gz WOKMXWIVIZKBTN-XAUMDUMWSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134862409 1417135562 /nfs/dbraw/zinc/13/55/62/1417135562.db2.gz WOKMXWIVIZKBTN-XAUMDUMWSA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)cc1 ZINC000134862409 1417135565 /nfs/dbraw/zinc/13/55/65/1417135565.db2.gz WOKMXWIVIZKBTN-XAUMDUMWSA-N 2 2 375.944 3.466 20 0 GGADLP CSc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134865149 1417135671 /nfs/dbraw/zinc/13/56/71/1417135671.db2.gz VLDNDCOFKIRJHF-WIYYLYMNSA-N 2 2 387.593 3.316 20 0 GGADLP CSc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134865149 1417135675 /nfs/dbraw/zinc/13/56/75/1417135675.db2.gz VLDNDCOFKIRJHF-WIYYLYMNSA-N 2 2 387.593 3.316 20 0 GGADLP CSc1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134865149 1417135681 /nfs/dbraw/zinc/13/56/81/1417135681.db2.gz VLDNDCOFKIRJHF-WIYYLYMNSA-N 2 2 387.593 3.316 20 0 GGADLP CSc1ccc(CN(C)C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134865149 1417135686 /nfs/dbraw/zinc/13/56/86/1417135686.db2.gz VLDNDCOFKIRJHF-WIYYLYMNSA-N 2 2 387.593 3.316 20 0 GGADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000134884961 1417139736 /nfs/dbraw/zinc/13/97/36/1417139736.db2.gz HRROUOHSIFWKOB-VWNXMTODSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000134884961 1417139739 /nfs/dbraw/zinc/13/97/39/1417139739.db2.gz HRROUOHSIFWKOB-VWNXMTODSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000134884961 1417139743 /nfs/dbraw/zinc/13/97/43/1417139743.db2.gz HRROUOHSIFWKOB-VWNXMTODSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000134884961 1417139746 /nfs/dbraw/zinc/13/97/46/1417139746.db2.gz HRROUOHSIFWKOB-VWNXMTODSA-N 2 2 395.591 3.416 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887455 1417140340 /nfs/dbraw/zinc/14/03/40/1417140340.db2.gz NSXQZHZNMATYPI-QRWLVFNGSA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887455 1417140344 /nfs/dbraw/zinc/14/03/44/1417140344.db2.gz NSXQZHZNMATYPI-QRWLVFNGSA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887455 1417140350 /nfs/dbraw/zinc/14/03/50/1417140350.db2.gz NSXQZHZNMATYPI-QRWLVFNGSA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134887455 1417140355 /nfs/dbraw/zinc/14/03/55/1417140355.db2.gz NSXQZHZNMATYPI-QRWLVFNGSA-N 2 2 393.934 3.386 20 0 GGADLP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc(Br)c1 ZINC000134913576 1417143984 /nfs/dbraw/zinc/14/39/84/1417143984.db2.gz CNOKOWSTEGTMBZ-ATZDWAIDSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1cccc(Br)c1 ZINC000134913576 1417143988 /nfs/dbraw/zinc/14/39/88/1417143988.db2.gz CNOKOWSTEGTMBZ-ATZDWAIDSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000134913576 1417143992 /nfs/dbraw/zinc/14/39/92/1417143992.db2.gz CNOKOWSTEGTMBZ-ATZDWAIDSA-N 2 2 379.342 3.431 20 0 GGADLP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000134913576 1417143996 /nfs/dbraw/zinc/14/39/96/1417143996.db2.gz CNOKOWSTEGTMBZ-ATZDWAIDSA-N 2 2 379.342 3.431 20 0 GGADLP CCCOc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134925414 1417146601 /nfs/dbraw/zinc/14/66/01/1417146601.db2.gz SZAAKLFOPIFQAB-KNQAVFIVSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134925414 1417146604 /nfs/dbraw/zinc/14/66/04/1417146604.db2.gz SZAAKLFOPIFQAB-KNQAVFIVSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134925414 1417146607 /nfs/dbraw/zinc/14/66/07/1417146607.db2.gz SZAAKLFOPIFQAB-KNQAVFIVSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134925414 1417146610 /nfs/dbraw/zinc/14/66/10/1417146610.db2.gz SZAAKLFOPIFQAB-KNQAVFIVSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945432 1417149855 /nfs/dbraw/zinc/14/98/55/1417149855.db2.gz WSXHHAKUPLUQJM-NFBKMPQASA-N 2 2 399.579 3.178 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945432 1417149860 /nfs/dbraw/zinc/14/98/60/1417149860.db2.gz WSXHHAKUPLUQJM-NFBKMPQASA-N 2 2 399.579 3.178 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134945432 1417149867 /nfs/dbraw/zinc/14/98/67/1417149867.db2.gz WSXHHAKUPLUQJM-NFBKMPQASA-N 2 2 399.579 3.178 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134945432 1417149875 /nfs/dbraw/zinc/14/98/75/1417149875.db2.gz WSXHHAKUPLUQJM-NFBKMPQASA-N 2 2 399.579 3.178 20 0 GGADLP Cc1ccc(-c2cncc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)cc1 ZINC000135196975 1417186354 /nfs/dbraw/zinc/18/63/54/1417186354.db2.gz AOIKBKBWONFBDV-UHFFFAOYSA-N 2 2 392.547 3.345 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3cccc(Cl)c3)CC2)CC1 ZINC000135424224 1417218209 /nfs/dbraw/zinc/21/82/09/1417218209.db2.gz QSOREEWOESBLCY-UHFFFAOYSA-N 2 2 377.960 3.292 20 0 GGADLP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000135615392 1417247060 /nfs/dbraw/zinc/24/70/60/1417247060.db2.gz GBIYSIDYUVMVSX-UHFFFAOYSA-N 2 2 376.460 3.081 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000135968201 1417282612 /nfs/dbraw/zinc/28/26/12/1417282612.db2.gz DJSVOCUGCLAHMX-CEXWTWQISA-N 2 2 380.536 3.240 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000135968201 1417282620 /nfs/dbraw/zinc/28/26/20/1417282620.db2.gz DJSVOCUGCLAHMX-CEXWTWQISA-N 2 2 380.536 3.240 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000136086423 1417290687 /nfs/dbraw/zinc/29/06/87/1417290687.db2.gz RJPAAWFCPFETMV-KSSFIOAISA-N 2 2 378.879 3.217 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000136086423 1417290695 /nfs/dbraw/zinc/29/06/95/1417290695.db2.gz RJPAAWFCPFETMV-KSSFIOAISA-N 2 2 378.879 3.217 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000136375966 1417312334 /nfs/dbraw/zinc/31/23/34/1417312334.db2.gz WKQGYDJPOVFYCV-FPOVZHCZSA-N 2 2 397.567 3.467 20 0 GGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000136573938 1417327790 /nfs/dbraw/zinc/32/77/90/1417327790.db2.gz PVGNNNJVHRIDLT-YADHBBJMSA-N 2 2 375.532 3.283 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136577512 1417328675 /nfs/dbraw/zinc/32/86/75/1417328675.db2.gz QCUJCFWBGRJXDS-LJQANCHMSA-N 2 2 397.567 3.426 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000136577524 1417328724 /nfs/dbraw/zinc/32/87/24/1417328724.db2.gz RWSRXGULORVUHY-ROUUACIJSA-N 2 2 397.357 3.315 20 0 GGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1OC(F)F ZINC000136585477 1417329247 /nfs/dbraw/zinc/32/92/47/1417329247.db2.gz SFJANPAOAPSUJQ-IRXDYDNUSA-N 2 2 384.467 3.154 20 0 GGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1OC(C)C ZINC000136582149 1417329266 /nfs/dbraw/zinc/32/92/66/1417329266.db2.gz WRYKKKSMORFFOF-PMACEKPBSA-N 2 2 376.541 3.340 20 0 GGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1OC(F)F ZINC000136585545 1417329722 /nfs/dbraw/zinc/32/97/22/1417329722.db2.gz SFJANPAOAPSUJQ-DLBZAZTESA-N 2 2 384.467 3.154 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)CC(C)C ZINC000136698424 1417339908 /nfs/dbraw/zinc/33/99/08/1417339908.db2.gz XLRTUMNHOJOXHY-RBUKOAKNSA-N 2 2 377.577 3.141 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000136829924 1417348350 /nfs/dbraw/zinc/34/83/50/1417348350.db2.gz HTHUBRZNMDNZID-GOSISDBHSA-N 2 2 375.561 3.039 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000136829924 1417348355 /nfs/dbraw/zinc/34/83/55/1417348355.db2.gz HTHUBRZNMDNZID-GOSISDBHSA-N 2 2 375.561 3.039 20 0 GGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000136915815 1417355001 /nfs/dbraw/zinc/35/50/01/1417355001.db2.gz MFFUPXLEDFKGJZ-UHFFFAOYSA-N 2 2 383.458 3.224 20 0 GGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCN2CCCC2=O)CC1 ZINC000136915815 1417355008 /nfs/dbraw/zinc/35/50/08/1417355008.db2.gz MFFUPXLEDFKGJZ-UHFFFAOYSA-N 2 2 383.458 3.224 20 0 GGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000136924294 1417355743 /nfs/dbraw/zinc/35/57/43/1417355743.db2.gz HOZWBQJFKPKCGZ-UHFFFAOYSA-N 2 2 399.501 3.324 20 0 GGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCCN2CCOCC2)CC1 ZINC000136924294 1417355750 /nfs/dbraw/zinc/35/57/50/1417355750.db2.gz HOZWBQJFKPKCGZ-UHFFFAOYSA-N 2 2 399.501 3.324 20 0 GGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000136924294 1417355756 /nfs/dbraw/zinc/35/57/56/1417355756.db2.gz HOZWBQJFKPKCGZ-UHFFFAOYSA-N 2 2 399.501 3.324 20 0 GGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000136924294 1417355766 /nfs/dbraw/zinc/35/57/66/1417355766.db2.gz HOZWBQJFKPKCGZ-UHFFFAOYSA-N 2 2 399.501 3.324 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000136986729 1417360147 /nfs/dbraw/zinc/36/01/47/1417360147.db2.gz LHQNMFBIKNZBNB-SFTDATJTSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000136986729 1417360155 /nfs/dbraw/zinc/36/01/55/1417360155.db2.gz LHQNMFBIKNZBNB-SFTDATJTSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000136986647 1417360279 /nfs/dbraw/zinc/36/02/79/1417360279.db2.gz LHQNMFBIKNZBNB-LEWJYISDSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000136986647 1417360286 /nfs/dbraw/zinc/36/02/86/1417360286.db2.gz LHQNMFBIKNZBNB-LEWJYISDSA-N 2 2 395.551 3.049 20 0 GGADLP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)CC1 ZINC000137040497 1417364500 /nfs/dbraw/zinc/36/45/00/1417364500.db2.gz SOSZIDAFMRKOMB-UHFFFAOYSA-N 2 2 383.540 3.347 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](CCCC(=O)Nc3c(C)cccc3C)CC2)c1 ZINC000137100233 1417367728 /nfs/dbraw/zinc/36/77/28/1417367728.db2.gz HOKQRRMKRRXENF-UHFFFAOYSA-N 2 2 382.508 3.248 20 0 GGADLP CC(C)n1nccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178813840 1429178871 /nfs/dbraw/zinc/17/88/71/1429178871.db2.gz QGOWXFKYJYVZDO-RTBURBONSA-N 2 2 390.576 3.265 20 0 GGADLP CC(C)n1nccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178813840 1429178880 /nfs/dbraw/zinc/17/88/80/1429178880.db2.gz QGOWXFKYJYVZDO-RTBURBONSA-N 2 2 390.576 3.265 20 0 GGADLP CN(C(=O)NCCc1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178814034 1429179086 /nfs/dbraw/zinc/17/90/86/1429179086.db2.gz YKHKBZKFUQCMQY-UXHICEINSA-N 2 2 392.613 3.269 20 0 GGADLP CN(C(=O)NCCc1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178814034 1429179100 /nfs/dbraw/zinc/17/91/00/1429179100.db2.gz YKHKBZKFUQCMQY-UXHICEINSA-N 2 2 392.613 3.269 20 0 GGADLP CC1CC[NH+]([C@@H](CNC(=O)N(C)CCCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000137350390 1417381308 /nfs/dbraw/zinc/38/13/08/1417381308.db2.gz NUGPCCCLIYGXRZ-NRFANRHFSA-N 2 2 383.540 3.388 20 0 GGADLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2nnc(CC(C)C)s2)CC1 ZINC000137400516 1417383577 /nfs/dbraw/zinc/38/35/77/1417383577.db2.gz SPPMEEWYRAJFKM-UHFFFAOYSA-N 2 2 381.590 3.119 20 0 GGADLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2nnc(CC(C)C)s2)CC1 ZINC000137400516 1417383582 /nfs/dbraw/zinc/38/35/82/1417383582.db2.gz SPPMEEWYRAJFKM-UHFFFAOYSA-N 2 2 381.590 3.119 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000138917162 1417441784 /nfs/dbraw/zinc/44/17/84/1417441784.db2.gz HNKSHICOVNONQU-QFIPXVFZSA-N 2 2 395.503 3.000 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1ccc(O)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000138917162 1417441789 /nfs/dbraw/zinc/44/17/89/1417441789.db2.gz HNKSHICOVNONQU-QFIPXVFZSA-N 2 2 395.503 3.000 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000143382770 1417629343 /nfs/dbraw/zinc/62/93/43/1417629343.db2.gz ZNEZJIPRUHCBPE-OAQYLSRUSA-N 2 2 378.451 3.292 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000143382770 1417629353 /nfs/dbraw/zinc/62/93/53/1417629353.db2.gz ZNEZJIPRUHCBPE-OAQYLSRUSA-N 2 2 378.451 3.292 20 0 GGADLP COc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000144069305 1417655348 /nfs/dbraw/zinc/65/53/48/1417655348.db2.gz HTSHDNDQGNMXEX-YADHBBJMSA-N 2 2 381.520 3.251 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCC1 ZINC000144133502 1417657374 /nfs/dbraw/zinc/65/73/74/1417657374.db2.gz JRQDUZJLUYYTCO-RBBKRZOGSA-N 2 2 381.520 3.251 20 0 GGADLP CN(C(=O)CCc1cccs1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178876714 1429208141 /nfs/dbraw/zinc/20/81/41/1429208141.db2.gz UPTBENWFXGTXPR-UXHICEINSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)CCc1cccs1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178876714 1429208151 /nfs/dbraw/zinc/20/81/51/1429208151.db2.gz UPTBENWFXGTXPR-UXHICEINSA-N 2 2 377.598 3.476 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC(C)(C)c4ccccc43)CC2)CC1 ZINC000151005668 1417853842 /nfs/dbraw/zinc/85/38/42/1417853842.db2.gz ZJILQSRISMNNPZ-NRFANRHFSA-N 2 2 384.568 3.267 20 0 GGADLP COc1cc([C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1S(C)(=O)=O ZINC000151332154 1417928256 /nfs/dbraw/zinc/92/82/56/1417928256.db2.gz CWFBTUCSQFVRKN-MRXNPFEDSA-N 2 2 399.516 3.194 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000151331934 1417928288 /nfs/dbraw/zinc/92/82/88/1417928288.db2.gz RAMFZJLDLZHXGK-INIZCTEOSA-N 2 2 384.505 3.154 20 0 GGADLP CN(C(=O)NCCc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178929342 1429222913 /nfs/dbraw/zinc/22/29/13/1429222913.db2.gz JIXLRLVUNGCHAG-YADHBBJMSA-N 2 2 386.584 3.208 20 0 GGADLP CN(C(=O)NCCc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178929342 1429222919 /nfs/dbraw/zinc/22/29/19/1429222919.db2.gz JIXLRLVUNGCHAG-YADHBBJMSA-N 2 2 386.584 3.208 20 0 GGADLP CN(C(=O)NCc1ccccc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178929165 1429223122 /nfs/dbraw/zinc/22/31/22/1429223122.db2.gz DAIKUHPJLDFYKB-RTWAWAEBSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1ccccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178929165 1429223130 /nfs/dbraw/zinc/22/31/30/1429223130.db2.gz DAIKUHPJLDFYKB-RTWAWAEBSA-N 2 2 390.547 3.304 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000151511430 1418009723 /nfs/dbraw/zinc/00/97/23/1418009723.db2.gz FQORHZOSWOZJNN-FQEVSTJZSA-N 2 2 395.551 3.049 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H](OC(C)(C)C)c3ccccc3)CC2)CC1 ZINC000151599360 1418036130 /nfs/dbraw/zinc/03/61/30/1418036130.db2.gz OVPUCYBWJXFKCZ-OAQYLSRUSA-N 2 2 387.568 3.218 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000151650040 1418049855 /nfs/dbraw/zinc/04/98/55/1418049855.db2.gz WKVSQCDWSZFTMW-QYZOEREBSA-N 2 2 385.512 3.296 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151649655 1418050102 /nfs/dbraw/zinc/05/01/02/1418050102.db2.gz QBQRZHWACQYOAJ-MOPGFXCFSA-N 2 2 384.480 3.065 20 0 GGADLP CC(C)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000151669399 1418056177 /nfs/dbraw/zinc/05/61/77/1418056177.db2.gz NZPAVXYTYAEVFG-UHFFFAOYSA-N 2 2 397.567 3.094 20 0 GGADLP CC(C)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nn1-c1ccccc1 ZINC000151669399 1418056180 /nfs/dbraw/zinc/05/61/80/1418056180.db2.gz NZPAVXYTYAEVFG-UHFFFAOYSA-N 2 2 397.567 3.094 20 0 GGADLP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151707457 1418068110 /nfs/dbraw/zinc/06/81/10/1418068110.db2.gz MVWNFHMFNWTJLW-MSOLQXFVSA-N 2 2 386.521 3.143 20 0 GGADLP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1SC ZINC000151797135 1418089085 /nfs/dbraw/zinc/08/90/85/1418089085.db2.gz DOVZWUQJLRPLHJ-OXJNMPFZSA-N 2 2 386.561 3.487 20 0 GGADLP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1SC ZINC000151797135 1418089089 /nfs/dbraw/zinc/08/90/89/1418089089.db2.gz DOVZWUQJLRPLHJ-OXJNMPFZSA-N 2 2 386.561 3.487 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000152046648 1418129706 /nfs/dbraw/zinc/12/97/06/1418129706.db2.gz ZQVAMOKJOFAHPH-KNQAVFIVSA-N 2 2 395.551 3.449 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)Cc1ccccc1 ZINC000152150093 1418158409 /nfs/dbraw/zinc/15/84/09/1418158409.db2.gz KINVENGOKZPETP-ILWGZMRPSA-N 2 2 397.567 3.429 20 0 GGADLP COc1cc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1S(C)(=O)=O ZINC000152240332 1418181232 /nfs/dbraw/zinc/18/12/32/1418181232.db2.gz USHBGLGDDOYXSU-OAHLLOKOSA-N 2 2 385.489 3.135 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(Cl)nc1 ZINC000179114943 1429267762 /nfs/dbraw/zinc/26/77/62/1429267762.db2.gz WXPMXXGWPKJDFG-INIZCTEOSA-N 2 2 375.900 3.297 20 0 GGADLP COCc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000179205259 1429294517 /nfs/dbraw/zinc/29/45/17/1429294517.db2.gz PNOSDWHFPHPLJV-QHCPKHFHSA-N 2 2 394.563 3.262 20 0 GGADLP COCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c1 ZINC000179205259 1429294525 /nfs/dbraw/zinc/29/45/25/1429294525.db2.gz PNOSDWHFPHPLJV-QHCPKHFHSA-N 2 2 394.563 3.262 20 0 GGADLP C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000179344739 1429336883 /nfs/dbraw/zinc/33/68/83/1429336883.db2.gz XJLZCWGSHAFGKZ-VGSWGCGISA-N 2 2 384.568 3.168 20 0 GGADLP C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000179344659 1429337031 /nfs/dbraw/zinc/33/70/31/1429337031.db2.gz XJLZCWGSHAFGKZ-VGOFRKELSA-N 2 2 384.568 3.168 20 0 GGADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(C)ccc1OC ZINC000179417580 1429366592 /nfs/dbraw/zinc/36/65/92/1429366592.db2.gz TWYTXNXJMYSHHK-HXUWFJFHSA-N 2 2 396.535 3.178 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000179502293 1429398738 /nfs/dbraw/zinc/39/87/38/1429398738.db2.gz IAUHLCPOWWTRMT-UAOJZALGSA-N 2 2 377.891 3.408 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000179502293 1429398746 /nfs/dbraw/zinc/39/87/46/1429398746.db2.gz IAUHLCPOWWTRMT-UAOJZALGSA-N 2 2 377.891 3.408 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000179521743 1429408366 /nfs/dbraw/zinc/40/83/66/1429408366.db2.gz VRHOJZPSBIEEPI-YJBOKZPZSA-N 2 2 376.451 3.121 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000179521743 1429408372 /nfs/dbraw/zinc/40/83/72/1429408372.db2.gz VRHOJZPSBIEEPI-YJBOKZPZSA-N 2 2 376.451 3.121 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3ccncc3)CC2)cc1 ZINC000179569232 1429440648 /nfs/dbraw/zinc/44/06/48/1429440648.db2.gz XDIOMENLYZIOGA-HSZRJFAPSA-N 2 2 392.547 3.261 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3c3ccncc3)CC2)cc1 ZINC000179569232 1429440653 /nfs/dbraw/zinc/44/06/53/1429440653.db2.gz XDIOMENLYZIOGA-HSZRJFAPSA-N 2 2 392.547 3.261 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3c3ccncc3)CC2)cc1 ZINC000179569232 1429440658 /nfs/dbraw/zinc/44/06/58/1429440658.db2.gz XDIOMENLYZIOGA-HSZRJFAPSA-N 2 2 392.547 3.261 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCC[C@@H]3c3ccncc3)CC2)cc1 ZINC000179569232 1429440663 /nfs/dbraw/zinc/44/06/63/1429440663.db2.gz XDIOMENLYZIOGA-HSZRJFAPSA-N 2 2 392.547 3.261 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000179659785 1429494820 /nfs/dbraw/zinc/49/48/20/1429494820.db2.gz SIOXEVGPYMXADS-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000179659785 1429494825 /nfs/dbraw/zinc/49/48/25/1429494825.db2.gz SIOXEVGPYMXADS-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000179659785 1429494830 /nfs/dbraw/zinc/49/48/30/1429494830.db2.gz SIOXEVGPYMXADS-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3ccncc3)CC2)cc1 ZINC000179659785 1429494835 /nfs/dbraw/zinc/49/48/35/1429494835.db2.gz SIOXEVGPYMXADS-FQEVSTJZSA-N 2 2 380.536 3.117 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@@H]3CCC[NH+](C)C3)ccc2c1 ZINC000152394654 1422091835 /nfs/dbraw/zinc/09/18/35/1422091835.db2.gz LLRHPYNPOWPRCY-UYAOXDASSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)ccc2c1 ZINC000152394654 1422091841 /nfs/dbraw/zinc/09/18/41/1422091841.db2.gz LLRHPYNPOWPRCY-UYAOXDASSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000152394654 1422091847 /nfs/dbraw/zinc/09/18/47/1422091847.db2.gz LLRHPYNPOWPRCY-UYAOXDASSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000152394654 1422091853 /nfs/dbraw/zinc/09/18/53/1422091853.db2.gz LLRHPYNPOWPRCY-UYAOXDASSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)C[C@@H]3CCC[NH+](C)C3)ccc2c1 ZINC000152394561 1422092047 /nfs/dbraw/zinc/09/20/47/1422092047.db2.gz LLRHPYNPOWPRCY-AZUAARDMSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)ccc2c1 ZINC000152394561 1422092055 /nfs/dbraw/zinc/09/20/55/1422092055.db2.gz LLRHPYNPOWPRCY-AZUAARDMSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+](C)C[C@@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000152394561 1422092060 /nfs/dbraw/zinc/09/20/60/1422092060.db2.gz LLRHPYNPOWPRCY-AZUAARDMSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000152394561 1422092067 /nfs/dbraw/zinc/09/20/67/1422092067.db2.gz LLRHPYNPOWPRCY-AZUAARDMSA-N 2 2 397.563 3.469 20 0 GGADLP CCOc1ccccc1[C@H](CC)[NH2+][C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000179748366 1429535873 /nfs/dbraw/zinc/53/58/73/1429535873.db2.gz HJMQGHLKRDWODN-ICSRJNTNSA-N 2 2 396.535 3.258 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3nncn3-c3ccccc3)CC2)cc1 ZINC000152679691 1422205239 /nfs/dbraw/zinc/20/52/39/1422205239.db2.gz NQYJBVFNODBWNG-UHFFFAOYSA-N 2 2 376.508 3.092 20 0 GGADLP COc1ccc([C@H](C)[NH2+]CCc2cn3c([nH+]2)CCCC3)cc1Cn1cccn1 ZINC000152805363 1422255596 /nfs/dbraw/zinc/25/55/96/1422255596.db2.gz GLPPZEPCNRAGBA-KRWDZBQOSA-N 2 2 379.508 3.366 20 0 GGADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152993489 1422319887 /nfs/dbraw/zinc/31/98/87/1422319887.db2.gz JMFBSMKHBGIFSU-OAQYLSRUSA-N 2 2 395.551 3.214 20 0 GGADLP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152993601 1422320578 /nfs/dbraw/zinc/32/05/78/1422320578.db2.gz JMFBSMKHBGIFSU-NRFANRHFSA-N 2 2 395.551 3.214 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000153055808 1422341037 /nfs/dbraw/zinc/34/10/37/1422341037.db2.gz JDLQAWZEYLIEGU-LEWJYISDSA-N 2 2 392.507 3.396 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)o1 ZINC000153054642 1422341158 /nfs/dbraw/zinc/34/11/58/1422341158.db2.gz PJKUTOPQXATJND-QXAKKESOSA-N 2 2 385.512 3.214 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)o1 ZINC000153054738 1422341187 /nfs/dbraw/zinc/34/11/87/1422341187.db2.gz PJKUTOPQXATJND-YTQUADARSA-N 2 2 385.512 3.214 20 0 GGADLP CCC[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000153198804 1422389814 /nfs/dbraw/zinc/38/98/14/1422389814.db2.gz JILLZJKJIUARQG-SFTDATJTSA-N 2 2 381.524 3.285 20 0 GGADLP C[C@@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000153224104 1422399706 /nfs/dbraw/zinc/39/97/06/1422399706.db2.gz ZKCSPBWJCANWFL-WIYYLYMNSA-N 2 2 399.539 3.006 20 0 GGADLP C[C@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000153223987 1422399919 /nfs/dbraw/zinc/39/99/19/1422399919.db2.gz ZKCSPBWJCANWFL-RXVVDRJESA-N 2 2 399.539 3.006 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000153246348 1422415582 /nfs/dbraw/zinc/41/55/82/1422415582.db2.gz YIHXAJVLCSATDH-QPPBQGQZSA-N 3 2 387.612 3.420 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000153246348 1422415603 /nfs/dbraw/zinc/41/56/03/1422415603.db2.gz YIHXAJVLCSATDH-QPPBQGQZSA-N 3 2 387.612 3.420 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000153246453 1422415856 /nfs/dbraw/zinc/41/58/56/1422415856.db2.gz YIHXAJVLCSATDH-ZJSXRUAMSA-N 3 2 387.612 3.420 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)C1 ZINC000153246453 1422415871 /nfs/dbraw/zinc/41/58/71/1422415871.db2.gz YIHXAJVLCSATDH-ZJSXRUAMSA-N 3 2 387.612 3.420 20 0 GGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N(C)C ZINC000153340820 1422479537 /nfs/dbraw/zinc/47/95/37/1422479537.db2.gz ZYMQHOPRGOYEFT-COPCDDAFSA-N 2 2 382.552 3.193 20 0 GGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N(C)C ZINC000153340820 1422479550 /nfs/dbraw/zinc/47/95/50/1422479550.db2.gz ZYMQHOPRGOYEFT-COPCDDAFSA-N 2 2 382.552 3.193 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000153670986 1422696437 /nfs/dbraw/zinc/69/64/37/1422696437.db2.gz UBMRBNPROAVONL-JKSUJKDBSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000153670986 1422696442 /nfs/dbraw/zinc/69/64/42/1422696442.db2.gz UBMRBNPROAVONL-JKSUJKDBSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c(OC)c1 ZINC000153687346 1422702947 /nfs/dbraw/zinc/70/29/47/1422702947.db2.gz REAFJZXMCYMHBZ-JKSUJKDBSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c(OC)c1 ZINC000153687346 1422702951 /nfs/dbraw/zinc/70/29/51/1422702951.db2.gz REAFJZXMCYMHBZ-JKSUJKDBSA-N 2 2 375.513 3.027 20 0 GGADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000153804824 1422767421 /nfs/dbraw/zinc/76/74/21/1422767421.db2.gz LZLSTAUZBZZQNS-OAHLLOKOSA-N 2 2 396.988 3.403 20 0 GGADLP C[C@@H]([NH2+]C1(C[NH2+]C2CCN(CC(F)F)CC2)CCOCC1)c1ccccc1 ZINC000153934688 1422813344 /nfs/dbraw/zinc/81/33/44/1422813344.db2.gz WIQZIDRRQWRPNR-QGZVFWFLSA-N 2 2 381.511 3.206 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccncc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000153974578 1422819568 /nfs/dbraw/zinc/81/95/68/1422819568.db2.gz UBXXBYFGEAEJCP-OAQYLSRUSA-N 2 2 396.560 3.406 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1ccncc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000153974578 1422819571 /nfs/dbraw/zinc/81/95/71/1422819571.db2.gz UBXXBYFGEAEJCP-OAQYLSRUSA-N 2 2 396.560 3.406 20 0 GGADLP CCN(C(=O)[C@H](C)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000154005729 1422824392 /nfs/dbraw/zinc/82/43/92/1422824392.db2.gz FPINHOAJUILGOA-HBMCJLEFSA-N 2 2 392.632 3.047 20 0 GGADLP CCN(C(=O)[C@H](C)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000154005729 1422824393 /nfs/dbraw/zinc/82/43/93/1422824393.db2.gz FPINHOAJUILGOA-HBMCJLEFSA-N 2 2 392.632 3.047 20 0 GGADLP CCN(C(=O)[C@H](C)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000154005919 1422824403 /nfs/dbraw/zinc/82/44/03/1422824403.db2.gz FPINHOAJUILGOA-ACRUOGEOSA-N 2 2 392.632 3.047 20 0 GGADLP C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000154257855 1422863202 /nfs/dbraw/zinc/86/32/02/1422863202.db2.gz KCTZBHZHXWZNDH-VDGAXYAQSA-N 2 2 383.540 3.387 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154631076 1422971752 /nfs/dbraw/zinc/97/17/52/1422971752.db2.gz QXCBLHJKCLXECB-OALUTQOASA-N 2 2 383.540 3.071 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(C)cc2OCC[NH+](C)C)c1C ZINC000154678956 1422998865 /nfs/dbraw/zinc/99/88/65/1422998865.db2.gz HHLUVXKAHIFOEX-UHFFFAOYSA-N 2 2 386.496 3.278 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c(F)c1 ZINC000155153656 1423199864 /nfs/dbraw/zinc/19/98/64/1423199864.db2.gz LPMLXQWSDSCDEL-QGZVFWFLSA-N 2 2 388.483 3.396 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)OCCO2 ZINC000155170630 1423209555 /nfs/dbraw/zinc/20/95/55/1423209555.db2.gz CHPNXKRLKKHLKC-SFHVURJKSA-N 2 2 398.503 3.020 20 0 GGADLP c1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000155173481 1423212019 /nfs/dbraw/zinc/21/20/19/1423212019.db2.gz DHGSJMXDFPQRPF-QFIPXVFZSA-N 2 2 382.504 3.401 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000155274029 1423291457 /nfs/dbraw/zinc/29/14/57/1423291457.db2.gz VFWHUFRWSBFGOB-SIKLNZKXSA-N 2 2 386.584 3.270 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000155274029 1423291474 /nfs/dbraw/zinc/29/14/74/1423291474.db2.gz VFWHUFRWSBFGOB-SIKLNZKXSA-N 2 2 386.584 3.270 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OC(F)(F)F)c1 ZINC000155363400 1423333150 /nfs/dbraw/zinc/33/31/50/1423333150.db2.gz TZLKWHHTMZFBPV-WMLDXEAASA-N 2 2 387.446 3.179 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OC(F)(F)F)c1 ZINC000155363400 1423333163 /nfs/dbraw/zinc/33/31/63/1423333163.db2.gz TZLKWHHTMZFBPV-WMLDXEAASA-N 2 2 387.446 3.179 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000155370788 1423338166 /nfs/dbraw/zinc/33/81/66/1423338166.db2.gz PKBXOFWKBRHMCD-MSOLQXFVSA-N 2 2 399.457 3.105 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000155370788 1423338174 /nfs/dbraw/zinc/33/81/74/1423338174.db2.gz PKBXOFWKBRHMCD-MSOLQXFVSA-N 2 2 399.457 3.105 20 0 GGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000179910483 1429636065 /nfs/dbraw/zinc/63/60/65/1429636065.db2.gz FXQGVQYQRZIPQL-ROUUACIJSA-N 2 2 387.597 3.139 20 0 GGADLP COc1cc(C[N@H+](CCO)C2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000155506501 1423391325 /nfs/dbraw/zinc/39/13/25/1423391325.db2.gz QZHISLIQUNNZOR-UHFFFAOYSA-N 2 2 390.549 3.224 20 0 GGADLP COc1cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)ccc1OCc1cccs1 ZINC000155506501 1423391333 /nfs/dbraw/zinc/39/13/33/1423391333.db2.gz QZHISLIQUNNZOR-UHFFFAOYSA-N 2 2 390.549 3.224 20 0 GGADLP CCCOc1c(Cl)cc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1OCC ZINC000155511126 1423393634 /nfs/dbraw/zinc/39/36/34/1423393634.db2.gz WLZKCBQGQNYFHW-UHFFFAOYSA-N 2 2 384.948 3.416 20 0 GGADLP CCCOc1c(Cl)cc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1OCC ZINC000155511126 1423393641 /nfs/dbraw/zinc/39/36/41/1423393641.db2.gz WLZKCBQGQNYFHW-UHFFFAOYSA-N 2 2 384.948 3.416 20 0 GGADLP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ccc1O ZINC000155674772 1423480123 /nfs/dbraw/zinc/48/01/23/1423480123.db2.gz LAHWUHSBBLJSTC-SFHVURJKSA-N 2 2 398.389 3.469 20 0 GGADLP CC[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cnn(C)c1 ZINC000155693513 1423489291 /nfs/dbraw/zinc/48/92/91/1423489291.db2.gz XZTCIGUVYVZKGX-FQEVSTJZSA-N 2 2 375.948 3.327 20 0 GGADLP CC(C)[NH+]1CCC(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000155705180 1423496811 /nfs/dbraw/zinc/49/68/11/1423496811.db2.gz PZAKTHXJZPOLGB-UHFFFAOYSA-N 2 2 378.992 3.315 20 0 GGADLP C[C@H]([NH2+]CCn1cc[nH+]c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000155715040 1423501536 /nfs/dbraw/zinc/50/15/36/1423501536.db2.gz HOTRDHLCLFPUJH-KRWDZBQOSA-N 2 2 390.553 3.235 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC([NH+]3CC=CC3)CC2)C[C@@H](C)O1 ZINC000155730037 1423507893 /nfs/dbraw/zinc/50/78/93/1423507893.db2.gz FKIHWVYMWXVNSD-RTBURBONSA-N 2 2 398.551 3.164 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000155952570 1423607506 /nfs/dbraw/zinc/60/75/06/1423607506.db2.gz RQVQYZONOZCHLF-IBGZPJMESA-N 2 2 397.523 3.302 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)CC2)CC1 ZINC000156011032 1423632793 /nfs/dbraw/zinc/63/27/93/1423632793.db2.gz IPZJJSDPVGYAQF-INIZCTEOSA-N 2 2 392.510 3.211 20 0 GGADLP CCC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156149524 1423695432 /nfs/dbraw/zinc/69/54/32/1423695432.db2.gz GSUDAJBIPQYFOY-HXUWFJFHSA-N 2 2 396.526 3.473 20 0 GGADLP CCC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156149524 1423695442 /nfs/dbraw/zinc/69/54/42/1423695442.db2.gz GSUDAJBIPQYFOY-HXUWFJFHSA-N 2 2 396.526 3.473 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156162026 1423701463 /nfs/dbraw/zinc/70/14/63/1423701463.db2.gz HRSUPLPPJJFHRB-OAQYLSRUSA-N 2 2 381.524 3.091 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)N1CCCC[C@H]1C ZINC000156276228 1423754494 /nfs/dbraw/zinc/75/44/94/1423754494.db2.gz MJYLYNPQFFOWEN-QZTJIDSGSA-N 2 2 375.532 3.212 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000156276608 1423754717 /nfs/dbraw/zinc/75/47/17/1423754717.db2.gz MJYLYNPQFFOWEN-ROUUACIJSA-N 2 2 375.532 3.212 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000156276351 1423754772 /nfs/dbraw/zinc/75/47/72/1423754772.db2.gz MJYLYNPQFFOWEN-ZWKOTPCHSA-N 2 2 375.532 3.212 20 0 GGADLP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000156314249 1423773689 /nfs/dbraw/zinc/77/36/89/1423773689.db2.gz LRWSSUYPFCTMDJ-FQEVSTJZSA-N 2 2 389.540 3.008 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N(CC[NH+](C)C)Cc3ccco3)cn2c1 ZINC000156449981 1423811564 /nfs/dbraw/zinc/81/15/64/1423811564.db2.gz JXNWILJTAIUZSP-UHFFFAOYSA-N 2 2 386.521 3.059 20 0 GGADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000156482346 1423816221 /nfs/dbraw/zinc/81/62/21/1423816221.db2.gz NTPJLLWJCQOWAB-OAQYLSRUSA-N 2 2 392.547 3.493 20 0 GGADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000156482346 1423816222 /nfs/dbraw/zinc/81/62/22/1423816222.db2.gz NTPJLLWJCQOWAB-OAQYLSRUSA-N 2 2 392.547 3.493 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156596902 1423834043 /nfs/dbraw/zinc/83/40/43/1423834043.db2.gz XXHDRDTXLRENSB-NRFANRHFSA-N 2 2 381.524 3.091 20 0 GGADLP COc1cc(Cl)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1Cl ZINC000156766777 1423860988 /nfs/dbraw/zinc/86/09/88/1423860988.db2.gz OOWHHOCDMGBDQN-UHFFFAOYSA-N 2 2 395.334 3.439 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(C)(C)C)cc1 ZINC000156892001 1423881500 /nfs/dbraw/zinc/88/15/00/1423881500.db2.gz MGVSMVSSLUTVAA-YLJYHZDGSA-N 2 2 375.557 3.457 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(C)(C)C)cc1 ZINC000156892001 1423881504 /nfs/dbraw/zinc/88/15/04/1423881504.db2.gz MGVSMVSSLUTVAA-YLJYHZDGSA-N 2 2 375.557 3.457 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000157029988 1423907254 /nfs/dbraw/zinc/90/72/54/1423907254.db2.gz QXSKJZCJYOKIIS-VQIMIIECSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)Cc2cc(=O)n3ccsc3n2)CC[N@H+]1Cc1ccccc1 ZINC000157029988 1423907258 /nfs/dbraw/zinc/90/72/58/1423907258.db2.gz QXSKJZCJYOKIIS-VQIMIIECSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1Cc1ccccc1 ZINC000157029988 1423907262 /nfs/dbraw/zinc/90/72/62/1423907262.db2.gz QXSKJZCJYOKIIS-VQIMIIECSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(=O)n3ccsc3n2)CC[NH+]1Cc1ccccc1 ZINC000157029988 1423907266 /nfs/dbraw/zinc/90/72/66/1423907266.db2.gz QXSKJZCJYOKIIS-VQIMIIECSA-N 2 2 382.533 3.241 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000157078357 1423919756 /nfs/dbraw/zinc/91/97/56/1423919756.db2.gz RACHIGKUQXZCAA-IRLDBZIGSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000157078357 1423919763 /nfs/dbraw/zinc/91/97/63/1423919763.db2.gz RACHIGKUQXZCAA-IRLDBZIGSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000157078357 1423919772 /nfs/dbraw/zinc/91/97/72/1423919772.db2.gz RACHIGKUQXZCAA-IRLDBZIGSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000157078357 1423919778 /nfs/dbraw/zinc/91/97/78/1423919778.db2.gz RACHIGKUQXZCAA-IRLDBZIGSA-N 2 2 391.559 3.414 20 0 GGADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157189185 1423949991 /nfs/dbraw/zinc/94/99/91/1423949991.db2.gz BYNDFMYBJPZMPX-SFHVURJKSA-N 2 2 395.494 3.197 20 0 GGADLP CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157189185 1423949999 /nfs/dbraw/zinc/94/99/99/1423949999.db2.gz BYNDFMYBJPZMPX-SFHVURJKSA-N 2 2 395.494 3.197 20 0 GGADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157283029 1423973427 /nfs/dbraw/zinc/97/34/27/1423973427.db2.gz MTGLNFSLIJGMID-HKUYNNGSSA-N 2 2 391.531 3.132 20 0 GGADLP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1F ZINC000157283029 1423973431 /nfs/dbraw/zinc/97/34/31/1423973431.db2.gz MTGLNFSLIJGMID-HKUYNNGSSA-N 2 2 391.531 3.132 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157291443 1423976197 /nfs/dbraw/zinc/97/61/97/1423976197.db2.gz YUDHCMFHWKPOFC-ICSRJNTNSA-N 2 2 382.552 3.165 20 0 GGADLP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157291443 1423976203 /nfs/dbraw/zinc/97/62/03/1423976203.db2.gz YUDHCMFHWKPOFC-ICSRJNTNSA-N 2 2 382.552 3.165 20 0 GGADLP CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000157361041 1423994204 /nfs/dbraw/zinc/99/42/04/1423994204.db2.gz JQKASGZHWGQMPM-LJQANCHMSA-N 2 2 383.492 3.202 20 0 GGADLP CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000157361041 1423994210 /nfs/dbraw/zinc/99/42/10/1423994210.db2.gz JQKASGZHWGQMPM-LJQANCHMSA-N 2 2 383.492 3.202 20 0 GGADLP C[N@H+](CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000157411200 1424006284 /nfs/dbraw/zinc/00/62/84/1424006284.db2.gz OTKGLUZPPKNZOJ-UHFFFAOYSA-N 2 2 383.540 3.038 20 0 GGADLP C[N@@H+](CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000157411200 1424006291 /nfs/dbraw/zinc/00/62/91/1424006291.db2.gz OTKGLUZPPKNZOJ-UHFFFAOYSA-N 2 2 383.540 3.038 20 0 GGADLP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000157444141 1424012896 /nfs/dbraw/zinc/01/28/96/1424012896.db2.gz XIWXJSOPMXPIPG-SFHVURJKSA-N 2 2 376.888 3.257 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000157484540 1424021450 /nfs/dbraw/zinc/02/14/50/1424021450.db2.gz CKDQWDXTHGMUAZ-QHCPKHFHSA-N 2 2 383.580 3.418 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000157484540 1424021460 /nfs/dbraw/zinc/02/14/60/1424021460.db2.gz CKDQWDXTHGMUAZ-QHCPKHFHSA-N 2 2 383.580 3.418 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000157611680 1424049206 /nfs/dbraw/zinc/04/92/06/1424049206.db2.gz ZJVXHBYMBBYBSR-JRGCBEDISA-N 2 2 387.572 3.121 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000157611680 1424049211 /nfs/dbraw/zinc/04/92/11/1424049211.db2.gz ZJVXHBYMBBYBSR-JRGCBEDISA-N 2 2 387.572 3.121 20 0 GGADLP Cc1coc(-c2cccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)n1 ZINC000157703263 1424068799 /nfs/dbraw/zinc/06/87/99/1424068799.db2.gz TZWNLZZINAGISA-UHFFFAOYSA-N 2 2 385.512 3.140 20 0 GGADLP Cc1coc(-c2cccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)n1 ZINC000157703263 1424068805 /nfs/dbraw/zinc/06/88/05/1424068805.db2.gz TZWNLZZINAGISA-UHFFFAOYSA-N 2 2 385.512 3.140 20 0 GGADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180022026 1429698204 /nfs/dbraw/zinc/69/82/04/1429698204.db2.gz IYKVWUUCOUZHMN-OAHLLOKOSA-N 2 2 398.942 3.224 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000157836511 1424099118 /nfs/dbraw/zinc/09/91/18/1424099118.db2.gz TVQUWOGNSSSZRT-UHFFFAOYSA-N 2 2 388.434 3.075 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000157836511 1424099124 /nfs/dbraw/zinc/09/91/24/1424099124.db2.gz TVQUWOGNSSSZRT-UHFFFAOYSA-N 2 2 388.434 3.075 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2cccc(F)c2C1 ZINC000158041932 1424146384 /nfs/dbraw/zinc/14/63/84/1424146384.db2.gz HQYHFXIEFFOPBY-SFHVURJKSA-N 2 2 395.522 3.353 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2cccc(F)c2C1 ZINC000158041932 1424146391 /nfs/dbraw/zinc/14/63/91/1424146391.db2.gz HQYHFXIEFFOPBY-SFHVURJKSA-N 2 2 395.522 3.353 20 0 GGADLP CN(C(=O)NC(C1CC1)C1CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158529035 1424280312 /nfs/dbraw/zinc/28/03/12/1424280312.db2.gz CGAXPAYNMLXHEF-PMACEKPBSA-N 2 2 376.589 3.154 20 0 GGADLP CN(C(=O)NC(C1CC1)C1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158529035 1424280323 /nfs/dbraw/zinc/28/03/23/1424280323.db2.gz CGAXPAYNMLXHEF-PMACEKPBSA-N 2 2 376.589 3.154 20 0 GGADLP CN(C(=O)NC(C1CC1)C1CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158528881 1424281164 /nfs/dbraw/zinc/28/11/64/1424281164.db2.gz CGAXPAYNMLXHEF-UXHICEINSA-N 2 2 376.589 3.154 20 0 GGADLP CN(C(=O)NC(C1CC1)C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158528881 1424281176 /nfs/dbraw/zinc/28/11/76/1424281176.db2.gz CGAXPAYNMLXHEF-UXHICEINSA-N 2 2 376.589 3.154 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158713431 1424324973 /nfs/dbraw/zinc/32/49/73/1424324973.db2.gz BGBNNUFMWKICSM-XXBNENTESA-N 2 2 376.504 3.424 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC[C@@H]21 ZINC000158735949 1424330782 /nfs/dbraw/zinc/33/07/82/1424330782.db2.gz UYFHXIPIXYZJDT-IRLDBZIGSA-N 2 2 381.520 3.225 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC[C@@H]21 ZINC000158735949 1424330787 /nfs/dbraw/zinc/33/07/87/1424330787.db2.gz UYFHXIPIXYZJDT-IRLDBZIGSA-N 2 2 381.520 3.225 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC[C@@H]21 ZINC000158735949 1424330797 /nfs/dbraw/zinc/33/07/97/1424330797.db2.gz UYFHXIPIXYZJDT-IRLDBZIGSA-N 2 2 381.520 3.225 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC[C@@H]21 ZINC000158735949 1424330804 /nfs/dbraw/zinc/33/08/04/1424330804.db2.gz UYFHXIPIXYZJDT-IRLDBZIGSA-N 2 2 381.520 3.225 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccccc3OC3CCCC3)CC[C@@H]21 ZINC000158799349 1424345458 /nfs/dbraw/zinc/34/54/58/1424345458.db2.gz FUDFSEBGGFXEHJ-FPOVZHCZSA-N 2 2 385.552 3.040 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCc3ccccc3OC3CCCC3)CC[C@@H]21 ZINC000158799349 1424345465 /nfs/dbraw/zinc/34/54/65/1424345465.db2.gz FUDFSEBGGFXEHJ-FPOVZHCZSA-N 2 2 385.552 3.040 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCc3ccccc3OC3CCCC3)CC[C@@H]21 ZINC000158799349 1424345473 /nfs/dbraw/zinc/34/54/73/1424345473.db2.gz FUDFSEBGGFXEHJ-FPOVZHCZSA-N 2 2 385.552 3.040 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCc3ccccc3OC3CCCC3)CC[C@@H]21 ZINC000158799349 1424345478 /nfs/dbraw/zinc/34/54/78/1424345478.db2.gz FUDFSEBGGFXEHJ-FPOVZHCZSA-N 2 2 385.552 3.040 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccccc3OC3CCCC3)CC[C@@H]21 ZINC000158799494 1424345551 /nfs/dbraw/zinc/34/55/51/1424345551.db2.gz FUDFSEBGGFXEHJ-CTNGQTDRSA-N 2 2 385.552 3.040 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)NCc3ccccc3OC3CCCC3)CC[C@@H]21 ZINC000158799494 1424345562 /nfs/dbraw/zinc/34/55/62/1424345562.db2.gz FUDFSEBGGFXEHJ-CTNGQTDRSA-N 2 2 385.552 3.040 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)NCc3ccccc3OC3CCCC3)CC[C@@H]21 ZINC000158799494 1424345566 /nfs/dbraw/zinc/34/55/66/1424345566.db2.gz FUDFSEBGGFXEHJ-CTNGQTDRSA-N 2 2 385.552 3.040 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)NCc3ccccc3OC3CCCC3)CC[C@@H]21 ZINC000158799494 1424345571 /nfs/dbraw/zinc/34/55/71/1424345571.db2.gz FUDFSEBGGFXEHJ-CTNGQTDRSA-N 2 2 385.552 3.040 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc2c1 ZINC000158943539 1424379026 /nfs/dbraw/zinc/37/90/26/1424379026.db2.gz NBHVFJYWTBXLMW-GGAORHGYSA-N 2 2 395.547 3.223 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)ccc2c1 ZINC000158943539 1424379032 /nfs/dbraw/zinc/37/90/32/1424379032.db2.gz NBHVFJYWTBXLMW-GGAORHGYSA-N 2 2 395.547 3.223 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000158943539 1424379040 /nfs/dbraw/zinc/37/90/40/1424379040.db2.gz NBHVFJYWTBXLMW-GGAORHGYSA-N 2 2 395.547 3.223 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000158943539 1424379047 /nfs/dbraw/zinc/37/90/47/1424379047.db2.gz NBHVFJYWTBXLMW-GGAORHGYSA-N 2 2 395.547 3.223 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)C2)CC1 ZINC000180069099 1429723362 /nfs/dbraw/zinc/72/33/62/1429723362.db2.gz CZTPWTYUNZUSFW-SFHVURJKSA-N 2 2 376.976 3.152 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)CC1 ZINC000180069099 1429723366 /nfs/dbraw/zinc/72/33/66/1429723366.db2.gz CZTPWTYUNZUSFW-SFHVURJKSA-N 2 2 376.976 3.152 20 0 GGADLP C[NH+](C)Cc1cccc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)c1 ZINC000159237611 1424454873 /nfs/dbraw/zinc/45/48/73/1424454873.db2.gz QYBINLNQGVUVHW-UHFFFAOYSA-N 2 2 393.491 3.345 20 0 GGADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000159246034 1424457691 /nfs/dbraw/zinc/45/76/91/1424457691.db2.gz QUTNQFCTGJSLQF-NRFANRHFSA-N 2 2 395.551 3.068 20 0 GGADLP CCN(C(=O)NCCc1cn2c([nH+]1)CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159246034 1424457695 /nfs/dbraw/zinc/45/76/95/1424457695.db2.gz QUTNQFCTGJSLQF-NRFANRHFSA-N 2 2 395.551 3.068 20 0 GGADLP CN(C(=O)NCCSC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000160609391 1424618193 /nfs/dbraw/zinc/61/81/93/1424618193.db2.gz ZZNGRJBUCASNLX-RBUKOAKNSA-N 2 2 398.661 3.497 20 0 GGADLP CN(C(=O)NCCSC(C)(C)C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000160609391 1424618197 /nfs/dbraw/zinc/61/81/97/1424618197.db2.gz ZZNGRJBUCASNLX-RBUKOAKNSA-N 2 2 398.661 3.497 20 0 GGADLP CN(C(=O)NOCc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000160743864 1424631722 /nfs/dbraw/zinc/63/17/22/1424631722.db2.gz IEUIOKDVNJVTPC-RTWAWAEBSA-N 2 2 388.556 3.097 20 0 GGADLP CN(C(=O)NOCc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000160743864 1424631728 /nfs/dbraw/zinc/63/17/28/1424631728.db2.gz IEUIOKDVNJVTPC-RTWAWAEBSA-N 2 2 388.556 3.097 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)CC1 ZINC000161627897 1424728191 /nfs/dbraw/zinc/72/81/91/1424728191.db2.gz CVDSYAWLGCXCRI-ZDUSSCGKSA-N 2 2 390.496 3.217 20 0 GGADLP COC(C)(C)C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000161686777 1424740314 /nfs/dbraw/zinc/74/03/14/1424740314.db2.gz SUJOISHYFNQGEF-YSIASYRMSA-N 2 2 396.620 3.169 20 0 GGADLP COC(C)(C)C[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000161686777 1424740322 /nfs/dbraw/zinc/74/03/22/1424740322.db2.gz SUJOISHYFNQGEF-YSIASYRMSA-N 2 2 396.620 3.169 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000162030485 1424810344 /nfs/dbraw/zinc/81/03/44/1424810344.db2.gz GHHYCNFGDVTZBZ-SFHVURJKSA-N 2 2 398.503 3.020 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000162260078 1424832112 /nfs/dbraw/zinc/83/21/12/1424832112.db2.gz IJHYHOMVXQJKSO-UHFFFAOYSA-N 2 2 393.579 3.371 20 0 GGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000162458191 1424854488 /nfs/dbraw/zinc/85/44/88/1424854488.db2.gz AKQXYVSISXCPPF-UHFFFAOYSA-N 2 2 391.560 3.058 20 0 GGADLP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CN(C)C(=O)OC(C)(C)C ZINC000162508804 1424860059 /nfs/dbraw/zinc/86/00/59/1424860059.db2.gz ATHLBNATEDXHHC-GGPKGHCWSA-N 2 2 390.572 3.385 20 0 GGADLP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CN(C)C(=O)OC(C)(C)C ZINC000162508804 1424860062 /nfs/dbraw/zinc/86/00/62/1424860062.db2.gz ATHLBNATEDXHHC-GGPKGHCWSA-N 2 2 390.572 3.385 20 0 GGADLP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000162572363 1424867762 /nfs/dbraw/zinc/86/77/62/1424867762.db2.gz NGUOZTHVENLSKM-UHFFFAOYSA-N 3 2 396.579 3.452 20 0 GGADLP C[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000162861068 1424897592 /nfs/dbraw/zinc/89/75/92/1424897592.db2.gz PWZWQAGPDDBBSQ-QGZVFWFLSA-N 2 2 388.537 3.164 20 0 GGADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162888391 1424899600 /nfs/dbraw/zinc/89/96/00/1424899600.db2.gz MEHBCMFBFIOEMI-INIZCTEOSA-N 2 2 376.526 3.386 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000163106699 1424941195 /nfs/dbraw/zinc/94/11/95/1424941195.db2.gz OORVGJBBMKUDLT-WOJBJXKFSA-N 2 2 381.524 3.043 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccsc1 ZINC000163667381 1425031650 /nfs/dbraw/zinc/03/16/50/1425031650.db2.gz NNNKZRCPVXQLOD-MSOLQXFVSA-N 2 2 387.553 3.104 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000163725532 1425038170 /nfs/dbraw/zinc/03/81/70/1425038170.db2.gz JJPZZYZNUWEMHL-IBGZPJMESA-N 2 2 393.531 3.496 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000163802034 1425045760 /nfs/dbraw/zinc/04/57/60/1425045760.db2.gz AXYASTYNULNIQI-QGZVFWFLSA-N 2 2 390.553 3.265 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000163872287 1425052907 /nfs/dbraw/zinc/05/29/07/1425052907.db2.gz LMRFRMSVUXZAAS-RXVVDRJESA-N 2 2 393.535 3.002 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000163872287 1425052916 /nfs/dbraw/zinc/05/29/16/1425052916.db2.gz LMRFRMSVUXZAAS-RXVVDRJESA-N 2 2 393.535 3.002 20 0 GGADLP Cc1ncc([C@H](C)[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(C)n1 ZINC000163930591 1425059946 /nfs/dbraw/zinc/05/99/46/1425059946.db2.gz VGQKPEKUOGVJMV-IBGZPJMESA-N 2 2 381.568 3.342 20 0 GGADLP Cc1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000165543878 1425184250 /nfs/dbraw/zinc/18/42/50/1425184250.db2.gz UMOGAUBAGXQLIN-SJORKVTESA-N 2 2 379.574 3.252 20 0 GGADLP Cc1csc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000165543878 1425184256 /nfs/dbraw/zinc/18/42/56/1425184256.db2.gz UMOGAUBAGXQLIN-SJORKVTESA-N 2 2 379.574 3.252 20 0 GGADLP Cc1csc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000165543494 1425184427 /nfs/dbraw/zinc/18/44/27/1425184427.db2.gz UMOGAUBAGXQLIN-DLBZAZTESA-N 2 2 379.574 3.252 20 0 GGADLP Cc1csc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000165543494 1425184439 /nfs/dbraw/zinc/18/44/39/1425184439.db2.gz UMOGAUBAGXQLIN-DLBZAZTESA-N 2 2 379.574 3.252 20 0 GGADLP COc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165547436 1425184512 /nfs/dbraw/zinc/18/45/12/1425184512.db2.gz VDZDDSNBRVCIDO-UXHICEINSA-N 2 2 388.556 3.496 20 0 GGADLP COc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165547436 1425184520 /nfs/dbraw/zinc/18/45/20/1425184520.db2.gz VDZDDSNBRVCIDO-UXHICEINSA-N 2 2 388.556 3.496 20 0 GGADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165538398 1425184769 /nfs/dbraw/zinc/18/47/69/1425184769.db2.gz DFILWDDVRPNRNP-FGZHOGPDSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165538398 1425184779 /nfs/dbraw/zinc/18/47/79/1425184779.db2.gz DFILWDDVRPNRNP-FGZHOGPDSA-N 2 2 386.584 3.474 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000165579645 1425185775 /nfs/dbraw/zinc/18/57/75/1425185775.db2.gz HRFHGQVQMILADD-QAPCUYQASA-N 3 2 384.490 3.030 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000165579645 1425185793 /nfs/dbraw/zinc/18/57/93/1425185793.db2.gz HRFHGQVQMILADD-QAPCUYQASA-N 3 2 384.490 3.030 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000165584294 1425185887 /nfs/dbraw/zinc/18/58/87/1425185887.db2.gz RFHVONVLHNGTCS-VQIMIIECSA-N 3 2 398.517 3.277 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000165584294 1425185897 /nfs/dbraw/zinc/18/58/97/1425185897.db2.gz RFHVONVLHNGTCS-VQIMIIECSA-N 3 2 398.517 3.277 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165587236 1425186083 /nfs/dbraw/zinc/18/60/83/1425186083.db2.gz FYHOVVDUMSIGBQ-GPMSIDNRSA-N 3 2 398.517 3.276 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165587236 1425186086 /nfs/dbraw/zinc/18/60/86/1425186086.db2.gz FYHOVVDUMSIGBQ-GPMSIDNRSA-N 3 2 398.517 3.276 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165586974 1425186124 /nfs/dbraw/zinc/18/61/24/1425186124.db2.gz FYHOVVDUMSIGBQ-MDZRGWNJSA-N 3 2 398.517 3.276 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165586974 1425186134 /nfs/dbraw/zinc/18/61/34/1425186134.db2.gz FYHOVVDUMSIGBQ-MDZRGWNJSA-N 3 2 398.517 3.276 20 0 GGADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000166098898 1425206830 /nfs/dbraw/zinc/20/68/30/1425206830.db2.gz YBORMILNNORNSN-PGRDOPGGSA-N 2 2 386.584 3.309 20 0 GGADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000166098898 1425206835 /nfs/dbraw/zinc/20/68/35/1425206835.db2.gz YBORMILNNORNSN-PGRDOPGGSA-N 2 2 386.584 3.309 20 0 GGADLP Cc1ccc2c(c1)[C@H]([NH2+]CCC(=O)N1CCN(c3cccc[nH+]3)CC1)CCC2 ZINC000166409143 1425213201 /nfs/dbraw/zinc/21/32/01/1425213201.db2.gz ALWYDJLFTRAZPC-OAQYLSRUSA-N 2 2 378.520 3.096 20 0 GGADLP CCC(CC)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167076364 1425221466 /nfs/dbraw/zinc/22/14/66/1425221466.db2.gz GMUMOPIPIBCXEG-VQTJNVASSA-N 2 2 387.634 3.021 20 0 GGADLP CCC(CC)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167076364 1425221472 /nfs/dbraw/zinc/22/14/72/1425221472.db2.gz GMUMOPIPIBCXEG-VQTJNVASSA-N 2 2 387.634 3.021 20 0 GGADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(C)C ZINC000167072119 1425221538 /nfs/dbraw/zinc/22/15/38/1425221538.db2.gz JJKHAWPVZRRSNM-OALUTQOASA-N 2 2 387.634 3.021 20 0 GGADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(C)C ZINC000167072119 1425221543 /nfs/dbraw/zinc/22/15/43/1425221543.db2.gz JJKHAWPVZRRSNM-OALUTQOASA-N 2 2 387.634 3.021 20 0 GGADLP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168280375 1425237020 /nfs/dbraw/zinc/23/70/20/1425237020.db2.gz HUFPJGLCRLDZRM-CQSZACIVSA-N 2 2 387.446 3.123 20 0 GGADLP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC(n4cc[nH+]c4)CC3)c(C)c2)CC1 ZINC000170707676 1425310204 /nfs/dbraw/zinc/31/02/04/1425310204.db2.gz IYSMIRBZYXGZPJ-UHFFFAOYSA-N 2 2 396.539 3.202 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000170711189 1425312129 /nfs/dbraw/zinc/31/21/29/1425312129.db2.gz QIVNNAGXGIEVDC-UHFFFAOYSA-N 2 2 396.539 3.156 20 0 GGADLP CCC[C@@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170814272 1425351844 /nfs/dbraw/zinc/35/18/44/1425351844.db2.gz YXKOQAQUBIOLFE-NRFANRHFSA-N 2 2 386.584 3.256 20 0 GGADLP CC(C)CC[C@H]1CCC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170814242 1425352029 /nfs/dbraw/zinc/35/20/29/1425352029.db2.gz RHFYQRKYZCZYPF-WIYYLYMNSA-N 2 2 378.605 3.449 20 0 GGADLP C[C@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000170887690 1425381650 /nfs/dbraw/zinc/38/16/50/1425381650.db2.gz RSAYJDZDFRWSPU-PMACEKPBSA-N 2 2 395.547 3.158 20 0 GGADLP C[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000170887690 1425381654 /nfs/dbraw/zinc/38/16/54/1425381654.db2.gz RSAYJDZDFRWSPU-PMACEKPBSA-N 2 2 395.547 3.158 20 0 GGADLP C[C@@H]([NH2+][C@@H](c1ccccc1)C1CCC1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000170919578 1425393899 /nfs/dbraw/zinc/39/38/99/1425393899.db2.gz KKIYLVFMICHREC-GCJKJVERSA-N 2 2 378.520 3.250 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171178490 1425527987 /nfs/dbraw/zinc/52/79/87/1425527987.db2.gz MJTKJIDCRQISFP-UHFFFAOYSA-N 2 2 381.524 3.326 20 0 GGADLP COc1c(C)c[nH+]c(CN2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)c1C ZINC000171233642 1425557219 /nfs/dbraw/zinc/55/72/19/1425557219.db2.gz OAXCWDVPRKQFBK-UHFFFAOYSA-N 2 2 384.524 3.045 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4cccc(OC)c4)n3)C2)CC1 ZINC000171529107 1425718639 /nfs/dbraw/zinc/71/86/39/1425718639.db2.gz CMBAARQXXXTYPB-LJQANCHMSA-N 2 2 386.565 3.031 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4cccc(OC)c4)n3)C2)CC1 ZINC000171529107 1425718647 /nfs/dbraw/zinc/71/86/47/1425718647.db2.gz CMBAARQXXXTYPB-LJQANCHMSA-N 2 2 386.565 3.031 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4cccc(OC)c4)n3)C2)CC1 ZINC000171529112 1425718866 /nfs/dbraw/zinc/71/88/66/1425718866.db2.gz CMBAARQXXXTYPB-IBGZPJMESA-N 2 2 386.565 3.031 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4cccc(OC)c4)n3)C2)CC1 ZINC000171529112 1425718871 /nfs/dbraw/zinc/71/88/71/1425718871.db2.gz CMBAARQXXXTYPB-IBGZPJMESA-N 2 2 386.565 3.031 20 0 GGADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646372 1425771096 /nfs/dbraw/zinc/77/10/96/1425771096.db2.gz JUCUOWUARUBIPF-JKYHGXDQSA-N 2 2 382.552 3.289 20 0 GGADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646372 1425771100 /nfs/dbraw/zinc/77/11/00/1425771100.db2.gz JUCUOWUARUBIPF-JKYHGXDQSA-N 2 2 382.552 3.289 20 0 GGADLP CCCCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1OC ZINC000171918879 1425852417 /nfs/dbraw/zinc/85/24/17/1425852417.db2.gz GJCQKDLAKNJRME-UHFFFAOYSA-N 2 2 375.557 3.088 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000172201892 1425944239 /nfs/dbraw/zinc/94/42/39/1425944239.db2.gz FWCKHDHIMALBHH-IBGZPJMESA-N 2 2 399.583 3.124 20 0 GGADLP Cc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c(OCC[NH+](C)C)c1 ZINC000172501268 1426060994 /nfs/dbraw/zinc/06/09/94/1426060994.db2.gz JEPYSAYYOBQGPC-UHFFFAOYSA-N 2 2 393.491 3.443 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172539408 1426078841 /nfs/dbraw/zinc/07/88/41/1426078841.db2.gz KCEQQLBOOWLQJC-UHFFFAOYSA-N 2 2 381.524 3.091 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172539408 1426078848 /nfs/dbraw/zinc/07/88/48/1426078848.db2.gz KCEQQLBOOWLQJC-UHFFFAOYSA-N 2 2 381.524 3.091 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000172656043 1426129532 /nfs/dbraw/zinc/12/95/32/1426129532.db2.gz HTWOJWBROGJHCT-UHFFFAOYSA-N 2 2 388.434 3.075 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1OC(F)(F)F ZINC000172656043 1426129544 /nfs/dbraw/zinc/12/95/44/1426129544.db2.gz HTWOJWBROGJHCT-UHFFFAOYSA-N 2 2 388.434 3.075 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1OC1CCCC1 ZINC000172657373 1426130107 /nfs/dbraw/zinc/13/01/07/1426130107.db2.gz ZIINJXKPGAAUQF-UHFFFAOYSA-N 2 2 388.556 3.498 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1OC1CCCC1 ZINC000172657373 1426130116 /nfs/dbraw/zinc/13/01/16/1426130116.db2.gz ZIINJXKPGAAUQF-UHFFFAOYSA-N 2 2 388.556 3.498 20 0 GGADLP Cc1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000172768441 1426179151 /nfs/dbraw/zinc/17/91/51/1426179151.db2.gz XOJZZWHWLMLEQG-LJQANCHMSA-N 2 2 385.581 3.189 20 0 GGADLP Cc1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)s1 ZINC000172768441 1426179159 /nfs/dbraw/zinc/17/91/59/1426179159.db2.gz XOJZZWHWLMLEQG-LJQANCHMSA-N 2 2 385.581 3.189 20 0 GGADLP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000173140870 1426362032 /nfs/dbraw/zinc/36/20/32/1426362032.db2.gz VJELLEHXQLVISD-OAQYLSRUSA-N 2 2 395.551 3.437 20 0 GGADLP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000173140870 1426362038 /nfs/dbraw/zinc/36/20/38/1426362038.db2.gz VJELLEHXQLVISD-OAQYLSRUSA-N 2 2 395.551 3.437 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000173197956 1426388106 /nfs/dbraw/zinc/38/81/06/1426388106.db2.gz LZIJSLIZFZOWSC-UHFFFAOYSA-N 2 2 376.545 3.354 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1OC(C)(C)C ZINC000173197956 1426388112 /nfs/dbraw/zinc/38/81/12/1426388112.db2.gz LZIJSLIZFZOWSC-UHFFFAOYSA-N 2 2 376.545 3.354 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000173314380 1426497482 /nfs/dbraw/zinc/49/74/82/1426497482.db2.gz IEZWRIVSHSMRCD-KRWDZBQOSA-N 2 2 398.532 3.033 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000173328114 1426510486 /nfs/dbraw/zinc/51/04/86/1426510486.db2.gz SEDAJYBFFFVDPB-UHFFFAOYSA-N 2 2 389.588 3.448 20 0 GGADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000173502849 1426671378 /nfs/dbraw/zinc/67/13/78/1426671378.db2.gz ADADHFSYKAPHQQ-NRFANRHFSA-N 2 2 394.519 3.180 20 0 GGADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000173502849 1426671391 /nfs/dbraw/zinc/67/13/91/1426671391.db2.gz ADADHFSYKAPHQQ-NRFANRHFSA-N 2 2 394.519 3.180 20 0 GGADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000173502862 1426672491 /nfs/dbraw/zinc/67/24/91/1426672491.db2.gz ADADHFSYKAPHQQ-OAQYLSRUSA-N 2 2 394.519 3.180 20 0 GGADLP C[NH+](C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000173502862 1426672500 /nfs/dbraw/zinc/67/25/00/1426672500.db2.gz ADADHFSYKAPHQQ-OAQYLSRUSA-N 2 2 394.519 3.180 20 0 GGADLP CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000173600643 1426768753 /nfs/dbraw/zinc/76/87/53/1426768753.db2.gz GSQPKMVDHCZXGG-NRFANRHFSA-N 2 2 392.563 3.060 20 0 GGADLP CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000173600643 1426768784 /nfs/dbraw/zinc/76/87/84/1426768784.db2.gz GSQPKMVDHCZXGG-NRFANRHFSA-N 2 2 392.563 3.060 20 0 GGADLP CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000173613841 1426791614 /nfs/dbraw/zinc/79/16/14/1426791614.db2.gz NJVBIPXWCIBSGS-MRXNPFEDSA-N 2 2 375.513 3.041 20 0 GGADLP Cc1sc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1C ZINC000173623407 1426801372 /nfs/dbraw/zinc/80/13/72/1426801372.db2.gz JWQVSDFYAUOJIR-GJZGRUSLSA-N 2 2 393.597 3.433 20 0 GGADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173769080 1426845158 /nfs/dbraw/zinc/84/51/58/1426845158.db2.gz TXWYJYDVAYNZCF-CRAIPNDOSA-N 2 2 383.458 3.040 20 0 GGADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173769080 1426845159 /nfs/dbraw/zinc/84/51/59/1426845159.db2.gz TXWYJYDVAYNZCF-CRAIPNDOSA-N 2 2 383.458 3.040 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccccc2C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000173885576 1426881442 /nfs/dbraw/zinc/88/14/42/1426881442.db2.gz OVYMLUOFWOXPCW-SZPZYZBQSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccccc2C[NH+]2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000173885576 1426881443 /nfs/dbraw/zinc/88/14/43/1426881443.db2.gz OVYMLUOFWOXPCW-SZPZYZBQSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000173885576 1426881445 /nfs/dbraw/zinc/88/14/45/1426881445.db2.gz OVYMLUOFWOXPCW-SZPZYZBQSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000173885576 1426881448 /nfs/dbraw/zinc/88/14/48/1426881448.db2.gz OVYMLUOFWOXPCW-SZPZYZBQSA-N 4 2 386.628 3.234 20 0 GGADLP C[N@@H+](Cc1cc(=O)oc2cc(O)ccc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973880 1426919047 /nfs/dbraw/zinc/91/90/47/1426919047.db2.gz WNDRAKWEXIKYGS-GOSISDBHSA-N 2 2 378.472 3.453 20 0 GGADLP C[N@H+](Cc1cc(=O)oc2cc(O)ccc12)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973880 1426919050 /nfs/dbraw/zinc/91/90/50/1426919050.db2.gz WNDRAKWEXIKYGS-GOSISDBHSA-N 2 2 378.472 3.453 20 0 GGADLP C[NH+](Cc1cc(=O)oc2cc(O)ccc12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173973880 1426919054 /nfs/dbraw/zinc/91/90/54/1426919054.db2.gz WNDRAKWEXIKYGS-GOSISDBHSA-N 2 2 378.472 3.453 20 0 GGADLP C[NH+](Cc1cc(=O)oc2cc(O)ccc12)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173973880 1426919057 /nfs/dbraw/zinc/91/90/57/1426919057.db2.gz WNDRAKWEXIKYGS-GOSISDBHSA-N 2 2 378.472 3.453 20 0 GGADLP Cc1csc2nc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)n12 ZINC000173974712 1426920020 /nfs/dbraw/zinc/92/00/20/1426920020.db2.gz LPZVYPHTFHGGHN-GOSISDBHSA-N 2 2 382.533 3.018 20 0 GGADLP Cc1csc2nc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc(=O)n12 ZINC000173974712 1426920030 /nfs/dbraw/zinc/92/00/30/1426920030.db2.gz LPZVYPHTFHGGHN-GOSISDBHSA-N 2 2 382.533 3.018 20 0 GGADLP Cc1csc2nc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc(=O)n12 ZINC000173974712 1426920035 /nfs/dbraw/zinc/92/00/35/1426920035.db2.gz LPZVYPHTFHGGHN-GOSISDBHSA-N 2 2 382.533 3.018 20 0 GGADLP Cc1csc2nc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc(=O)n12 ZINC000173974712 1426920041 /nfs/dbraw/zinc/92/00/41/1426920041.db2.gz LPZVYPHTFHGGHN-GOSISDBHSA-N 2 2 382.533 3.018 20 0 GGADLP C[C@H]1C[C@H](c2ccccc2F)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174044234 1426966895 /nfs/dbraw/zinc/96/68/95/1426966895.db2.gz KFGMNUCLQYGNJU-GHTZIAJQSA-N 2 2 396.510 3.343 20 0 GGADLP C[C@H]1C[C@H](c2ccccc2F)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000174044234 1426966901 /nfs/dbraw/zinc/96/69/01/1426966901.db2.gz KFGMNUCLQYGNJU-GHTZIAJQSA-N 2 2 396.510 3.343 20 0 GGADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000174294766 1427089592 /nfs/dbraw/zinc/08/95/92/1427089592.db2.gz VUBQSPDKQLNSHF-CQSZACIVSA-N 2 2 381.542 3.023 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)CC1 ZINC000174302289 1427092122 /nfs/dbraw/zinc/09/21/22/1427092122.db2.gz SNNDBTDISQAXRD-ROUUACIJSA-N 2 2 383.536 3.106 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccco1 ZINC000174388429 1427133487 /nfs/dbraw/zinc/13/34/87/1427133487.db2.gz GBQLUZUIAVTHJE-IBGZPJMESA-N 2 2 399.539 3.334 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1)c1ccco1 ZINC000174388439 1427133665 /nfs/dbraw/zinc/13/36/65/1427133665.db2.gz GBQLUZUIAVTHJE-LJQANCHMSA-N 2 2 399.539 3.334 20 0 GGADLP CC[N@H+](C[C@H](O)COc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391417 1427135145 /nfs/dbraw/zinc/13/51/45/1427135145.db2.gz SPXJUNUCLLXZAG-NRFANRHFSA-N 2 2 383.536 3.368 20 0 GGADLP CC[N@@H+](C[C@H](O)COc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391417 1427135148 /nfs/dbraw/zinc/13/51/48/1427135148.db2.gz SPXJUNUCLLXZAG-NRFANRHFSA-N 2 2 383.536 3.368 20 0 GGADLP CC[N@@H+](CC(=O)NCc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392358 1427135402 /nfs/dbraw/zinc/13/54/02/1427135402.db2.gz GPTVAZZILLBYRH-UHFFFAOYSA-N 2 2 384.499 3.075 20 0 GGADLP CC[N@H+](CC(=O)NCc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392358 1427135414 /nfs/dbraw/zinc/13/54/14/1427135414.db2.gz GPTVAZZILLBYRH-UHFFFAOYSA-N 2 2 384.499 3.075 20 0 GGADLP CC[N@H+](C[C@H](O)COc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395395 1427136813 /nfs/dbraw/zinc/13/68/13/1427136813.db2.gz NTIGEADMUMBQLX-IBGZPJMESA-N 2 2 387.499 3.199 20 0 GGADLP CC[N@@H+](C[C@H](O)COc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395395 1427136820 /nfs/dbraw/zinc/13/68/20/1427136820.db2.gz NTIGEADMUMBQLX-IBGZPJMESA-N 2 2 387.499 3.199 20 0 GGADLP CC[N@H+](C[C@H](O)COc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394708 1427137122 /nfs/dbraw/zinc/13/71/22/1427137122.db2.gz NXQCFZTYRQFKEK-NRFANRHFSA-N 2 2 383.536 3.368 20 0 GGADLP CC[N@@H+](C[C@H](O)COc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394708 1427137124 /nfs/dbraw/zinc/13/71/24/1427137124.db2.gz NXQCFZTYRQFKEK-NRFANRHFSA-N 2 2 383.536 3.368 20 0 GGADLP Cc1ccccc1CN(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404392 1427143049 /nfs/dbraw/zinc/14/30/49/1427143049.db2.gz VPQBGHHCAYSWSP-QFIPXVFZSA-N 2 2 379.548 3.407 20 0 GGADLP Cc1ccccc1CN(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404392 1427143057 /nfs/dbraw/zinc/14/30/57/1427143057.db2.gz VPQBGHHCAYSWSP-QFIPXVFZSA-N 2 2 379.548 3.407 20 0 GGADLP Cc1ccccc1CN(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404392 1427143063 /nfs/dbraw/zinc/14/30/63/1427143063.db2.gz VPQBGHHCAYSWSP-QFIPXVFZSA-N 2 2 379.548 3.407 20 0 GGADLP Cc1ccccc1CN(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404392 1427143070 /nfs/dbraw/zinc/14/30/70/1427143070.db2.gz VPQBGHHCAYSWSP-QFIPXVFZSA-N 2 2 379.548 3.407 20 0 GGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000174415553 1427148083 /nfs/dbraw/zinc/14/80/83/1427148083.db2.gz UTGHPJKPQJGDER-HXUWFJFHSA-N 2 2 396.959 3.488 20 0 GGADLP C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](c2ccco2)C1 ZINC000174509295 1427191693 /nfs/dbraw/zinc/19/16/93/1427191693.db2.gz POZZSLFMWABUAK-MOPGFXCFSA-N 2 2 382.508 3.187 20 0 GGADLP C[C@@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](c2ccco2)C1 ZINC000174509295 1427191707 /nfs/dbraw/zinc/19/17/07/1427191707.db2.gz POZZSLFMWABUAK-MOPGFXCFSA-N 2 2 382.508 3.187 20 0 GGADLP C[N@H+](CCCOc1ccc2c(c1)OCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657998 1427292001 /nfs/dbraw/zinc/29/20/01/1427292001.db2.gz NMOTWDUPLWCRGN-UHFFFAOYSA-N 2 2 397.519 3.218 20 0 GGADLP C[N@@H+](CCCOc1ccc2c(c1)OCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174657998 1427292010 /nfs/dbraw/zinc/29/20/10/1427292010.db2.gz NMOTWDUPLWCRGN-UHFFFAOYSA-N 2 2 397.519 3.218 20 0 GGADLP C[N@H+](CCC(=O)Nc1cccc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658086 1427292431 /nfs/dbraw/zinc/29/24/31/1427292431.db2.gz HCZSJSYMNLYGHA-UHFFFAOYSA-N 2 2 384.499 3.188 20 0 GGADLP C[N@@H+](CCC(=O)Nc1cccc(F)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174658086 1427292435 /nfs/dbraw/zinc/29/24/35/1427292435.db2.gz HCZSJSYMNLYGHA-UHFFFAOYSA-N 2 2 384.499 3.188 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000174677487 1427304408 /nfs/dbraw/zinc/30/44/08/1427304408.db2.gz OXBMTPPIIZZOCV-ROUUACIJSA-N 2 2 393.597 3.309 20 0 GGADLP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174780759 1427363693 /nfs/dbraw/zinc/36/36/93/1427363693.db2.gz TUECYAQBRNAMPV-QGZVFWFLSA-N 2 2 377.492 3.494 20 0 GGADLP C[C@@H](CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000175161365 1427575510 /nfs/dbraw/zinc/57/55/10/1427575510.db2.gz TUEBIUPGPZBCMP-ICSRJNTNSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@@H](CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000175161365 1427575513 /nfs/dbraw/zinc/57/55/13/1427575513.db2.gz TUEBIUPGPZBCMP-ICSRJNTNSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@@H](CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000175161365 1427575518 /nfs/dbraw/zinc/57/55/18/1427575518.db2.gz TUEBIUPGPZBCMP-ICSRJNTNSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@@H](CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000175161365 1427575522 /nfs/dbraw/zinc/57/55/22/1427575522.db2.gz TUEBIUPGPZBCMP-ICSRJNTNSA-N 2 2 383.540 3.008 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175210907 1427603426 /nfs/dbraw/zinc/60/34/26/1427603426.db2.gz YNQMUVWDMQBMIQ-HDICACEKSA-N 2 2 399.539 3.403 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175210907 1427603436 /nfs/dbraw/zinc/60/34/36/1427603436.db2.gz YNQMUVWDMQBMIQ-HDICACEKSA-N 2 2 399.539 3.403 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000175393318 1427728714 /nfs/dbraw/zinc/72/87/14/1427728714.db2.gz CKHIZAVAZJWEEC-ICSRJNTNSA-N 2 2 381.524 3.236 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000175393318 1427728717 /nfs/dbraw/zinc/72/87/17/1427728717.db2.gz CKHIZAVAZJWEEC-ICSRJNTNSA-N 2 2 381.524 3.236 20 0 GGADLP C/C(=C\C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000175409746 1427739378 /nfs/dbraw/zinc/73/93/78/1427739378.db2.gz CJQOUUQLPFDHDK-FOCLMDBBSA-N 2 2 395.494 3.176 20 0 GGADLP C/C(=C\C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000175409746 1427739383 /nfs/dbraw/zinc/73/93/83/1427739383.db2.gz CJQOUUQLPFDHDK-FOCLMDBBSA-N 2 2 395.494 3.176 20 0 GGADLP CN(Cc1cc2ccccc2o1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000175412824 1427740827 /nfs/dbraw/zinc/74/08/27/1427740827.db2.gz QXSVVOUSUWAOQT-UHFFFAOYSA-N 2 2 384.524 3.133 20 0 GGADLP CCCCOc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000175433842 1427752898 /nfs/dbraw/zinc/75/28/98/1427752898.db2.gz BJFDZRJWEQZGER-UHFFFAOYSA-N 2 2 376.545 3.355 20 0 GGADLP CCCCOc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000175433842 1427752904 /nfs/dbraw/zinc/75/29/04/1427752904.db2.gz BJFDZRJWEQZGER-UHFFFAOYSA-N 2 2 376.545 3.355 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)CC1 ZINC000175444524 1427757862 /nfs/dbraw/zinc/75/78/62/1427757862.db2.gz OPKGLVMUSQYKRP-UHFFFAOYSA-N 2 2 383.540 3.430 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175576467 1427820186 /nfs/dbraw/zinc/82/01/86/1427820186.db2.gz HWUITWHEDWJGFW-UHFFFAOYSA-N 2 2 395.551 3.180 20 0 GGADLP CC[C@H](C)Oc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000175582186 1427821493 /nfs/dbraw/zinc/82/14/93/1427821493.db2.gz RMFNIOSJADEBOH-KRWDZBQOSA-N 2 2 376.545 3.354 20 0 GGADLP CC[C@H](C)Oc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000175582186 1427821498 /nfs/dbraw/zinc/82/14/98/1427821498.db2.gz RMFNIOSJADEBOH-KRWDZBQOSA-N 2 2 376.545 3.354 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175594799 1427826330 /nfs/dbraw/zinc/82/63/30/1427826330.db2.gz ZEGXIDNCEQPPGK-UHFFFAOYSA-N 2 2 381.524 3.138 20 0 GGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000175657871 1427847107 /nfs/dbraw/zinc/84/71/07/1427847107.db2.gz OJASCJLAASLOHQ-IIBYNOLFSA-N 2 2 390.547 3.117 20 0 GGADLP C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000175657871 1427847109 /nfs/dbraw/zinc/84/71/09/1427847109.db2.gz OJASCJLAASLOHQ-IIBYNOLFSA-N 2 2 390.547 3.117 20 0 GGADLP C[N@H+](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccc(F)cc1 ZINC000175681743 1427855071 /nfs/dbraw/zinc/85/50/71/1427855071.db2.gz TUSTZLMYJDNJPA-UHFFFAOYSA-N 2 2 399.445 3.082 20 0 GGADLP C[N@@H+](CCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccc(F)cc1 ZINC000175681743 1427855072 /nfs/dbraw/zinc/85/50/72/1427855072.db2.gz TUSTZLMYJDNJPA-UHFFFAOYSA-N 2 2 399.445 3.082 20 0 GGADLP CCC[N@H+](CC)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175735805 1427874019 /nfs/dbraw/zinc/87/40/19/1427874019.db2.gz ANPRLNVCANKNRH-QZTJIDSGSA-N 2 2 376.545 3.149 20 0 GGADLP CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175735805 1427874024 /nfs/dbraw/zinc/87/40/24/1427874024.db2.gz ANPRLNVCANKNRH-QZTJIDSGSA-N 2 2 376.545 3.149 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175767538 1427885319 /nfs/dbraw/zinc/88/53/19/1427885319.db2.gz OVQCOEBGRQWIEI-UHFFFAOYSA-N 2 2 387.553 3.342 20 0 GGADLP c1sc(CCc2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000175900525 1427959958 /nfs/dbraw/zinc/95/99/58/1427959958.db2.gz CGYOEQAEEIJSIU-UHFFFAOYSA-N 2 2 385.577 3.473 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000175906930 1427964333 /nfs/dbraw/zinc/96/43/33/1427964333.db2.gz NLNXRGQMQYSUOZ-OAQYLSRUSA-N 2 2 384.593 3.140 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)CC1 ZINC000175906950 1427964442 /nfs/dbraw/zinc/96/44/42/1427964442.db2.gz NLNXRGQMQYSUOZ-NRFANRHFSA-N 2 2 384.593 3.140 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000175932227 1427981090 /nfs/dbraw/zinc/98/10/90/1427981090.db2.gz FCPIWXWSHRAHJB-UXHICEINSA-N 2 2 385.483 3.336 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175932227 1427981092 /nfs/dbraw/zinc/98/10/92/1427981092.db2.gz FCPIWXWSHRAHJB-UXHICEINSA-N 2 2 385.483 3.336 20 0 GGADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC2)c1 ZINC000176088800 1428075518 /nfs/dbraw/zinc/07/55/18/1428075518.db2.gz GNHJMHPTANPQOC-MSOLQXFVSA-N 2 2 390.572 3.060 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccc(F)cc4F)CCC3)CC2)CC1 ZINC000180197470 1429798442 /nfs/dbraw/zinc/79/84/42/1429798442.db2.gz FWGWLPKMOBVANW-UHFFFAOYSA-N 2 2 391.506 3.061 20 0 GGADLP Cn1cc([C@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)c2cccc(F)c2)cn1 ZINC000180330560 1429837659 /nfs/dbraw/zinc/83/76/59/1429837659.db2.gz NAKGWOCVZAMYBH-JOCHJYFZSA-N 2 2 382.483 3.379 20 0 GGADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H](c2ccccc2)c2ccccn2)c1 ZINC000180413264 1429861782 /nfs/dbraw/zinc/86/17/82/1429861782.db2.gz YSYMCUOJEADXQZ-HSZRJFAPSA-N 2 2 388.515 3.252 20 0 GGADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180463075 1429875180 /nfs/dbraw/zinc/87/51/80/1429875180.db2.gz RPTIHLVSAIIGKJ-QGZVFWFLSA-N 2 2 395.482 3.331 20 0 GGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000180463075 1429875182 /nfs/dbraw/zinc/87/51/82/1429875182.db2.gz RPTIHLVSAIIGKJ-QGZVFWFLSA-N 2 2 395.482 3.331 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000180483502 1429880118 /nfs/dbraw/zinc/88/01/18/1429880118.db2.gz RWPUTBGQPIYBMI-DYESRHJHSA-N 2 2 396.572 3.139 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]Cc2ccccc2-n2cc[nH+]c2)C1 ZINC000180522766 1429889085 /nfs/dbraw/zinc/88/90/85/1429889085.db2.gz MICIKSVSDISNFR-UHFFFAOYSA-N 2 2 399.491 3.014 20 0 GGADLP CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000180693743 1429981646 /nfs/dbraw/zinc/98/16/46/1429981646.db2.gz FAQXOCTZYOFOCG-GOSISDBHSA-N 2 2 397.519 3.207 20 0 GGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000180779803 1430034512 /nfs/dbraw/zinc/03/45/12/1430034512.db2.gz QFWDUTCHAQBKKY-CTNGQTDRSA-N 2 2 395.551 3.250 20 0 GGADLP CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccs1 ZINC000180779860 1430034585 /nfs/dbraw/zinc/03/45/85/1430034585.db2.gz IMQIEURLNXISDV-IAGOWNOFSA-N 2 2 387.553 3.084 20 0 GGADLP CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCCCC1 ZINC000180781623 1430035743 /nfs/dbraw/zinc/03/57/43/1430035743.db2.gz NAHXSXXYKIRQIP-WOJBJXKFSA-N 2 2 387.572 3.231 20 0 GGADLP CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCCCC1 ZINC000180781603 1430036212 /nfs/dbraw/zinc/03/62/12/1430036212.db2.gz NAHXSXXYKIRQIP-UXHICEINSA-N 2 2 387.572 3.231 20 0 GGADLP CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(C)cc1 ZINC000180783625 1430037490 /nfs/dbraw/zinc/03/74/90/1430037490.db2.gz QRGFIEIPLJSUDM-LEWJYISDSA-N 2 2 395.551 3.331 20 0 GGADLP CCc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000180783520 1430037907 /nfs/dbraw/zinc/03/79/07/1430037907.db2.gz DMUUBDZOSMTGEV-NQIIRXRSSA-N 2 2 395.551 3.195 20 0 GGADLP Cc1cccc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1C ZINC000180785528 1430038222 /nfs/dbraw/zinc/03/82/22/1430038222.db2.gz IDDBIOVUYKPGRK-UXHICEINSA-N 2 2 395.551 3.250 20 0 GGADLP Cc1cccc([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1C ZINC000180785551 1430038359 /nfs/dbraw/zinc/03/83/59/1430038359.db2.gz IDDBIOVUYKPGRK-PMACEKPBSA-N 2 2 395.551 3.250 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180785762 1430038629 /nfs/dbraw/zinc/03/86/29/1430038629.db2.gz BBLBAFRKCSTYML-RHSMWYFYSA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180785762 1430038631 /nfs/dbraw/zinc/03/86/31/1430038631.db2.gz BBLBAFRKCSTYML-RHSMWYFYSA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180785762 1430038639 /nfs/dbraw/zinc/03/86/39/1430038639.db2.gz BBLBAFRKCSTYML-RHSMWYFYSA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180785762 1430038646 /nfs/dbraw/zinc/03/86/46/1430038646.db2.gz BBLBAFRKCSTYML-RHSMWYFYSA-N 2 2 386.462 3.118 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC[C@]3(C)CCCc4ccccc43)CC2)CC1 ZINC000180901280 1430098510 /nfs/dbraw/zinc/09/85/10/1430098510.db2.gz SAQGKTJVHDJJPA-DEOSSOPVSA-N 2 2 398.595 3.138 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csc(-c2ccc(F)cc2)n1 ZINC000180935399 1430123801 /nfs/dbraw/zinc/12/38/01/1430123801.db2.gz BLIMGJSOBUQEKZ-UHFFFAOYSA-N 2 2 376.545 3.407 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csc(-c2ccc(F)cc2)n1 ZINC000180935399 1430123806 /nfs/dbraw/zinc/12/38/06/1430123806.db2.gz BLIMGJSOBUQEKZ-UHFFFAOYSA-N 2 2 376.545 3.407 20 0 GGADLP COc1cccc(-c2nc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)cs2)c1 ZINC000180939229 1430125668 /nfs/dbraw/zinc/12/56/68/1430125668.db2.gz GCEHCHRKOSJWLK-UHFFFAOYSA-N 2 2 388.581 3.277 20 0 GGADLP COc1cccc(-c2nc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cs2)c1 ZINC000180939229 1430125672 /nfs/dbraw/zinc/12/56/72/1430125672.db2.gz GCEHCHRKOSJWLK-UHFFFAOYSA-N 2 2 388.581 3.277 20 0 GGADLP c1sc(CC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)nc1-c1ccccn1 ZINC000181011431 1430166067 /nfs/dbraw/zinc/16/60/67/1430166067.db2.gz WQMWDIFQMNFKRP-UHFFFAOYSA-N 2 2 379.533 3.397 20 0 GGADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181074206 1430198936 /nfs/dbraw/zinc/19/89/36/1430198936.db2.gz MFCVASVFIGTDHP-OAQYLSRUSA-N 2 2 384.524 3.358 20 0 GGADLP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181074206 1430198940 /nfs/dbraw/zinc/19/89/40/1430198940.db2.gz MFCVASVFIGTDHP-OAQYLSRUSA-N 2 2 384.524 3.358 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000181109635 1430214082 /nfs/dbraw/zinc/21/40/82/1430214082.db2.gz DKDVBGHMTCPOOT-UHFFFAOYSA-N 2 2 387.484 3.030 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000181109635 1430214090 /nfs/dbraw/zinc/21/40/90/1430214090.db2.gz DKDVBGHMTCPOOT-UHFFFAOYSA-N 2 2 387.484 3.030 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)ccc2c1 ZINC000181113007 1430214777 /nfs/dbraw/zinc/21/47/77/1430214777.db2.gz JXCGPYWSIDGRPO-GOSISDBHSA-N 2 2 394.519 3.414 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)ccc2c1 ZINC000181113007 1430214780 /nfs/dbraw/zinc/21/47/80/1430214780.db2.gz JXCGPYWSIDGRPO-GOSISDBHSA-N 2 2 394.519 3.414 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000181114161 1430215503 /nfs/dbraw/zinc/21/55/03/1430215503.db2.gz DRYCJEMXQSUOIJ-UHFFFAOYSA-N 2 2 377.492 3.002 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000181114161 1430215506 /nfs/dbraw/zinc/21/55/06/1430215506.db2.gz DRYCJEMXQSUOIJ-UHFFFAOYSA-N 2 2 377.492 3.002 20 0 GGADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccn1 ZINC000181315734 1430271154 /nfs/dbraw/zinc/27/11/54/1430271154.db2.gz BAZDTHIAPACOON-IBGZPJMESA-N 2 2 388.515 3.230 20 0 GGADLP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000181326150 1430273608 /nfs/dbraw/zinc/27/36/08/1430273608.db2.gz DNNRSKSHGCFNIC-LJQANCHMSA-N 2 2 395.551 3.392 20 0 GGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000181326150 1430273609 /nfs/dbraw/zinc/27/36/09/1430273609.db2.gz DNNRSKSHGCFNIC-LJQANCHMSA-N 2 2 395.551 3.392 20 0 GGADLP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000181347605 1430279169 /nfs/dbraw/zinc/27/91/69/1430279169.db2.gz IVZVAYCBQJEHTQ-UHFFFAOYSA-N 2 2 387.911 3.161 20 0 GGADLP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccnc1 ZINC000181358669 1430281308 /nfs/dbraw/zinc/28/13/08/1430281308.db2.gz QMVFTBSYCAVJQZ-UZLBHIALSA-N 2 2 386.927 3.339 20 0 GGADLP Cn1c(C(F)F)nn(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000181400263 1430289317 /nfs/dbraw/zinc/28/93/17/1430289317.db2.gz JAGXHVZKIAPJNY-UHFFFAOYSA-N 2 2 396.511 3.480 20 0 GGADLP Cn1c(C(F)F)nn(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1=S ZINC000181400263 1430289320 /nfs/dbraw/zinc/28/93/20/1430289320.db2.gz JAGXHVZKIAPJNY-UHFFFAOYSA-N 2 2 396.511 3.480 20 0 GGADLP CCOC(=O)N[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)CC(C)C ZINC000181443639 1430300708 /nfs/dbraw/zinc/30/07/08/1430300708.db2.gz TVMABOCIWLEJBA-OAQYLSRUSA-N 2 2 386.540 3.273 20 0 GGADLP CC[NH+](CC)CCCC1CC[NH+](Cn2cc(C)n(-c3cc(C)on3)c2=O)CC1 ZINC000181458403 1430304188 /nfs/dbraw/zinc/30/41/88/1430304188.db2.gz WJCHCDKVEPYVBU-UHFFFAOYSA-N 2 2 389.544 3.035 20 0 GGADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000181506069 1430312002 /nfs/dbraw/zinc/31/20/02/1430312002.db2.gz XHWVELAPFAEDME-UHFFFAOYSA-N 2 2 392.507 3.177 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000181560741 1430320488 /nfs/dbraw/zinc/32/04/88/1430320488.db2.gz XESSGGSDVQOKOQ-XLIONFOSSA-N 2 2 377.492 3.174 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000181560741 1430320490 /nfs/dbraw/zinc/32/04/90/1430320490.db2.gz XESSGGSDVQOKOQ-XLIONFOSSA-N 2 2 377.492 3.174 20 0 GGADLP COc1cccc2cc([C@H](C)[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)oc21 ZINC000181592513 1430324801 /nfs/dbraw/zinc/32/48/01/1430324801.db2.gz HJNBHTBVWPIOEJ-INIZCTEOSA-N 2 2 380.492 3.439 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(C(=O)OC)o2)CC1 ZINC000181626405 1430330356 /nfs/dbraw/zinc/33/03/56/1430330356.db2.gz LDFWCXPVSKSJGI-HNNXBMFYSA-N 2 2 389.471 3.198 20 0 GGADLP CN(CCC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC000181687829 1430342096 /nfs/dbraw/zinc/34/20/96/1430342096.db2.gz LQMTZRQLYKGDPW-UHFFFAOYSA-N 2 2 386.540 3.369 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)CC1 ZINC000181695121 1430342965 /nfs/dbraw/zinc/34/29/65/1430342965.db2.gz WJTXDOFKJIUIHD-HNNXBMFYSA-N 2 2 392.519 3.300 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)CC1 ZINC000181695121 1430342968 /nfs/dbraw/zinc/34/29/68/1430342968.db2.gz WJTXDOFKJIUIHD-HNNXBMFYSA-N 2 2 392.519 3.300 20 0 GGADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1c(F)cccc1Cl ZINC000181739789 1430350753 /nfs/dbraw/zinc/35/07/53/1430350753.db2.gz OQDYFGZCHNMQFA-HNNXBMFYSA-N 2 2 390.890 3.264 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000181828112 1430368675 /nfs/dbraw/zinc/36/86/75/1430368675.db2.gz UHIFXAUXDGQVHI-HXUWFJFHSA-N 2 2 389.588 3.024 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000181828112 1430368677 /nfs/dbraw/zinc/36/86/77/1430368677.db2.gz UHIFXAUXDGQVHI-HXUWFJFHSA-N 2 2 389.588 3.024 20 0 GGADLP C[C@H](CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000182238194 1430434874 /nfs/dbraw/zinc/43/48/74/1430434874.db2.gz MEWHDFFBTPMBTM-QUCCMNQESA-N 2 2 375.582 3.157 20 0 GGADLP C[C@H](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000182238158 1430434910 /nfs/dbraw/zinc/43/49/10/1430434910.db2.gz MEWHDFFBTPMBTM-UYAOXDASSA-N 2 2 375.582 3.157 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1 ZINC000182330924 1430449667 /nfs/dbraw/zinc/44/96/67/1430449667.db2.gz VTWAUUREWQWVPP-LJQANCHMSA-N 2 2 397.922 3.063 20 0 GGADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182387727 1430457645 /nfs/dbraw/zinc/45/76/45/1430457645.db2.gz PZFLRXQJWJPLBD-HKUYNNGSSA-N 2 2 385.556 3.134 20 0 GGADLP C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182387727 1430457647 /nfs/dbraw/zinc/45/76/47/1430457647.db2.gz PZFLRXQJWJPLBD-HKUYNNGSSA-N 2 2 385.556 3.134 20 0 GGADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182563511 1430493314 /nfs/dbraw/zinc/49/33/14/1430493314.db2.gz UMUGZXAGUNCGMA-MJGOQNOKSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182563511 1430493316 /nfs/dbraw/zinc/49/33/16/1430493316.db2.gz UMUGZXAGUNCGMA-MJGOQNOKSA-N 2 2 381.524 3.325 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)CC1 ZINC000182614457 1430502827 /nfs/dbraw/zinc/50/28/27/1430502827.db2.gz KYRHLRRKEIVQEN-LJQANCHMSA-N 3 2 389.584 3.443 20 0 GGADLP C[C@@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182639934 1430507937 /nfs/dbraw/zinc/50/79/37/1430507937.db2.gz XRUOTZACHLWJCF-IAGOWNOFSA-N 2 2 378.476 3.216 20 0 GGADLP C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182639872 1430507990 /nfs/dbraw/zinc/50/79/90/1430507990.db2.gz XRUOTZACHLWJCF-IRXDYDNUSA-N 2 2 378.476 3.216 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182862209 1430555912 /nfs/dbraw/zinc/55/59/12/1430555912.db2.gz REIHWWJLOSJMLJ-IPMKNSEASA-N 2 2 387.572 3.037 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182862209 1430555915 /nfs/dbraw/zinc/55/59/15/1430555915.db2.gz REIHWWJLOSJMLJ-IPMKNSEASA-N 2 2 387.572 3.037 20 0 GGADLP C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182872279 1430558279 /nfs/dbraw/zinc/55/82/79/1430558279.db2.gz WQFGYWJNYCEXNG-SVFBPWRDSA-N 2 2 399.583 3.123 20 0 GGADLP C[C@@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182872279 1430558287 /nfs/dbraw/zinc/55/82/87/1430558287.db2.gz WQFGYWJNYCEXNG-SVFBPWRDSA-N 2 2 399.583 3.123 20 0 GGADLP Cc1sc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1C ZINC000182950386 1430579005 /nfs/dbraw/zinc/57/90/05/1430579005.db2.gz VYEDYCWDZZNRRU-UHFFFAOYSA-N 2 2 393.597 3.436 20 0 GGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182956891 1430580405 /nfs/dbraw/zinc/58/04/05/1430580405.db2.gz MBZJUVLAOJWSLK-UHFFFAOYSA-N 2 2 393.959 3.411 20 0 GGADLP Cc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000182989727 1430586569 /nfs/dbraw/zinc/58/65/69/1430586569.db2.gz FUEPNHRDLLRTIA-INIZCTEOSA-N 2 2 387.549 3.486 20 0 GGADLP C[C@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183005241 1430590442 /nfs/dbraw/zinc/59/04/42/1430590442.db2.gz GTDZLJHQWHOPHZ-HTAPYJJXSA-N 2 2 389.503 3.495 20 0 GGADLP C[C@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183005241 1430590447 /nfs/dbraw/zinc/59/04/47/1430590447.db2.gz GTDZLJHQWHOPHZ-HTAPYJJXSA-N 2 2 389.503 3.495 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183024202 1430595158 /nfs/dbraw/zinc/59/51/58/1430595158.db2.gz AWRMRERUTHVWOK-WOJBJXKFSA-N 2 2 387.616 3.458 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ncnn2CC(C)C)CC1 ZINC000183104122 1430614587 /nfs/dbraw/zinc/61/45/87/1430614587.db2.gz UXUWXBLFAGHPRH-KRWDZBQOSA-N 2 2 388.535 3.066 20 0 GGADLP c1ccc(C[N@H+]2C[C@H]3CCC[C@H]([NH2+]Cc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000183125850 1430621512 /nfs/dbraw/zinc/62/15/12/1430621512.db2.gz VUJCXMQMNZFGSP-NJYVYQBISA-N 2 2 379.552 3.395 20 0 GGADLP c1ccc(C[N@@H+]2C[C@H]3CCC[C@H]([NH2+]Cc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000183125850 1430621522 /nfs/dbraw/zinc/62/15/22/1430621522.db2.gz VUJCXMQMNZFGSP-NJYVYQBISA-N 2 2 379.552 3.395 20 0 GGADLP C[NH+](C)CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccn1 ZINC000183140088 1430626948 /nfs/dbraw/zinc/62/69/48/1430626948.db2.gz UFGPTHDCSZUONO-UHFFFAOYSA-N 2 2 385.855 3.113 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183176717 1430639562 /nfs/dbraw/zinc/63/95/62/1430639562.db2.gz FWOGTLXGQRQCHS-MJGOQNOKSA-N 2 2 376.545 3.187 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183176717 1430639564 /nfs/dbraw/zinc/63/95/64/1430639564.db2.gz FWOGTLXGQRQCHS-MJGOQNOKSA-N 2 2 376.545 3.187 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000183277731 1430668334 /nfs/dbraw/zinc/66/83/34/1430668334.db2.gz KAVCVRGDAAHKAU-QGZVFWFLSA-N 2 2 385.430 3.155 20 0 GGADLP C[N@@H+]1CCO[C@H]([C@H](NC2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)C1 ZINC000183418766 1430706971 /nfs/dbraw/zinc/70/69/71/1430706971.db2.gz LJZJVDGQZNOJLB-LEWJYISDSA-N 2 2 377.960 3.176 20 0 GGADLP C[N@H+]1CCO[C@H]([C@H](NC2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)C1 ZINC000183418766 1430706973 /nfs/dbraw/zinc/70/69/73/1430706973.db2.gz LJZJVDGQZNOJLB-LEWJYISDSA-N 2 2 377.960 3.176 20 0 GGADLP Cc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1C ZINC000183719505 1430780237 /nfs/dbraw/zinc/78/02/37/1430780237.db2.gz YKOXVEYNUCZNIE-IBGZPJMESA-N 2 2 381.520 3.425 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000183729813 1430782448 /nfs/dbraw/zinc/78/24/48/1430782448.db2.gz VJGADMIUEMFKHP-RDJZCZTQSA-N 2 2 386.565 3.322 20 0 GGADLP COc1ccc([C@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1C[NH+]1CCCCC1 ZINC000183857578 1430805637 /nfs/dbraw/zinc/80/56/37/1430805637.db2.gz OCFMHQDKZLBOSV-KRWDZBQOSA-N 2 2 383.540 3.460 20 0 GGADLP CCCN(CCc1cccs1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000184110947 1430842888 /nfs/dbraw/zinc/84/28/88/1430842888.db2.gz JIZKSZLKTMRCSX-UHFFFAOYSA-N 2 2 392.613 3.271 20 0 GGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000184361291 1430878351 /nfs/dbraw/zinc/87/83/51/1430878351.db2.gz PJRHNZFUYSELAY-LEWJYISDSA-N 2 2 397.567 3.254 20 0 GGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000184361291 1430878352 /nfs/dbraw/zinc/87/83/52/1430878352.db2.gz PJRHNZFUYSELAY-LEWJYISDSA-N 2 2 397.567 3.254 20 0 GGADLP CC(C)[C@H]1CCC[C@@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000184445413 1430888727 /nfs/dbraw/zinc/88/87/27/1430888727.db2.gz DMMBYYJQPJOPJT-RBUKOAKNSA-N 2 2 378.605 3.449 20 0 GGADLP CCC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCc1cccs1 ZINC000184513227 1430896973 /nfs/dbraw/zinc/89/69/73/1430896973.db2.gz FFSHHVFRJFXPSS-UHFFFAOYSA-N 2 2 386.565 3.137 20 0 GGADLP CCC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)CCc1cccs1 ZINC000184513227 1430896975 /nfs/dbraw/zinc/89/69/75/1430896975.db2.gz FFSHHVFRJFXPSS-UHFFFAOYSA-N 2 2 386.565 3.137 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000184603705 1430915956 /nfs/dbraw/zinc/91/59/56/1430915956.db2.gz HHDLXAAYKPJPAI-RTBURBONSA-N 2 2 399.560 3.204 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000184603705 1430915964 /nfs/dbraw/zinc/91/59/64/1430915964.db2.gz HHDLXAAYKPJPAI-RTBURBONSA-N 2 2 399.560 3.204 20 0 GGADLP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ncc(-c2ccccc2)o1 ZINC000184689046 1430943082 /nfs/dbraw/zinc/94/30/82/1430943082.db2.gz ZMVQORDNWJCALX-FXAWDEMLSA-N 2 2 392.503 3.411 20 0 GGADLP COC[C@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)o1 ZINC000184720113 1430952425 /nfs/dbraw/zinc/95/24/25/1430952425.db2.gz OVPVWNNQACFBCG-RXVVDRJESA-N 2 2 399.535 3.034 20 0 GGADLP COc1cc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC(=O)C1CC1 ZINC000184731461 1430956593 /nfs/dbraw/zinc/95/65/93/1430956593.db2.gz NPVSNKUGLLNXRH-MRXNPFEDSA-N 2 2 383.492 3.199 20 0 GGADLP COc1cc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)ccc1OC(=O)C1CC1 ZINC000184731461 1430956612 /nfs/dbraw/zinc/95/66/12/1430956612.db2.gz NPVSNKUGLLNXRH-MRXNPFEDSA-N 2 2 383.492 3.199 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000184731635 1430957558 /nfs/dbraw/zinc/95/75/58/1430957558.db2.gz UTEYCIMSTATUSR-CYBMUJFWSA-N 2 2 380.395 3.384 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000184731635 1430957566 /nfs/dbraw/zinc/95/75/66/1430957566.db2.gz UTEYCIMSTATUSR-CYBMUJFWSA-N 2 2 380.395 3.384 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000184745708 1430962969 /nfs/dbraw/zinc/96/29/69/1430962969.db2.gz FFAFVXKQQNWCBB-HOTGVXAUSA-N 2 2 382.533 3.002 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@]3(C)Cc3ccccc3)CC2)CC1 ZINC000184773353 1430973421 /nfs/dbraw/zinc/97/34/21/1430973421.db2.gz GDVHRWSATQHEHB-DEOSSOPVSA-N 2 2 398.595 3.352 20 0 GGADLP CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000184974357 1431034324 /nfs/dbraw/zinc/03/43/24/1431034324.db2.gz YYMWFMSQUGBVIE-WMZOPIPTSA-N 2 2 388.581 3.426 20 0 GGADLP CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000184974357 1431034329 /nfs/dbraw/zinc/03/43/29/1431034329.db2.gz YYMWFMSQUGBVIE-WMZOPIPTSA-N 2 2 388.581 3.426 20 0 GGADLP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Br)cc1O)N1CC[NH+](C)CC1 ZINC000184977442 1431035088 /nfs/dbraw/zinc/03/50/88/1431035088.db2.gz YWHQSHYPLBGEDW-YOEHRIQHSA-N 2 2 384.362 3.077 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000184995917 1431038111 /nfs/dbraw/zinc/03/81/11/1431038111.db2.gz RUGDCLDUNVQQHL-SFHVURJKSA-N 2 2 383.517 3.192 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000184997236 1431038473 /nfs/dbraw/zinc/03/84/73/1431038473.db2.gz WNZNOKMUWMIROK-WMQCIHAUSA-N 2 2 376.566 3.154 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000184997236 1431038477 /nfs/dbraw/zinc/03/84/77/1431038477.db2.gz WNZNOKMUWMIROK-WMQCIHAUSA-N 2 2 376.566 3.154 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000185134452 1431069357 /nfs/dbraw/zinc/06/93/57/1431069357.db2.gz CUXRQLYJWPBZIY-MRXNPFEDSA-N 2 2 387.480 3.272 20 0 GGADLP COCCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000185148011 1431072293 /nfs/dbraw/zinc/07/22/93/1431072293.db2.gz AJNMHTYXRJRVPZ-WOJBJXKFSA-N 2 2 396.620 3.028 20 0 GGADLP COCCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185148011 1431072298 /nfs/dbraw/zinc/07/22/98/1431072298.db2.gz AJNMHTYXRJRVPZ-WOJBJXKFSA-N 2 2 396.620 3.028 20 0 GGADLP COCCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000185147975 1431072576 /nfs/dbraw/zinc/07/25/76/1431072576.db2.gz AJNMHTYXRJRVPZ-VQTJNVASSA-N 2 2 396.620 3.028 20 0 GGADLP COCCC(C)(C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185147975 1431072578 /nfs/dbraw/zinc/07/25/78/1431072578.db2.gz AJNMHTYXRJRVPZ-VQTJNVASSA-N 2 2 396.620 3.028 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3cccc(Cl)c3F)CC2)CC1 ZINC000185205316 1431084365 /nfs/dbraw/zinc/08/43/65/1431084365.db2.gz SLYDWILQYNJMIA-UHFFFAOYSA-N 2 2 395.950 3.432 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)C1CC1 ZINC000185220846 1431088101 /nfs/dbraw/zinc/08/81/01/1431088101.db2.gz SBBPYDUZNMUWSO-QFIPXVFZSA-N 2 2 381.520 3.384 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)C1CC1 ZINC000185220846 1431088105 /nfs/dbraw/zinc/08/81/05/1431088105.db2.gz SBBPYDUZNMUWSO-QFIPXVFZSA-N 2 2 381.520 3.384 20 0 GGADLP C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000185606457 1431182529 /nfs/dbraw/zinc/18/25/29/1431182529.db2.gz RSPJDXSTERHFTH-XMSQKQJNSA-N 2 2 386.584 3.368 20 0 GGADLP C[C@@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185606457 1431182538 /nfs/dbraw/zinc/18/25/38/1431182538.db2.gz RSPJDXSTERHFTH-XMSQKQJNSA-N 2 2 386.584 3.368 20 0 GGADLP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185671159 1431201558 /nfs/dbraw/zinc/20/15/58/1431201558.db2.gz HQYAINLOQVTKGR-AAEUAGOBSA-N 2 2 377.298 3.301 20 0 GGADLP CCCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185672320 1431201604 /nfs/dbraw/zinc/20/16/04/1431201604.db2.gz QGIPLYDKZSPDRV-JKSUJKDBSA-N 2 2 393.601 3.452 20 0 GGADLP CCCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185672320 1431201608 /nfs/dbraw/zinc/20/16/08/1431201608.db2.gz QGIPLYDKZSPDRV-JKSUJKDBSA-N 2 2 393.601 3.452 20 0 GGADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185671212 1431201636 /nfs/dbraw/zinc/20/16/36/1431201636.db2.gz HQYAINLOQVTKGR-DGCLKSJQSA-N 2 2 377.298 3.301 20 0 GGADLP CCCCCc1nnc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185672336 1431201769 /nfs/dbraw/zinc/20/17/69/1431201769.db2.gz QGIPLYDKZSPDRV-HZPDHXFCSA-N 2 2 393.601 3.452 20 0 GGADLP CCCCCc1nnc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185672336 1431201776 /nfs/dbraw/zinc/20/17/76/1431201776.db2.gz QGIPLYDKZSPDRV-HZPDHXFCSA-N 2 2 393.601 3.452 20 0 GGADLP Cc1ccc(SC[C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000185937547 1431287194 /nfs/dbraw/zinc/28/71/94/1431287194.db2.gz XPNYLZCKKHILKW-SFHVURJKSA-N 2 2 392.613 3.143 20 0 GGADLP Cc1ccc(SC[C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000185937547 1431287201 /nfs/dbraw/zinc/28/72/01/1431287201.db2.gz XPNYLZCKKHILKW-SFHVURJKSA-N 2 2 392.613 3.143 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000185944526 1431289461 /nfs/dbraw/zinc/28/94/61/1431289461.db2.gz LKSDCMGEQHNVEI-CZAAIQMYSA-N 2 2 385.939 3.379 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000185944526 1431289462 /nfs/dbraw/zinc/28/94/62/1431289462.db2.gz LKSDCMGEQHNVEI-CZAAIQMYSA-N 2 2 385.939 3.379 20 0 GGADLP Cc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1NC(=O)CC[NH+](C)C ZINC000186266671 1431366683 /nfs/dbraw/zinc/36/66/83/1431366683.db2.gz DEPLUUNFZUSMCP-UHFFFAOYSA-N 2 2 391.475 3.323 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000186271860 1431367996 /nfs/dbraw/zinc/36/79/96/1431367996.db2.gz PRZAGCFISWAJDD-BVYCBKJFSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000186271860 1431368001 /nfs/dbraw/zinc/36/80/01/1431368001.db2.gz PRZAGCFISWAJDD-BVYCBKJFSA-N 2 2 395.551 3.386 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000186321057 1431381987 /nfs/dbraw/zinc/38/19/87/1431381987.db2.gz ANAXISSECJDMDT-FQEVSTJZSA-N 2 2 377.492 3.044 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000186321057 1431381990 /nfs/dbraw/zinc/38/19/90/1431381990.db2.gz ANAXISSECJDMDT-FQEVSTJZSA-N 2 2 377.492 3.044 20 0 GGADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000186366250 1431393272 /nfs/dbraw/zinc/39/32/72/1431393272.db2.gz HVKMOZRPBQFKKD-QGZVFWFLSA-N 2 2 378.398 3.344 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@@H]21 ZINC000186375036 1431395259 /nfs/dbraw/zinc/39/52/59/1431395259.db2.gz QPYVFGDBPOMXSA-UWWQBHOKSA-N 2 2 381.442 3.227 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@@H]21 ZINC000186375036 1431395266 /nfs/dbraw/zinc/39/52/66/1431395266.db2.gz QPYVFGDBPOMXSA-UWWQBHOKSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@@H]21 ZINC000186375036 1431395272 /nfs/dbraw/zinc/39/52/72/1431395272.db2.gz QPYVFGDBPOMXSA-UWWQBHOKSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@@H]21 ZINC000186375036 1431395276 /nfs/dbraw/zinc/39/52/76/1431395276.db2.gz QPYVFGDBPOMXSA-UWWQBHOKSA-N 2 2 381.442 3.227 20 0 GGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000186880674 1431552500 /nfs/dbraw/zinc/55/25/00/1431552500.db2.gz QPZMWBTWNXHEEN-HTAPYJJXSA-N 2 2 376.508 3.224 20 0 GGADLP C[C@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000186880674 1431552509 /nfs/dbraw/zinc/55/25/09/1431552509.db2.gz QPZMWBTWNXHEEN-HTAPYJJXSA-N 2 2 376.508 3.224 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OCc4ccccc4F)nc3)C2)CC1 ZINC000187002195 1431586588 /nfs/dbraw/zinc/58/65/88/1431586588.db2.gz NROIBNINSYGGEY-NRFANRHFSA-N 2 2 398.526 3.012 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4F)nc3)C2)CC1 ZINC000187002195 1431586590 /nfs/dbraw/zinc/58/65/90/1431586590.db2.gz NROIBNINSYGGEY-NRFANRHFSA-N 2 2 398.526 3.012 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OCc4ccccc4F)nc3)C2)CC1 ZINC000187002170 1431586720 /nfs/dbraw/zinc/58/67/20/1431586720.db2.gz NROIBNINSYGGEY-OAQYLSRUSA-N 2 2 398.526 3.012 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCc4ccccc4F)nc3)C2)CC1 ZINC000187002170 1431586724 /nfs/dbraw/zinc/58/67/24/1431586724.db2.gz NROIBNINSYGGEY-OAQYLSRUSA-N 2 2 398.526 3.012 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OCC)[C@H](C)C1 ZINC000187010483 1431588837 /nfs/dbraw/zinc/58/88/37/1431588837.db2.gz SYARHJHZRFIDPB-CEXWTWQISA-N 2 2 391.556 3.139 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OCC)[C@H](C)C1 ZINC000187010483 1431588843 /nfs/dbraw/zinc/58/88/43/1431588843.db2.gz SYARHJHZRFIDPB-CEXWTWQISA-N 2 2 391.556 3.139 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)[C@H](C)C1 ZINC000187014131 1431590368 /nfs/dbraw/zinc/59/03/68/1431590368.db2.gz PQZKPNKLCRLEHB-SOLBZPMBSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)[C@H](C)C1 ZINC000187014131 1431590370 /nfs/dbraw/zinc/59/03/70/1431590370.db2.gz PQZKPNKLCRLEHB-SOLBZPMBSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000187025017 1431593300 /nfs/dbraw/zinc/59/33/00/1431593300.db2.gz SURILNNRYYXDEP-VQIMIIECSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000187025017 1431593306 /nfs/dbraw/zinc/59/33/06/1431593306.db2.gz SURILNNRYYXDEP-VQIMIIECSA-N 2 2 381.948 3.314 20 0 GGADLP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CCS(=O)(=O)CC1 ZINC000187230378 1431657928 /nfs/dbraw/zinc/65/79/28/1431657928.db2.gz GAOJCQHWOQCQPZ-MSOLQXFVSA-N 2 2 378.582 3.453 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187469729 1431740948 /nfs/dbraw/zinc/74/09/48/1431740948.db2.gz WRKMLNRRWAWRTK-KRWDZBQOSA-N 2 2 397.445 3.236 20 0 GGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000187478437 1431744025 /nfs/dbraw/zinc/74/40/25/1431744025.db2.gz OXLOUKKLDLXXMW-OAQYLSRUSA-N 2 2 383.540 3.386 20 0 GGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000187478437 1431744027 /nfs/dbraw/zinc/74/40/27/1431744027.db2.gz OXLOUKKLDLXXMW-OAQYLSRUSA-N 2 2 383.540 3.386 20 0 GGADLP CCOc1ccc(/C=C/C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000187614089 1431779369 /nfs/dbraw/zinc/77/93/69/1431779369.db2.gz BKSAEXCXGMLEIY-SOFGYWHQSA-N 2 2 385.552 3.082 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc([N+](=O)[O-])c(Cl)c3)cc2)CC1 ZINC000187668539 1431795184 /nfs/dbraw/zinc/79/51/84/1431795184.db2.gz WFUAYTHPYHPTPX-UHFFFAOYSA-N 2 2 388.899 3.285 20 0 GGADLP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000187904890 1431825908 /nfs/dbraw/zinc/82/59/08/1431825908.db2.gz IKHGJZCTSCCJQA-ZJSXRUAMSA-N 2 2 392.547 3.220 20 0 GGADLP OC1CC[NH+](Cc2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)CC1 ZINC000187969836 1431832440 /nfs/dbraw/zinc/83/24/40/1431832440.db2.gz RBCOYNYFPCYTQB-QFIPXVFZSA-N 2 2 376.504 3.246 20 0 GGADLP Cc1ccc2c(C[N@@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000188283622 1431869348 /nfs/dbraw/zinc/86/93/48/1431869348.db2.gz KAYSPDASUUIOMA-DEOSSOPVSA-N 2 2 392.499 3.170 20 0 GGADLP Cc1ccc2c(C[N@H+](C)C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000188283622 1431869350 /nfs/dbraw/zinc/86/93/50/1431869350.db2.gz KAYSPDASUUIOMA-DEOSSOPVSA-N 2 2 392.499 3.170 20 0 GGADLP Cc1ccc2c(C[NH+](C)C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000188283622 1431869352 /nfs/dbraw/zinc/86/93/52/1431869352.db2.gz KAYSPDASUUIOMA-DEOSSOPVSA-N 2 2 392.499 3.170 20 0 GGADLP Cc1ccc2c(C[NH+](C)C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)cc(=O)oc2c1 ZINC000188283622 1431869354 /nfs/dbraw/zinc/86/93/54/1431869354.db2.gz KAYSPDASUUIOMA-DEOSSOPVSA-N 2 2 392.499 3.170 20 0 GGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)C[C@H](C)O1 ZINC000188993427 1432023698 /nfs/dbraw/zinc/02/36/98/1432023698.db2.gz XSPVEWQLLMNBJE-IYBDPMFKSA-N 2 2 388.487 3.197 20 0 GGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)C[C@H](C)O1 ZINC000188993427 1432023704 /nfs/dbraw/zinc/02/37/04/1432023704.db2.gz XSPVEWQLLMNBJE-IYBDPMFKSA-N 2 2 388.487 3.197 20 0 GGADLP C[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000189042362 1432033217 /nfs/dbraw/zinc/03/32/17/1432033217.db2.gz TUJBNYNXZVLNKY-SMVLHYPJSA-N 2 2 383.536 3.304 20 0 GGADLP C[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000189042362 1432033222 /nfs/dbraw/zinc/03/32/22/1432033222.db2.gz TUJBNYNXZVLNKY-SMVLHYPJSA-N 2 2 383.536 3.304 20 0 GGADLP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000189096515 1432044349 /nfs/dbraw/zinc/04/43/49/1432044349.db2.gz FHLQOTVXRGVGEV-QHCPKHFHSA-N 2 2 377.532 3.350 20 0 GGADLP COc1ccc([C@@H](C)[NH2+][C@H](C)c2nnnn2C2CC2)cc1C[NH+]1CCCCC1 ZINC000189119174 1432048050 /nfs/dbraw/zinc/04/80/50/1432048050.db2.gz KJFVRKARZAONHB-HZPDHXFCSA-N 2 2 384.528 3.414 20 0 GGADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]CCCNc2cccc[nH+]2)CC1 ZINC000189277337 1432076744 /nfs/dbraw/zinc/07/67/44/1432076744.db2.gz KOCYOKRJVKPILV-UHFFFAOYSA-N 2 2 378.476 3.081 20 0 GGADLP COc1ccc([C@@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+](C)C)cc1OC ZINC000189405684 1432099890 /nfs/dbraw/zinc/09/98/90/1432099890.db2.gz CKFAEHKHMWQUCT-QGZVFWFLSA-N 2 2 385.512 3.199 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(C(F)(F)F)c(F)c3)CC2)CC1 ZINC000189499047 1432135838 /nfs/dbraw/zinc/13/58/38/1432135838.db2.gz FNBPDFJGQSSONE-UHFFFAOYSA-N 2 2 387.421 3.133 20 0 GGADLP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000189878362 1432260433 /nfs/dbraw/zinc/26/04/33/1432260433.db2.gz KTCZOPBXSONDGK-GOSISDBHSA-N 2 2 390.576 3.064 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000189999613 1432302067 /nfs/dbraw/zinc/30/20/67/1432302067.db2.gz YCUHOGXJJHBPNQ-AOIWGVFYSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000189999613 1432302070 /nfs/dbraw/zinc/30/20/70/1432302070.db2.gz YCUHOGXJJHBPNQ-AOIWGVFYSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000189999143 1432302121 /nfs/dbraw/zinc/30/21/21/1432302121.db2.gz RTFICAZPXYQFCY-APWZRJJASA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000189999143 1432302126 /nfs/dbraw/zinc/30/21/26/1432302126.db2.gz RTFICAZPXYQFCY-APWZRJJASA-N 2 2 379.570 3.074 20 0 GGADLP CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000190021395 1432306236 /nfs/dbraw/zinc/30/62/36/1432306236.db2.gz IKNIQGNGBCYQRJ-PMACEKPBSA-N 2 2 391.581 3.111 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000190318502 1432360084 /nfs/dbraw/zinc/36/00/84/1432360084.db2.gz BOQLCLYVFCTIMY-XMMPIXPASA-N 2 2 390.531 3.454 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000190318502 1432360090 /nfs/dbraw/zinc/36/00/90/1432360090.db2.gz BOQLCLYVFCTIMY-XMMPIXPASA-N 2 2 390.531 3.454 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000190318502 1432360094 /nfs/dbraw/zinc/36/00/94/1432360094.db2.gz BOQLCLYVFCTIMY-XMMPIXPASA-N 2 2 390.531 3.454 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000190318502 1432360098 /nfs/dbraw/zinc/36/00/98/1432360098.db2.gz BOQLCLYVFCTIMY-XMMPIXPASA-N 2 2 390.531 3.454 20 0 GGADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1c[nH]c2ccccc12 ZINC000190505418 1432394386 /nfs/dbraw/zinc/39/43/86/1432394386.db2.gz ZDXVREHGNLAVKU-UHFFFAOYSA-N 2 2 391.519 3.124 20 0 GGADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1c[nH]c2ccccc12 ZINC000190505418 1432394389 /nfs/dbraw/zinc/39/43/89/1432394389.db2.gz ZDXVREHGNLAVKU-UHFFFAOYSA-N 2 2 391.519 3.124 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000190542184 1432402093 /nfs/dbraw/zinc/40/20/93/1432402093.db2.gz DRQAFEZRTJZPHM-UHFFFAOYSA-N 2 2 375.561 3.274 20 0 GGADLP CCCn1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc2ccccc21 ZINC000190691262 1432443861 /nfs/dbraw/zinc/44/38/61/1432443861.db2.gz LCSWXTJGUYHKCV-UHFFFAOYSA-N 2 2 382.552 3.340 20 0 GGADLP CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000191287470 1432621733 /nfs/dbraw/zinc/62/17/33/1432621733.db2.gz SOBVWGZXERYCBF-QZTJIDSGSA-N 2 2 376.545 3.101 20 0 GGADLP CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000191287384 1432622118 /nfs/dbraw/zinc/62/21/18/1432622118.db2.gz NNIADCYUROICHS-OALUTQOASA-N 2 2 390.572 3.491 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000191490933 1432671024 /nfs/dbraw/zinc/67/10/24/1432671024.db2.gz LZSYUAPDMPFWDE-MRXNPFEDSA-N 2 2 394.527 3.430 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000191490933 1432671029 /nfs/dbraw/zinc/67/10/29/1432671029.db2.gz LZSYUAPDMPFWDE-MRXNPFEDSA-N 2 2 394.527 3.430 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000191501105 1432673381 /nfs/dbraw/zinc/67/33/81/1432673381.db2.gz KSUCWWVBYZJYIA-UHFFFAOYSA-N 2 2 393.875 3.358 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000191501105 1432673384 /nfs/dbraw/zinc/67/33/84/1432673384.db2.gz KSUCWWVBYZJYIA-UHFFFAOYSA-N 2 2 393.875 3.358 20 0 GGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCS2 ZINC000191503184 1432674017 /nfs/dbraw/zinc/67/40/17/1432674017.db2.gz IOMGGXNTUZUQCC-IBGZPJMESA-N 2 2 384.549 3.169 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([S@@](C)=O)cc1 ZINC000191832835 1432734914 /nfs/dbraw/zinc/73/49/14/1432734914.db2.gz MSZZOFFNYZYHIX-CLQOQPCJSA-N 2 2 386.561 3.366 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([S@@](C)=O)cc1 ZINC000191832835 1432734919 /nfs/dbraw/zinc/73/49/19/1432734919.db2.gz MSZZOFFNYZYHIX-CLQOQPCJSA-N 2 2 386.561 3.366 20 0 GGADLP CCOC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000191833238 1432735395 /nfs/dbraw/zinc/73/53/95/1432735395.db2.gz BOAMENDHYCSOMN-ACRUOGEOSA-N 2 2 396.620 3.026 20 0 GGADLP CCOC[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000191833238 1432735399 /nfs/dbraw/zinc/73/53/99/1432735399.db2.gz BOAMENDHYCSOMN-ACRUOGEOSA-N 2 2 396.620 3.026 20 0 GGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835510 1432735909 /nfs/dbraw/zinc/73/59/09/1432735909.db2.gz HUQXFBFXAHKEQY-IRLDBZIGSA-N 2 2 387.568 3.048 20 0 GGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835510 1432735914 /nfs/dbraw/zinc/73/59/14/1432735914.db2.gz HUQXFBFXAHKEQY-IRLDBZIGSA-N 2 2 387.568 3.048 20 0 GGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191835485 1432736217 /nfs/dbraw/zinc/73/62/17/1432736217.db2.gz HUQXFBFXAHKEQY-IFMALSPDSA-N 2 2 387.568 3.048 20 0 GGADLP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191835485 1432736221 /nfs/dbraw/zinc/73/62/21/1432736221.db2.gz HUQXFBFXAHKEQY-IFMALSPDSA-N 2 2 387.568 3.048 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000191840356 1432737174 /nfs/dbraw/zinc/73/71/74/1432737174.db2.gz ZTJNVNIYAMJYQO-NQIIRXRSSA-N 2 2 382.504 3.400 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000191840356 1432737182 /nfs/dbraw/zinc/73/71/82/1432737182.db2.gz ZTJNVNIYAMJYQO-NQIIRXRSSA-N 2 2 382.504 3.400 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000191840324 1432737403 /nfs/dbraw/zinc/73/74/03/1432737403.db2.gz ZTJNVNIYAMJYQO-GHTZIAJQSA-N 2 2 382.504 3.400 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000191840324 1432737408 /nfs/dbraw/zinc/73/74/08/1432737408.db2.gz ZTJNVNIYAMJYQO-GHTZIAJQSA-N 2 2 382.504 3.400 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000192349697 1432834989 /nfs/dbraw/zinc/83/49/89/1432834989.db2.gz OWJNWXDAXCLQPU-CEXWTWQISA-N 2 2 377.577 3.234 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000192349697 1432834992 /nfs/dbraw/zinc/83/49/92/1432834992.db2.gz OWJNWXDAXCLQPU-CEXWTWQISA-N 2 2 377.577 3.234 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCCC[C@H]3CO)nc[nH+]2)CC1 ZINC000192354134 1432835629 /nfs/dbraw/zinc/83/56/29/1432835629.db2.gz NBJGTDMZHQLAHP-FQEVSTJZSA-N 2 2 389.588 3.166 20 0 GGADLP CC[NH+](CC)CCCC1CCN(c2cc(N3CCCC[C@H]3CO)[nH+]cn2)CC1 ZINC000192354134 1432835630 /nfs/dbraw/zinc/83/56/30/1432835630.db2.gz NBJGTDMZHQLAHP-FQEVSTJZSA-N 2 2 389.588 3.166 20 0 GGADLP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357088 1432836306 /nfs/dbraw/zinc/83/63/06/1432836306.db2.gz NNQIBQPJVXWWHS-OAQYLSRUSA-N 2 2 377.488 3.321 20 0 GGADLP O=c1[nH]c2ccccc2cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357088 1432836307 /nfs/dbraw/zinc/83/63/07/1432836307.db2.gz NNQIBQPJVXWWHS-OAQYLSRUSA-N 2 2 377.488 3.321 20 0 GGADLP COCCOc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358045 1432836521 /nfs/dbraw/zinc/83/65/21/1432836521.db2.gz NZAVTADUIGMLQD-QHCPKHFHSA-N 2 2 384.520 3.093 20 0 GGADLP COCCOc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358045 1432836522 /nfs/dbraw/zinc/83/65/22/1432836522.db2.gz NZAVTADUIGMLQD-QHCPKHFHSA-N 2 2 384.520 3.093 20 0 GGADLP C[C@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000192469143 1432848509 /nfs/dbraw/zinc/84/85/09/1432848509.db2.gz MMMFFEPYYJTUMM-QFBILLFUSA-N 2 2 385.474 3.232 20 0 GGADLP c1ccc2c(c1)NCCC[C@@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000192738677 1432882636 /nfs/dbraw/zinc/88/26/36/1432882636.db2.gz LKYTYRVXSLJULY-QHCPKHFHSA-N 2 2 381.520 3.434 20 0 GGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCNc3ccccc32)c1 ZINC000192763494 1432886542 /nfs/dbraw/zinc/88/65/42/1432886542.db2.gz IWYZTVMYLFJNAB-JOCHJYFZSA-N 2 2 381.520 3.434 20 0 GGADLP CCC[NH+]1CCN(c2ccc(NC(=O)CCc3c[nH+]cn3C)cc2Cl)CC1 ZINC000192881016 1432902801 /nfs/dbraw/zinc/90/28/01/1432902801.db2.gz MPMPGLAJSGSKOI-UHFFFAOYSA-N 2 2 389.931 3.177 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc(-c4ccco4)s3)cc2)CC1 ZINC000193014965 1432922319 /nfs/dbraw/zinc/92/23/19/1432922319.db2.gz LIPNOVDQOVUXBR-UHFFFAOYSA-N 2 2 382.533 3.440 20 0 GGADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000193131468 1432941426 /nfs/dbraw/zinc/94/14/26/1432941426.db2.gz ZRMXYEOFHPTZDP-VQTJNVASSA-N 2 2 382.508 3.115 20 0 GGADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000193131468 1432941429 /nfs/dbraw/zinc/94/14/29/1432941429.db2.gz ZRMXYEOFHPTZDP-VQTJNVASSA-N 2 2 382.508 3.115 20 0 GGADLP COc1ncccc1C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000193462654 1433003599 /nfs/dbraw/zinc/00/35/99/1433003599.db2.gz RWQVZPZSPDYNMY-UHFFFAOYSA-N 2 2 384.524 3.207 20 0 GGADLP COc1ncccc1C[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000193462654 1433003601 /nfs/dbraw/zinc/00/36/01/1433003601.db2.gz RWQVZPZSPDYNMY-UHFFFAOYSA-N 2 2 384.524 3.207 20 0 GGADLP C[N@H+](CCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000193528108 1433014619 /nfs/dbraw/zinc/01/46/19/1433014619.db2.gz PQJXIPMAYGGUSI-UHFFFAOYSA-N 2 2 383.540 3.385 20 0 GGADLP C[N@@H+](CCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000193528108 1433014624 /nfs/dbraw/zinc/01/46/24/1433014624.db2.gz PQJXIPMAYGGUSI-UHFFFAOYSA-N 2 2 383.540 3.385 20 0 GGADLP CC(C)(C)[NH+]1CCC(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000193845298 1433071897 /nfs/dbraw/zinc/07/18/97/1433071897.db2.gz UTHYEGGHZXCZTR-UHFFFAOYSA-N 2 2 383.540 3.036 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N3CC[NH+](Cc4ccccc4C)CC3)CC2)[nH+]c1 ZINC000194065600 1433110529 /nfs/dbraw/zinc/11/05/29/1433110529.db2.gz MTOQQZXDQBETBU-UHFFFAOYSA-N 2 2 392.547 3.259 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](COC)c2ccc(Cl)cc2)nc[nH+]1 ZINC000194094410 1433116277 /nfs/dbraw/zinc/11/62/77/1433116277.db2.gz RNUPMQLRAYFTPM-SJORKVTESA-N 2 2 375.904 3.118 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](C)[N@@H+]3CCc4sccc4C3)CC2)[nH+]c1 ZINC000194140113 1433124025 /nfs/dbraw/zinc/12/40/25/1433124025.db2.gz AKRVFQFHNNUVME-QGZVFWFLSA-N 2 2 398.576 3.231 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](C)[N@H+]3CCc4sccc4C3)CC2)[nH+]c1 ZINC000194140113 1433124026 /nfs/dbraw/zinc/12/40/26/1433124026.db2.gz AKRVFQFHNNUVME-QGZVFWFLSA-N 2 2 398.576 3.231 20 0 GGADLP C[C@@H](CC[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000194387706 1433170510 /nfs/dbraw/zinc/17/05/10/1433170510.db2.gz HIIGPZNNXBFAAC-PZJWPPBQSA-N 2 2 395.551 3.065 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000194432760 1433177214 /nfs/dbraw/zinc/17/72/14/1433177214.db2.gz RRCCYRSPSJTRIU-HXUWFJFHSA-N 2 2 396.535 3.371 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000194432760 1433177215 /nfs/dbraw/zinc/17/72/15/1433177215.db2.gz RRCCYRSPSJTRIU-HXUWFJFHSA-N 2 2 396.535 3.371 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000194432747 1433177246 /nfs/dbraw/zinc/17/72/46/1433177246.db2.gz RRCCYRSPSJTRIU-FQEVSTJZSA-N 2 2 396.535 3.371 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000194432747 1433177247 /nfs/dbraw/zinc/17/72/47/1433177247.db2.gz RRCCYRSPSJTRIU-FQEVSTJZSA-N 2 2 396.535 3.371 20 0 GGADLP O=C(C[NH2+][C@@H](c1ccccc1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000194553432 1433196456 /nfs/dbraw/zinc/19/64/56/1433196456.db2.gz OJAZJOYZCQJROT-QHCPKHFHSA-N 2 2 379.504 3.198 20 0 GGADLP CSc1ccccc1[C@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000194874815 1433253587 /nfs/dbraw/zinc/25/35/87/1433253587.db2.gz HDQFXORVVCEYMN-KRWDZBQOSA-N 2 2 384.549 3.193 20 0 GGADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000194879821 1433255580 /nfs/dbraw/zinc/25/55/80/1433255580.db2.gz QKXXNTZGRXMVTB-KDOFPFPSSA-N 2 2 377.920 3.083 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[NH+](C(C)C)C3)c2C1 ZINC000194909278 1433262445 /nfs/dbraw/zinc/26/24/45/1433262445.db2.gz FCSZQKBYZJXHTA-GOSISDBHSA-N 2 2 394.563 3.463 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[NH+](C(C)C)C3)c2C1 ZINC000194909278 1433262450 /nfs/dbraw/zinc/26/24/50/1433262450.db2.gz FCSZQKBYZJXHTA-GOSISDBHSA-N 2 2 394.563 3.463 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)c2C1 ZINC000194909278 1433262453 /nfs/dbraw/zinc/26/24/53/1433262453.db2.gz FCSZQKBYZJXHTA-GOSISDBHSA-N 2 2 394.563 3.463 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)c2C1 ZINC000194909278 1433262456 /nfs/dbraw/zinc/26/24/56/1433262456.db2.gz FCSZQKBYZJXHTA-GOSISDBHSA-N 2 2 394.563 3.463 20 0 GGADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000194946246 1433270512 /nfs/dbraw/zinc/27/05/12/1433270512.db2.gz YZCCELJYQALYPO-LJQANCHMSA-N 2 2 375.582 3.156 20 0 GGADLP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](c3ncc[nH]3)c3cccnc3)CC2)oc1C ZINC000195033482 1433283768 /nfs/dbraw/zinc/28/37/68/1433283768.db2.gz PZQFCWVNBDRHGX-FQEVSTJZSA-N 2 2 380.496 3.001 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccco1 ZINC000195073264 1433288748 /nfs/dbraw/zinc/28/87/48/1433288748.db2.gz NBWVTNXWPXNTCH-IBGZPJMESA-N 2 2 384.524 3.399 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195136330 1433297564 /nfs/dbraw/zinc/29/75/64/1433297564.db2.gz DTQOMZKAPRVFAQ-SFLYRZDNSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195136330 1433297568 /nfs/dbraw/zinc/29/75/68/1433297568.db2.gz DTQOMZKAPRVFAQ-SFLYRZDNSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195136330 1433297571 /nfs/dbraw/zinc/29/75/71/1433297571.db2.gz DTQOMZKAPRVFAQ-SFLYRZDNSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195136330 1433297576 /nfs/dbraw/zinc/29/75/76/1433297576.db2.gz DTQOMZKAPRVFAQ-SFLYRZDNSA-N 3 2 378.564 3.404 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N(CC[NH+](C)C)Cc3ccccc3)CC2)[nH+]c1 ZINC000195150957 1433299959 /nfs/dbraw/zinc/29/99/59/1433299959.db2.gz XMENOMGTNVMSJZ-UHFFFAOYSA-N 2 2 380.536 3.197 20 0 GGADLP Cc1nc2ccccc2c(C)c1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195203527 1433306790 /nfs/dbraw/zinc/30/67/90/1433306790.db2.gz LZNGGYKKJOFETG-UHFFFAOYSA-N 2 2 394.563 3.069 20 0 GGADLP COc1cccc([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000195286778 1433315276 /nfs/dbraw/zinc/31/52/76/1433315276.db2.gz HMSYDFSRAVILLC-FCHUYYIVSA-N 2 2 381.520 3.251 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+]2CCC(OC3CCCC3)CC2)CC1 ZINC000195320300 1433318581 /nfs/dbraw/zinc/31/85/81/1433318581.db2.gz YGTBOCDRDDMWBU-UHFFFAOYSA-N 2 2 399.579 3.063 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3N3CCCCC3)CC2)CC1 ZINC000195341283 1433320930 /nfs/dbraw/zinc/32/09/30/1433320930.db2.gz QUBDKLZCMZBNIK-UHFFFAOYSA-N 2 2 399.583 3.357 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)CC1 ZINC000195343518 1433321090 /nfs/dbraw/zinc/32/10/90/1433321090.db2.gz ZKZBDIKINKMBJV-UHFFFAOYSA-N 2 2 397.523 3.385 20 0 GGADLP CCC(CC)c1nnc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000195344037 1433321120 /nfs/dbraw/zinc/32/11/20/1433321120.db2.gz YZDZEUGEXQIUAW-UHFFFAOYSA-N 2 2 394.589 3.122 20 0 GGADLP CCc1nc2cc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)ccc2o1 ZINC000195344268 1433321147 /nfs/dbraw/zinc/32/11/47/1433321147.db2.gz FGXZUNSTPIPFQK-UHFFFAOYSA-N 2 2 385.512 3.070 20 0 GGADLP COc1ccc(Cl)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000195343885 1433321164 /nfs/dbraw/zinc/32/11/64/1433321164.db2.gz MQNSOMQXHQGLCJ-UHFFFAOYSA-N 2 2 380.920 3.029 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@@H](c4ccccc4)C3)CC2)c1 ZINC000195737234 1433346137 /nfs/dbraw/zinc/34/61/37/1433346137.db2.gz ACHHVTGCKLIKLY-HSZRJFAPSA-N 2 2 377.532 3.129 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@@H](c4ccccc4)C3)CC2)c1 ZINC000195737234 1433346140 /nfs/dbraw/zinc/34/61/40/1433346140.db2.gz ACHHVTGCKLIKLY-HSZRJFAPSA-N 2 2 377.532 3.129 20 0 GGADLP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000228635353 1433371480 /nfs/dbraw/zinc/37/14/80/1433371480.db2.gz VKLBMQUIXPRNHY-XQBPLPMBSA-N 2 2 387.568 3.397 20 0 GGADLP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000228635353 1433371482 /nfs/dbraw/zinc/37/14/82/1433371482.db2.gz VKLBMQUIXPRNHY-XQBPLPMBSA-N 2 2 387.568 3.397 20 0 GGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000236698632 1433376550 /nfs/dbraw/zinc/37/65/50/1433376550.db2.gz URBYNQJCJHNTDD-UHFFFAOYSA-N 2 2 395.547 3.145 20 0 GGADLP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236905675 1433382934 /nfs/dbraw/zinc/38/29/34/1433382934.db2.gz TYGKXLLIVIFQMN-FHWLQOOXSA-N 2 2 375.875 3.431 20 0 GGADLP CC[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236905675 1433382937 /nfs/dbraw/zinc/38/29/37/1433382937.db2.gz TYGKXLLIVIFQMN-FHWLQOOXSA-N 2 2 375.875 3.431 20 0 GGADLP CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000236904939 1433383009 /nfs/dbraw/zinc/38/30/09/1433383009.db2.gz FZABUXDMMYKLBC-ZWKOTPCHSA-N 2 2 389.590 3.423 20 0 GGADLP CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000236904939 1433383011 /nfs/dbraw/zinc/38/30/11/1433383011.db2.gz FZABUXDMMYKLBC-ZWKOTPCHSA-N 2 2 389.590 3.423 20 0 GGADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)CCCC2)no1 ZINC000236942695 1433383718 /nfs/dbraw/zinc/38/37/18/1433383718.db2.gz GHJDZVSBCNSZGU-VQIMIIECSA-N 2 2 399.539 3.133 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000236979928 1433384891 /nfs/dbraw/zinc/38/48/91/1433384891.db2.gz SDQMBQPKLBQGJZ-XMSQKQJNSA-N 2 2 381.520 3.066 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000236979958 1433384904 /nfs/dbraw/zinc/38/49/04/1433384904.db2.gz SDQMBQPKLBQGJZ-GCJKJVERSA-N 2 2 381.520 3.066 20 0 GGADLP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000236994789 1433385510 /nfs/dbraw/zinc/38/55/10/1433385510.db2.gz DTVCOZAHSREGST-XXBNENTESA-N 2 2 394.563 3.316 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)cc2)CC1 ZINC000237089871 1433388658 /nfs/dbraw/zinc/38/86/58/1433388658.db2.gz ZCAXTOOYTIKBQO-UHFFFAOYSA-N 2 2 379.548 3.437 20 0 GGADLP COc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)ccc1OCc1ccccc1 ZINC000237227335 1433393234 /nfs/dbraw/zinc/39/32/34/1433393234.db2.gz QEZCRKWIKUROHC-JOCHJYFZSA-N 2 2 398.547 3.457 20 0 GGADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(C)c3)CC2)cc1C#N ZINC000237379182 1433399829 /nfs/dbraw/zinc/39/98/29/1433399829.db2.gz GNVCPRVZENLATF-UHFFFAOYSA-N 2 2 378.520 3.177 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)CC[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000237418582 1433402130 /nfs/dbraw/zinc/40/21/30/1433402130.db2.gz ANMMJDKTXVBXGV-QGZVFWFLSA-N 2 2 375.563 3.034 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)CC[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000237418582 1433402139 /nfs/dbraw/zinc/40/21/39/1433402139.db2.gz ANMMJDKTXVBXGV-QGZVFWFLSA-N 2 2 375.563 3.034 20 0 GGADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000237754829 1433421111 /nfs/dbraw/zinc/42/11/11/1433421111.db2.gz AXXSFFQKKLGBSM-RHSMWYFYSA-N 2 2 379.907 3.122 20 0 GGADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237757931 1433421692 /nfs/dbraw/zinc/42/16/92/1433421692.db2.gz AXXSFFQKKLGBSM-YOEHRIQHSA-N 2 2 379.907 3.122 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000237802854 1433425137 /nfs/dbraw/zinc/42/51/37/1433425137.db2.gz CROORLQSOCLUJI-RBUKOAKNSA-N 2 2 389.902 3.302 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000237805548 1433425200 /nfs/dbraw/zinc/42/52/00/1433425200.db2.gz CROORLQSOCLUJI-OALUTQOASA-N 2 2 389.902 3.302 20 0 GGADLP [NH3+]Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000237945202 1433436153 /nfs/dbraw/zinc/43/61/53/1433436153.db2.gz HMHONOQLDJGUIS-UHFFFAOYSA-N 2 2 381.398 3.105 20 0 GGADLP [NH3+]Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)o1 ZINC000237945202 1433436154 /nfs/dbraw/zinc/43/61/54/1433436154.db2.gz HMHONOQLDJGUIS-UHFFFAOYSA-N 2 2 381.398 3.105 20 0 GGADLP O=C(CCC1CC[NH2+]CC1)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000237978297 1433437846 /nfs/dbraw/zinc/43/78/46/1433437846.db2.gz RGSLTIFNUOYQCF-UHFFFAOYSA-N 2 2 384.549 3.420 20 0 GGADLP O=C(CCC1CC[NH2+]CC1)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000237978297 1433437852 /nfs/dbraw/zinc/43/78/52/1433437852.db2.gz RGSLTIFNUOYQCF-UHFFFAOYSA-N 2 2 384.549 3.420 20 0 GGADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245442099 1433468939 /nfs/dbraw/zinc/46/89/39/1433468939.db2.gz HTVPDXUYIGKCLB-SIKLNZKXSA-N 2 2 397.538 3.327 20 0 GGADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245442099 1433468944 /nfs/dbraw/zinc/46/89/44/1433468944.db2.gz HTVPDXUYIGKCLB-SIKLNZKXSA-N 2 2 397.538 3.327 20 0 GGADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245442099 1433468950 /nfs/dbraw/zinc/46/89/50/1433468950.db2.gz HTVPDXUYIGKCLB-SIKLNZKXSA-N 2 2 397.538 3.327 20 0 GGADLP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245442099 1433468955 /nfs/dbraw/zinc/46/89/55/1433468955.db2.gz HTVPDXUYIGKCLB-SIKLNZKXSA-N 2 2 397.538 3.327 20 0 GGADLP COc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245449167 1433469985 /nfs/dbraw/zinc/46/99/85/1433469985.db2.gz NLRAXMQODVZGEJ-TZIWHRDSSA-N 2 2 395.547 3.154 20 0 GGADLP COc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245449167 1433469986 /nfs/dbraw/zinc/46/99/86/1433469986.db2.gz NLRAXMQODVZGEJ-TZIWHRDSSA-N 2 2 395.547 3.154 20 0 GGADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245449167 1433469987 /nfs/dbraw/zinc/46/99/87/1433469987.db2.gz NLRAXMQODVZGEJ-TZIWHRDSSA-N 2 2 395.547 3.154 20 0 GGADLP COc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245449167 1433469988 /nfs/dbraw/zinc/46/99/88/1433469988.db2.gz NLRAXMQODVZGEJ-TZIWHRDSSA-N 2 2 395.547 3.154 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245462674 1433473114 /nfs/dbraw/zinc/47/31/14/1433473114.db2.gz XBCYVFUUSDQYKQ-NFBKMPQASA-N 2 2 379.548 3.487 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245462674 1433473115 /nfs/dbraw/zinc/47/31/15/1433473115.db2.gz XBCYVFUUSDQYKQ-NFBKMPQASA-N 2 2 379.548 3.487 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245462674 1433473116 /nfs/dbraw/zinc/47/31/16/1433473116.db2.gz XBCYVFUUSDQYKQ-NFBKMPQASA-N 2 2 379.548 3.487 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245462674 1433473117 /nfs/dbraw/zinc/47/31/17/1433473117.db2.gz XBCYVFUUSDQYKQ-NFBKMPQASA-N 2 2 379.548 3.487 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000245517409 1433480394 /nfs/dbraw/zinc/48/03/94/1433480394.db2.gz AACLVEZKHAYHGR-CTNGQTDRSA-N 2 2 399.583 3.346 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000245517409 1433480395 /nfs/dbraw/zinc/48/03/95/1433480395.db2.gz AACLVEZKHAYHGR-CTNGQTDRSA-N 2 2 399.583 3.346 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1C ZINC000245552919 1433484249 /nfs/dbraw/zinc/48/42/49/1433484249.db2.gz DTWUNWWEYRUPTN-XLIONFOSSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1C ZINC000245552919 1433484251 /nfs/dbraw/zinc/48/42/51/1433484251.db2.gz DTWUNWWEYRUPTN-XLIONFOSSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000245552919 1433484255 /nfs/dbraw/zinc/48/42/55/1433484255.db2.gz DTWUNWWEYRUPTN-XLIONFOSSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000245552919 1433484256 /nfs/dbraw/zinc/48/42/56/1433484256.db2.gz DTWUNWWEYRUPTN-XLIONFOSSA-N 2 2 390.572 3.149 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000245554870 1433484693 /nfs/dbraw/zinc/48/46/93/1433484693.db2.gz HMAUVMAWDUEODD-MSOLQXFVSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000245554870 1433484697 /nfs/dbraw/zinc/48/46/97/1433484697.db2.gz HMAUVMAWDUEODD-MSOLQXFVSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000245554870 1433484699 /nfs/dbraw/zinc/48/46/99/1433484699.db2.gz HMAUVMAWDUEODD-MSOLQXFVSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000245554870 1433484701 /nfs/dbraw/zinc/48/47/01/1433484701.db2.gz HMAUVMAWDUEODD-MSOLQXFVSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245567054 1433486585 /nfs/dbraw/zinc/48/65/85/1433486585.db2.gz RTDLSDWTYQOKSI-FSPWUOQZSA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245567054 1433486587 /nfs/dbraw/zinc/48/65/87/1433486587.db2.gz RTDLSDWTYQOKSI-FSPWUOQZSA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000245573989 1433487181 /nfs/dbraw/zinc/48/71/81/1433487181.db2.gz DCFGYSGKCYJTLT-YZGWKJHDSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000245573989 1433487183 /nfs/dbraw/zinc/48/71/83/1433487183.db2.gz DCFGYSGKCYJTLT-YZGWKJHDSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000245617409 1433491636 /nfs/dbraw/zinc/49/16/36/1433491636.db2.gz VRHOJZPSBIEEPI-CRAIPNDOSA-N 2 2 376.451 3.121 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccnc1OCC(F)F ZINC000245617409 1433491638 /nfs/dbraw/zinc/49/16/38/1433491638.db2.gz VRHOJZPSBIEEPI-CRAIPNDOSA-N 2 2 376.451 3.121 20 0 GGADLP CC(C)CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245622249 1433491928 /nfs/dbraw/zinc/49/19/28/1433491928.db2.gz BFQXYPCZADHTOT-HMXCVIKNSA-N 2 2 381.605 3.233 20 0 GGADLP CC(C)CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245622249 1433491929 /nfs/dbraw/zinc/49/19/29/1433491929.db2.gz BFQXYPCZADHTOT-HMXCVIKNSA-N 2 2 381.605 3.233 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245627628 1433492922 /nfs/dbraw/zinc/49/29/22/1433492922.db2.gz CQWQIQBJSRLYLX-NHCUHLMSSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245627628 1433492925 /nfs/dbraw/zinc/49/29/25/1433492925.db2.gz CQWQIQBJSRLYLX-NHCUHLMSSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)COc1ccccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245684768 1433499096 /nfs/dbraw/zinc/49/90/96/1433499096.db2.gz IGEGZSOAERQLHI-WOJBJXKFSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)COc1ccccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245684768 1433499099 /nfs/dbraw/zinc/49/90/99/1433499099.db2.gz IGEGZSOAERQLHI-WOJBJXKFSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)c1cccc(F)c1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245694451 1433501029 /nfs/dbraw/zinc/50/10/29/1433501029.db2.gz KENZRCDDBLUOSN-RTBURBONSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cccc(F)c1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245694451 1433501034 /nfs/dbraw/zinc/50/10/34/1433501034.db2.gz KENZRCDDBLUOSN-RTBURBONSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)CCCc1ccccn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245697261 1433501980 /nfs/dbraw/zinc/50/19/80/1433501980.db2.gz KRDWHHUNYXXSAI-FGZHOGPDSA-N 2 2 386.584 3.200 20 0 GGADLP CN(C(=O)CCCc1ccccn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245697261 1433501985 /nfs/dbraw/zinc/50/19/85/1433501985.db2.gz KRDWHHUNYXXSAI-FGZHOGPDSA-N 2 2 386.584 3.200 20 0 GGADLP CN(C(=O)Cc1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245723466 1433506323 /nfs/dbraw/zinc/50/63/23/1433506323.db2.gz QGTPKYCBMGTPOH-LEWJYISDSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245723466 1433506325 /nfs/dbraw/zinc/50/63/25/1433506325.db2.gz QGTPKYCBMGTPOH-LEWJYISDSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737875 1433508751 /nfs/dbraw/zinc/50/87/51/1433508751.db2.gz UEHMJAREHIDFBW-VQTJNVASSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737875 1433508755 /nfs/dbraw/zinc/50/87/55/1433508755.db2.gz UEHMJAREHIDFBW-VQTJNVASSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)CCc1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245739219 1433508918 /nfs/dbraw/zinc/50/89/18/1433508918.db2.gz UPTBENWFXGTXPR-WOJBJXKFSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)CCc1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245739219 1433508921 /nfs/dbraw/zinc/50/89/21/1433508921.db2.gz UPTBENWFXGTXPR-WOJBJXKFSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)c1cc(Cl)ccn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245748845 1433510825 /nfs/dbraw/zinc/51/08/25/1433510825.db2.gz XAWOYCUYUAWITJ-RBUKOAKNSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1cc(Cl)ccn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245748845 1433510829 /nfs/dbraw/zinc/51/08/29/1433510829.db2.gz XAWOYCUYUAWITJ-RBUKOAKNSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245759871 1433513520 /nfs/dbraw/zinc/51/35/20/1433513520.db2.gz ZQBZUNXCQJHTMM-FCHUYYIVSA-N 2 2 386.584 3.162 20 0 GGADLP CN(C)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245759871 1433513527 /nfs/dbraw/zinc/51/35/27/1433513527.db2.gz ZQBZUNXCQJHTMM-FCHUYYIVSA-N 2 2 386.584 3.162 20 0 GGADLP C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000245819199 1433521863 /nfs/dbraw/zinc/52/18/63/1433521863.db2.gz DMNMBEXYIZJMAL-ZWOKBUDYSA-N 2 2 391.943 3.467 20 0 GGADLP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000245819199 1433521867 /nfs/dbraw/zinc/52/18/67/1433521867.db2.gz DMNMBEXYIZJMAL-ZWOKBUDYSA-N 2 2 391.943 3.467 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245857253 1433527396 /nfs/dbraw/zinc/52/73/96/1433527396.db2.gz KGNKOXWAGAOLTI-DOTOQJQBSA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245857253 1433527400 /nfs/dbraw/zinc/52/74/00/1433527400.db2.gz KGNKOXWAGAOLTI-DOTOQJQBSA-N 2 2 397.441 3.133 20 0 GGADLP CC(C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000245984670 1433553270 /nfs/dbraw/zinc/55/32/70/1433553270.db2.gz VZYHKCUXKQSQFH-JTSKRJEESA-N 2 2 386.515 3.327 20 0 GGADLP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000245984670 1433553275 /nfs/dbraw/zinc/55/32/75/1433553275.db2.gz VZYHKCUXKQSQFH-JTSKRJEESA-N 2 2 386.515 3.327 20 0 GGADLP C[N@@H+]1CCO[C@@H]([C@@H](NC2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)C1 ZINC000246028010 1433559432 /nfs/dbraw/zinc/55/94/32/1433559432.db2.gz LJZJVDGQZNOJLB-RTWAWAEBSA-N 2 2 377.960 3.176 20 0 GGADLP C[N@H+]1CCO[C@@H]([C@@H](NC2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)C1 ZINC000246028010 1433559436 /nfs/dbraw/zinc/55/94/36/1433559436.db2.gz LJZJVDGQZNOJLB-RTWAWAEBSA-N 2 2 377.960 3.176 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246123498 1433571492 /nfs/dbraw/zinc/57/14/92/1433571492.db2.gz KMKIEBSNHHPUTJ-PXNSSMCTSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246123498 1433571497 /nfs/dbraw/zinc/57/14/97/1433571497.db2.gz KMKIEBSNHHPUTJ-PXNSSMCTSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246123498 1433571501 /nfs/dbraw/zinc/57/15/01/1433571501.db2.gz KMKIEBSNHHPUTJ-PXNSSMCTSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246123498 1433571504 /nfs/dbraw/zinc/57/15/04/1433571504.db2.gz KMKIEBSNHHPUTJ-PXNSSMCTSA-N 2 2 394.519 3.297 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000246146446 1433574484 /nfs/dbraw/zinc/57/44/84/1433574484.db2.gz LLQIJLMIDUORQG-QRVBRYPASA-N 2 2 388.556 3.101 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000246146446 1433574488 /nfs/dbraw/zinc/57/44/88/1433574488.db2.gz LLQIJLMIDUORQG-QRVBRYPASA-N 2 2 388.556 3.101 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163590 1433576807 /nfs/dbraw/zinc/57/68/07/1433576807.db2.gz IIIZMNPSKMQUIN-KNQAVFIVSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163590 1433576808 /nfs/dbraw/zinc/57/68/08/1433576808.db2.gz IIIZMNPSKMQUIN-KNQAVFIVSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163590 1433576810 /nfs/dbraw/zinc/57/68/10/1433576810.db2.gz IIIZMNPSKMQUIN-KNQAVFIVSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)C1 ZINC000246163590 1433576813 /nfs/dbraw/zinc/57/68/13/1433576813.db2.gz IIIZMNPSKMQUIN-KNQAVFIVSA-N 2 2 387.568 3.413 20 0 GGADLP CN(C(=O)NCc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246179328 1433578296 /nfs/dbraw/zinc/57/82/96/1433578296.db2.gz DAIKUHPJLDFYKB-LEWJYISDSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246179328 1433578298 /nfs/dbraw/zinc/57/82/98/1433578298.db2.gz DAIKUHPJLDFYKB-LEWJYISDSA-N 2 2 390.547 3.304 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246221817 1433583527 /nfs/dbraw/zinc/58/35/27/1433583527.db2.gz QOCSNESKLRELNL-HOTGVXAUSA-N 2 2 381.923 3.244 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246221817 1433583530 /nfs/dbraw/zinc/58/35/30/1433583530.db2.gz QOCSNESKLRELNL-HOTGVXAUSA-N 2 2 381.923 3.244 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000246280279 1433589091 /nfs/dbraw/zinc/58/90/91/1433589091.db2.gz UGYAYHXVQYFIJY-OEWRPIJISA-N 2 2 391.519 3.290 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000246280279 1433589093 /nfs/dbraw/zinc/58/90/93/1433589093.db2.gz UGYAYHXVQYFIJY-OEWRPIJISA-N 2 2 391.519 3.290 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246318344 1433594427 /nfs/dbraw/zinc/59/44/27/1433594427.db2.gz RJPAAWFCPFETMV-KBXCAEBGSA-N 2 2 378.879 3.217 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000246318344 1433594430 /nfs/dbraw/zinc/59/44/30/1433594430.db2.gz RJPAAWFCPFETMV-KBXCAEBGSA-N 2 2 378.879 3.217 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246408705 1433608328 /nfs/dbraw/zinc/60/83/28/1433608328.db2.gz BKNKEWBIGMYYQJ-KUDFPVQQSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246408705 1433608330 /nfs/dbraw/zinc/60/83/30/1433608330.db2.gz BKNKEWBIGMYYQJ-KUDFPVQQSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246408705 1433608333 /nfs/dbraw/zinc/60/83/33/1433608333.db2.gz BKNKEWBIGMYYQJ-KUDFPVQQSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246408705 1433608337 /nfs/dbraw/zinc/60/83/37/1433608337.db2.gz BKNKEWBIGMYYQJ-KUDFPVQQSA-N 2 2 391.506 3.433 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C)C1 ZINC000246436839 1433612836 /nfs/dbraw/zinc/61/28/36/1433612836.db2.gz OGIJAMJHJOAYFX-YTQUADARSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C)C1 ZINC000246436839 1433612837 /nfs/dbraw/zinc/61/28/37/1433612837.db2.gz OGIJAMJHJOAYFX-YTQUADARSA-N 2 2 393.959 3.172 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246435871 1433612842 /nfs/dbraw/zinc/61/28/42/1433612842.db2.gz CUMKNPDCVXZEGK-PUHATCMVSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246435871 1433612843 /nfs/dbraw/zinc/61/28/43/1433612843.db2.gz CUMKNPDCVXZEGK-PUHATCMVSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246435871 1433612844 /nfs/dbraw/zinc/61/28/44/1433612844.db2.gz CUMKNPDCVXZEGK-PUHATCMVSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246435871 1433612845 /nfs/dbraw/zinc/61/28/45/1433612845.db2.gz CUMKNPDCVXZEGK-PUHATCMVSA-N 2 2 383.580 3.491 20 0 GGADLP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000246439508 1433613401 /nfs/dbraw/zinc/61/34/01/1433613401.db2.gz KFGKMNFKJYWSER-SPEDKVCISA-N 2 2 396.535 3.106 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506495 1433623114 /nfs/dbraw/zinc/62/31/14/1433623114.db2.gz HYCFTHPCJIKVHB-SYNHAJSKSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506495 1433623118 /nfs/dbraw/zinc/62/31/18/1433623118.db2.gz HYCFTHPCJIKVHB-SYNHAJSKSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246506495 1433623125 /nfs/dbraw/zinc/62/31/25/1433623125.db2.gz HYCFTHPCJIKVHB-SYNHAJSKSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccc(Cl)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246506495 1433623129 /nfs/dbraw/zinc/62/31/29/1433623129.db2.gz HYCFTHPCJIKVHB-SYNHAJSKSA-N 2 2 375.944 3.293 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246528872 1433625875 /nfs/dbraw/zinc/62/58/75/1433625875.db2.gz JGIRZODATIUMOL-NZQKXSOJSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246528872 1433625878 /nfs/dbraw/zinc/62/58/78/1433625878.db2.gz JGIRZODATIUMOL-NZQKXSOJSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246528872 1433625881 /nfs/dbraw/zinc/62/58/81/1433625881.db2.gz JGIRZODATIUMOL-NZQKXSOJSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246528872 1433625884 /nfs/dbraw/zinc/62/58/84/1433625884.db2.gz JGIRZODATIUMOL-NZQKXSOJSA-N 2 2 399.579 3.430 20 0 GGADLP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000246546940 1433629492 /nfs/dbraw/zinc/62/94/92/1433629492.db2.gz WFHKHXGYBYVXAH-FDDCHVKYSA-N 2 2 399.535 3.368 20 0 GGADLP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000246546940 1433629493 /nfs/dbraw/zinc/62/94/93/1433629493.db2.gz WFHKHXGYBYVXAH-FDDCHVKYSA-N 2 2 399.535 3.368 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)nc[nH+]1 ZINC000246553442 1433630364 /nfs/dbraw/zinc/63/03/64/1433630364.db2.gz WRQKAZWPFNHKON-DFQSSKMNSA-N 3 2 386.588 3.120 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000246584387 1433634728 /nfs/dbraw/zinc/63/47/28/1433634728.db2.gz YXROIHQTFGDIFW-VQIMIIECSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000246584387 1433634729 /nfs/dbraw/zinc/63/47/29/1433634729.db2.gz YXROIHQTFGDIFW-VQIMIIECSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246721179 1433655601 /nfs/dbraw/zinc/65/56/01/1433655601.db2.gz NDPCLFSXHZHKBB-VQTJNVASSA-N 2 2 387.572 3.124 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246721179 1433655602 /nfs/dbraw/zinc/65/56/02/1433655602.db2.gz NDPCLFSXHZHKBB-VQTJNVASSA-N 2 2 387.572 3.124 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815784 1433673065 /nfs/dbraw/zinc/67/30/65/1433673065.db2.gz NMRHFGLPCHPUDG-JLMNBJLZSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246815784 1433673068 /nfs/dbraw/zinc/67/30/68/1433673068.db2.gz NMRHFGLPCHPUDG-JLMNBJLZSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246815784 1433673072 /nfs/dbraw/zinc/67/30/72/1433673072.db2.gz NMRHFGLPCHPUDG-JLMNBJLZSA-N 2 2 385.596 3.409 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246815784 1433673075 /nfs/dbraw/zinc/67/30/75/1433673075.db2.gz NMRHFGLPCHPUDG-JLMNBJLZSA-N 2 2 385.596 3.409 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246820600 1433673906 /nfs/dbraw/zinc/67/39/06/1433673906.db2.gz NSXQZHZNMATYPI-YWZLYKJASA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246820600 1433673909 /nfs/dbraw/zinc/67/39/09/1433673909.db2.gz NSXQZHZNMATYPI-YWZLYKJASA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246820600 1433673913 /nfs/dbraw/zinc/67/39/13/1433673913.db2.gz NSXQZHZNMATYPI-YWZLYKJASA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246820600 1433673917 /nfs/dbraw/zinc/67/39/17/1433673917.db2.gz NSXQZHZNMATYPI-YWZLYKJASA-N 2 2 393.934 3.386 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000246884758 1433682894 /nfs/dbraw/zinc/68/28/94/1433682894.db2.gz DGHQVODELCNYHT-FXAWDEMLSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000246884758 1433682896 /nfs/dbraw/zinc/68/28/96/1433682896.db2.gz DGHQVODELCNYHT-FXAWDEMLSA-N 2 2 388.556 3.281 20 0 GGADLP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1OC ZINC000246897701 1433684515 /nfs/dbraw/zinc/68/45/15/1433684515.db2.gz FEZQFVMHICNBGW-YLJYHZDGSA-N 2 2 399.535 3.150 20 0 GGADLP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1OC ZINC000246897701 1433684516 /nfs/dbraw/zinc/68/45/16/1433684516.db2.gz FEZQFVMHICNBGW-YLJYHZDGSA-N 2 2 399.535 3.150 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246908445 1433685832 /nfs/dbraw/zinc/68/58/32/1433685832.db2.gz RUVSXHKVYGEUAY-WFXMLNOXSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246908445 1433685835 /nfs/dbraw/zinc/68/58/35/1433685835.db2.gz RUVSXHKVYGEUAY-WFXMLNOXSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000246908445 1433685839 /nfs/dbraw/zinc/68/58/39/1433685839.db2.gz RUVSXHKVYGEUAY-WFXMLNOXSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000246908445 1433685842 /nfs/dbraw/zinc/68/58/42/1433685842.db2.gz RUVSXHKVYGEUAY-WFXMLNOXSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246908427 1433686053 /nfs/dbraw/zinc/68/60/53/1433686053.db2.gz RUVSXHKVYGEUAY-UEXGIBASSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246908427 1433686054 /nfs/dbraw/zinc/68/60/54/1433686054.db2.gz RUVSXHKVYGEUAY-UEXGIBASSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000246908427 1433686055 /nfs/dbraw/zinc/68/60/55/1433686055.db2.gz RUVSXHKVYGEUAY-UEXGIBASSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000246908427 1433686056 /nfs/dbraw/zinc/68/60/56/1433686056.db2.gz RUVSXHKVYGEUAY-UEXGIBASSA-N 2 2 398.551 3.289 20 0 GGADLP C[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000246913282 1433686333 /nfs/dbraw/zinc/68/63/33/1433686333.db2.gz FYEDFZWJTBOZCI-LQWHRVPQSA-N 2 2 384.593 3.390 20 0 GGADLP C[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000246913282 1433686335 /nfs/dbraw/zinc/68/63/35/1433686335.db2.gz FYEDFZWJTBOZCI-LQWHRVPQSA-N 2 2 384.593 3.390 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247300473 1433702496 /nfs/dbraw/zinc/70/24/96/1433702496.db2.gz FDLINAXGUUMYMX-STZQEDGTSA-N 2 2 395.551 3.389 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247300473 1433702502 /nfs/dbraw/zinc/70/25/02/1433702502.db2.gz FDLINAXGUUMYMX-STZQEDGTSA-N 2 2 395.551 3.389 20 0 GGADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000247313378 1433704020 /nfs/dbraw/zinc/70/40/20/1433704020.db2.gz KFUOHWJYGKBJET-QRVBRYPASA-N 2 2 388.556 3.101 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000247313378 1433704025 /nfs/dbraw/zinc/70/40/25/1433704025.db2.gz KFUOHWJYGKBJET-QRVBRYPASA-N 2 2 388.556 3.101 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247310757 1433704495 /nfs/dbraw/zinc/70/44/95/1433704495.db2.gz QUAQKJDLUYZSPO-GJZGRUSLSA-N 2 2 390.915 3.364 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247310757 1433704502 /nfs/dbraw/zinc/70/45/02/1433704502.db2.gz QUAQKJDLUYZSPO-GJZGRUSLSA-N 2 2 390.915 3.364 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000247332250 1433708192 /nfs/dbraw/zinc/70/81/92/1433708192.db2.gz JIMYSCLIVOQVFF-UNMCSNQZSA-N 2 2 386.584 3.065 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000247332250 1433708198 /nfs/dbraw/zinc/70/81/98/1433708198.db2.gz JIMYSCLIVOQVFF-UNMCSNQZSA-N 2 2 386.584 3.065 20 0 GGADLP C[N@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCC1 ZINC000247415329 1433719049 /nfs/dbraw/zinc/71/90/49/1433719049.db2.gz JTJKHDWCEXTXNH-NHCUHLMSSA-N 2 2 381.524 3.285 20 0 GGADLP C[N@@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCC1 ZINC000247415329 1433719057 /nfs/dbraw/zinc/71/90/57/1433719057.db2.gz JTJKHDWCEXTXNH-NHCUHLMSSA-N 2 2 381.524 3.285 20 0 GGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000247425557 1433720829 /nfs/dbraw/zinc/72/08/29/1433720829.db2.gz ZKVSLUDPNOFFEX-OALUTQOASA-N 2 2 389.588 3.285 20 0 GGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000247425557 1433720833 /nfs/dbraw/zinc/72/08/33/1433720833.db2.gz ZKVSLUDPNOFFEX-OALUTQOASA-N 2 2 389.588 3.285 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000247495004 1433729692 /nfs/dbraw/zinc/72/96/92/1433729692.db2.gz ZXTRQRJIONGPEL-GIVPXCGWSA-N 2 2 395.551 3.047 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000247495004 1433729698 /nfs/dbraw/zinc/72/96/98/1433729698.db2.gz ZXTRQRJIONGPEL-GIVPXCGWSA-N 2 2 395.551 3.047 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)c1ccco1 ZINC000247524238 1433732855 /nfs/dbraw/zinc/73/28/55/1433732855.db2.gz OKHDJQVHOFUNJW-SFHLNBCPSA-N 2 2 393.491 3.307 20 0 GGADLP O=C1[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000247523219 1433733055 /nfs/dbraw/zinc/73/30/55/1433733055.db2.gz NPLJJBZAFWEAKG-LPHOPBHVSA-N 2 2 393.478 3.201 20 0 GGADLP O=C1[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000247523219 1433733060 /nfs/dbraw/zinc/73/30/60/1433733060.db2.gz NPLJJBZAFWEAKG-LPHOPBHVSA-N 2 2 393.478 3.201 20 0 GGADLP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247536600 1433734303 /nfs/dbraw/zinc/73/43/03/1433734303.db2.gz PSKRVCFEZQNVRY-UYWIDEMCSA-N 2 2 381.524 3.284 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000247539437 1433734814 /nfs/dbraw/zinc/73/48/14/1433734814.db2.gz JXVDCACGOHWKSA-NRSPTQNISA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000247539437 1433734818 /nfs/dbraw/zinc/73/48/18/1433734818.db2.gz JXVDCACGOHWKSA-NRSPTQNISA-N 2 2 381.524 3.140 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000247577492 1433738883 /nfs/dbraw/zinc/73/88/83/1433738883.db2.gz SKPNHAKSPVYAAZ-GGAORHGYSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000247577492 1433738889 /nfs/dbraw/zinc/73/88/89/1433738889.db2.gz SKPNHAKSPVYAAZ-GGAORHGYSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000247577492 1433738893 /nfs/dbraw/zinc/73/88/93/1433738893.db2.gz SKPNHAKSPVYAAZ-GGAORHGYSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000247577492 1433738897 /nfs/dbraw/zinc/73/88/97/1433738897.db2.gz SKPNHAKSPVYAAZ-GGAORHGYSA-N 2 2 396.531 3.083 20 0 GGADLP CCc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000247626209 1433740993 /nfs/dbraw/zinc/74/09/93/1433740993.db2.gz NNPXRTLIZNIPHU-YYWHXJBOSA-N 2 2 383.540 3.341 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)c3cccc(O)c3)CC2)cc1 ZINC000247727486 1433747942 /nfs/dbraw/zinc/74/79/42/1433747942.db2.gz TUCNYXJDNRUXBM-HXUWFJFHSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)c3cccc(O)c3)CC2)cc1 ZINC000247727486 1433747945 /nfs/dbraw/zinc/74/79/45/1433747945.db2.gz TUCNYXJDNRUXBM-HXUWFJFHSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3cccc(O)c3)CC2)cc1 ZINC000247727486 1433747952 /nfs/dbraw/zinc/74/79/52/1433747952.db2.gz TUCNYXJDNRUXBM-HXUWFJFHSA-N 2 2 395.547 3.428 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247772873 1433750165 /nfs/dbraw/zinc/75/01/65/1433750165.db2.gz WIUZJIXFUBBLRH-IIAWOOMASA-N 2 2 378.423 3.395 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247772873 1433750169 /nfs/dbraw/zinc/75/01/69/1433750169.db2.gz WIUZJIXFUBBLRH-IIAWOOMASA-N 2 2 378.423 3.395 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000247942397 1433758087 /nfs/dbraw/zinc/75/80/87/1433758087.db2.gz GJZGTZTYAIZKLU-PMACEKPBSA-N 2 2 375.557 3.277 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000247942397 1433758091 /nfs/dbraw/zinc/75/80/91/1433758091.db2.gz GJZGTZTYAIZKLU-PMACEKPBSA-N 2 2 375.557 3.277 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000247980266 1433761090 /nfs/dbraw/zinc/76/10/90/1433761090.db2.gz IGRIYYJPAANAFU-YZGWKJHDSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000247980266 1433761095 /nfs/dbraw/zinc/76/10/95/1433761095.db2.gz IGRIYYJPAANAFU-YZGWKJHDSA-N 2 2 388.556 3.281 20 0 GGADLP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247981282 1433761152 /nfs/dbraw/zinc/76/11/52/1433761152.db2.gz IJPKXZDOPAWHAA-OFAXGOBFSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247981282 1433761158 /nfs/dbraw/zinc/76/11/58/1433761158.db2.gz IJPKXZDOPAWHAA-OFAXGOBFSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247981280 1433761274 /nfs/dbraw/zinc/76/12/74/1433761274.db2.gz IJPKXZDOPAWHAA-CDNPAEQRSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1 ZINC000247981280 1433761281 /nfs/dbraw/zinc/76/12/81/1433761281.db2.gz IJPKXZDOPAWHAA-CDNPAEQRSA-N 2 2 383.536 3.402 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247994722 1433762005 /nfs/dbraw/zinc/76/20/05/1433762005.db2.gz JUBUDKGGWQJJPE-CLCXKQKWSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247994722 1433762013 /nfs/dbraw/zinc/76/20/13/1433762013.db2.gz JUBUDKGGWQJJPE-CLCXKQKWSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247994722 1433762018 /nfs/dbraw/zinc/76/20/18/1433762018.db2.gz JUBUDKGGWQJJPE-CLCXKQKWSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247994722 1433762025 /nfs/dbraw/zinc/76/20/25/1433762025.db2.gz JUBUDKGGWQJJPE-CLCXKQKWSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247998998 1433762644 /nfs/dbraw/zinc/76/26/44/1433762644.db2.gz KFITXNBDHSZSJF-NGYIFUPDSA-N 2 2 390.531 3.406 20 0 GGADLP COc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248383703 1433791023 /nfs/dbraw/zinc/79/10/23/1433791023.db2.gz BABVRJJKNNBVHA-VQTJNVASSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(F)cc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248383703 1433791030 /nfs/dbraw/zinc/79/10/30/1433791030.db2.gz BABVRJJKNNBVHA-VQTJNVASSA-N 2 2 391.531 3.244 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248405318 1433799126 /nfs/dbraw/zinc/79/91/26/1433799126.db2.gz REIHWWJLOSJMLJ-FHWLQOOXSA-N 2 2 387.572 3.037 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248405318 1433799131 /nfs/dbraw/zinc/79/91/31/1433799131.db2.gz REIHWWJLOSJMLJ-FHWLQOOXSA-N 2 2 387.572 3.037 20 0 GGADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409341 1433800277 /nfs/dbraw/zinc/80/02/77/1433800277.db2.gz WQFGYWJNYCEXNG-ZJOUEHCJSA-N 2 2 399.583 3.123 20 0 GGADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409341 1433800278 /nfs/dbraw/zinc/80/02/78/1433800278.db2.gz WQFGYWJNYCEXNG-ZJOUEHCJSA-N 2 2 399.583 3.123 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000248529184 1433807095 /nfs/dbraw/zinc/80/70/95/1433807095.db2.gz WNZNOKMUWMIROK-JRGCBEDISA-N 2 2 376.566 3.154 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000248529184 1433807096 /nfs/dbraw/zinc/80/70/96/1433807096.db2.gz WNZNOKMUWMIROK-JRGCBEDISA-N 2 2 376.566 3.154 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CC1 ZINC000248553613 1433808152 /nfs/dbraw/zinc/80/81/52/1433808152.db2.gz JOHKZJRCBYWKGJ-CTNGQTDRSA-N 2 2 395.551 3.008 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CC1 ZINC000248553613 1433808153 /nfs/dbraw/zinc/80/81/53/1433808153.db2.gz JOHKZJRCBYWKGJ-CTNGQTDRSA-N 2 2 395.551 3.008 20 0 GGADLP CCC[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000248572071 1433809209 /nfs/dbraw/zinc/80/92/09/1433809209.db2.gz ONCMWFWOZDCAOF-YJMBLLCNSA-N 2 2 393.616 3.377 20 0 GGADLP CCC[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000248572071 1433809210 /nfs/dbraw/zinc/80/92/10/1433809210.db2.gz ONCMWFWOZDCAOF-YJMBLLCNSA-N 2 2 393.616 3.377 20 0 GGADLP CCC[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000248572074 1433809239 /nfs/dbraw/zinc/80/92/39/1433809239.db2.gz ONCMWFWOZDCAOF-ZHHKINOHSA-N 2 2 393.616 3.377 20 0 GGADLP CCC[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000248572074 1433809240 /nfs/dbraw/zinc/80/92/40/1433809240.db2.gz ONCMWFWOZDCAOF-ZHHKINOHSA-N 2 2 393.616 3.377 20 0 GGADLP Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000248583364 1433809730 /nfs/dbraw/zinc/80/97/30/1433809730.db2.gz PEQZQOCQAAJIMQ-FFZOFVMBSA-N 2 2 398.576 3.271 20 0 GGADLP Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000248583364 1433809731 /nfs/dbraw/zinc/80/97/31/1433809731.db2.gz PEQZQOCQAAJIMQ-FFZOFVMBSA-N 2 2 398.576 3.271 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248668403 1433814521 /nfs/dbraw/zinc/81/45/21/1433814521.db2.gz OWJNWXDAXCLQPU-GUDVDZBRSA-N 2 2 377.577 3.234 20 0 GGADLP CN(C(=O)Nc1cccc(F)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248732002 1433818343 /nfs/dbraw/zinc/81/83/43/1433818343.db2.gz OVZOMOJSUZCMDI-IAGOWNOFSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1cccc(F)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248732002 1433818344 /nfs/dbraw/zinc/81/83/44/1433818344.db2.gz OVZOMOJSUZCMDI-IAGOWNOFSA-N 2 2 377.508 3.022 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735180 1433818468 /nfs/dbraw/zinc/81/84/68/1433818468.db2.gz QPYVFGDBPOMXSA-KYJSFNMBSA-N 2 2 381.442 3.227 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735180 1433818469 /nfs/dbraw/zinc/81/84/69/1433818469.db2.gz QPYVFGDBPOMXSA-KYJSFNMBSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735180 1433818471 /nfs/dbraw/zinc/81/84/71/1433818471.db2.gz QPYVFGDBPOMXSA-KYJSFNMBSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)CC[C@H]21 ZINC000248735180 1433818473 /nfs/dbraw/zinc/81/84/73/1433818473.db2.gz QPYVFGDBPOMXSA-KYJSFNMBSA-N 2 2 381.442 3.227 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000248738918 1433819037 /nfs/dbraw/zinc/81/90/37/1433819037.db2.gz DXARPXTWLCQQLR-AZUAARDMSA-N 2 2 381.524 3.093 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000248738918 1433819038 /nfs/dbraw/zinc/81/90/38/1433819038.db2.gz DXARPXTWLCQQLR-AZUAARDMSA-N 2 2 381.524 3.093 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](COC)c2ccc(Cl)cc2)nc[nH+]1 ZINC000248742902 1433819309 /nfs/dbraw/zinc/81/93/09/1433819309.db2.gz RNUPMQLRAYFTPM-DLBZAZTESA-N 2 2 375.904 3.118 20 0 GGADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248825310 1433824392 /nfs/dbraw/zinc/82/43/92/1433824392.db2.gz LVJRJXODWSKRMG-MSOLQXFVSA-N 2 2 378.586 3.114 20 0 GGADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248825310 1433824393 /nfs/dbraw/zinc/82/43/93/1433824393.db2.gz LVJRJXODWSKRMG-MSOLQXFVSA-N 2 2 378.586 3.114 20 0 GGADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248908890 1433829090 /nfs/dbraw/zinc/82/90/90/1433829090.db2.gz VCFOIZCVWMJUNX-MSOLQXFVSA-N 2 2 378.586 3.257 20 0 GGADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248908890 1433829091 /nfs/dbraw/zinc/82/90/91/1433829091.db2.gz VCFOIZCVWMJUNX-MSOLQXFVSA-N 2 2 378.586 3.257 20 0 GGADLP C[C@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000248947979 1433830125 /nfs/dbraw/zinc/83/01/25/1433830125.db2.gz DSDCVGLUNZLJCT-KZNAEPCWSA-N 2 2 390.576 3.061 20 0 GGADLP C[N@@H+]1CCN(CCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000249175287 1433838216 /nfs/dbraw/zinc/83/82/16/1433838216.db2.gz DYFKWFNXTXERBT-PKTZIBPZSA-N 2 2 389.547 3.468 20 0 GGADLP C[N@H+]1CCN(CCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000249175287 1433838217 /nfs/dbraw/zinc/83/82/17/1433838217.db2.gz DYFKWFNXTXERBT-PKTZIBPZSA-N 2 2 389.547 3.468 20 0 GGADLP C[N@@H+]1CCN(CCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000249175290 1433838235 /nfs/dbraw/zinc/83/82/35/1433838235.db2.gz DYFKWFNXTXERBT-XZOQPEGZSA-N 2 2 389.547 3.468 20 0 GGADLP C[N@H+]1CCN(CCC[NH2+][C@@H](c2ncc[nH]2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000249175290 1433838236 /nfs/dbraw/zinc/83/82/36/1433838236.db2.gz DYFKWFNXTXERBT-XZOQPEGZSA-N 2 2 389.547 3.468 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)[C@H](C)C1 ZINC000249275405 1433839933 /nfs/dbraw/zinc/83/99/33/1433839933.db2.gz JVCXMBIQTMKMOW-RKVPGOIHSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2c(F)cccc2F)[C@H](C)C1 ZINC000249275405 1433839934 /nfs/dbraw/zinc/83/99/34/1433839934.db2.gz JVCXMBIQTMKMOW-RKVPGOIHSA-N 2 2 383.483 3.018 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273496 1433840024 /nfs/dbraw/zinc/84/00/24/1433840024.db2.gz JLWKIEGXVYNMBR-JXFKEZNVSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273496 1433840025 /nfs/dbraw/zinc/84/00/25/1433840025.db2.gz JLWKIEGXVYNMBR-JXFKEZNVSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273496 1433840027 /nfs/dbraw/zinc/84/00/27/1433840027.db2.gz JLWKIEGXVYNMBR-JXFKEZNVSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249273496 1433840028 /nfs/dbraw/zinc/84/00/28/1433840028.db2.gz JLWKIEGXVYNMBR-JXFKEZNVSA-N 2 2 379.495 3.120 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249287948 1433840516 /nfs/dbraw/zinc/84/05/16/1433840516.db2.gz LWBWBPRWKMPUJL-JXFKEZNVSA-N 2 2 379.495 3.120 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249287948 1433840517 /nfs/dbraw/zinc/84/05/17/1433840517.db2.gz LWBWBPRWKMPUJL-JXFKEZNVSA-N 2 2 379.495 3.120 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000249377305 1433842008 /nfs/dbraw/zinc/84/20/08/1433842008.db2.gz PYGZYNGNKXMJTL-IFXJQAMLSA-N 2 2 382.932 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)[C@@H](C)C1 ZINC000249377305 1433842010 /nfs/dbraw/zinc/84/20/10/1433842010.db2.gz PYGZYNGNKXMJTL-IFXJQAMLSA-N 2 2 382.932 3.475 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000249395291 1433842497 /nfs/dbraw/zinc/84/24/97/1433842497.db2.gz AUPJYYQJCLAGDD-CLCXKQKWSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000249395291 1433842498 /nfs/dbraw/zinc/84/24/98/1433842498.db2.gz AUPJYYQJCLAGDD-CLCXKQKWSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000249396908 1433842714 /nfs/dbraw/zinc/84/27/14/1433842714.db2.gz BGCCWYWKVMBIKM-FUHWJXTLSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000249396908 1433842716 /nfs/dbraw/zinc/84/27/16/1433842716.db2.gz BGCCWYWKVMBIKM-FUHWJXTLSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C)C1 ZINC000249420351 1433843513 /nfs/dbraw/zinc/84/35/13/1433843513.db2.gz HLANWLZFZTXJSI-UXPWSPDFSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C)C1 ZINC000249420351 1433843514 /nfs/dbraw/zinc/84/35/14/1433843514.db2.gz HLANWLZFZTXJSI-UXPWSPDFSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2nc3c(cccc3F)n2CC)[C@H](C)C1 ZINC000249437064 1433844009 /nfs/dbraw/zinc/84/40/09/1433844009.db2.gz LBSOOTCBTJZXCP-SJLPKXTDSA-N 2 2 376.520 3.422 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2nc3c(cccc3F)n2CC)[C@H](C)C1 ZINC000249437064 1433844010 /nfs/dbraw/zinc/84/40/10/1433844010.db2.gz LBSOOTCBTJZXCP-SJLPKXTDSA-N 2 2 376.520 3.422 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)[C@H](C)C1 ZINC000249448063 1433844147 /nfs/dbraw/zinc/84/41/47/1433844147.db2.gz NSEXBHQOOHCKOE-QUCCMNQESA-N 2 2 375.557 3.223 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)[C@H](C)C1 ZINC000249448063 1433844148 /nfs/dbraw/zinc/84/41/48/1433844148.db2.gz NSEXBHQOOHCKOE-QUCCMNQESA-N 2 2 375.557 3.223 20 0 GGADLP O=C1[C@@H]([N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1Cc1ccc(F)cc1F ZINC000249494847 1433845115 /nfs/dbraw/zinc/84/51/15/1433845115.db2.gz VXQRDBSHWWUPMI-UWJYYQICSA-N 2 2 391.506 3.264 20 0 GGADLP O=C1[C@@H]([N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCCN1Cc1ccc(F)cc1F ZINC000249494847 1433845116 /nfs/dbraw/zinc/84/51/16/1433845116.db2.gz VXQRDBSHWWUPMI-UWJYYQICSA-N 2 2 391.506 3.264 20 0 GGADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000249795647 1433852091 /nfs/dbraw/zinc/85/20/91/1433852091.db2.gz WVLNTBXLBILDOE-AQNXPRMDSA-N 2 2 397.567 3.140 20 0 GGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000249795648 1433852173 /nfs/dbraw/zinc/85/21/73/1433852173.db2.gz WVLNTBXLBILDOE-ZCNNSNEGSA-N 2 2 397.567 3.140 20 0 GGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000249795648 1433852176 /nfs/dbraw/zinc/85/21/76/1433852176.db2.gz WVLNTBXLBILDOE-ZCNNSNEGSA-N 2 2 397.567 3.140 20 0 GGADLP CCO[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000250473219 1433856277 /nfs/dbraw/zinc/85/62/77/1433856277.db2.gz DFQXZJWMUSSLDU-YLJYHZDGSA-N 2 2 393.959 3.094 20 0 GGADLP CCO[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000250473219 1433856279 /nfs/dbraw/zinc/85/62/79/1433856279.db2.gz DFQXZJWMUSSLDU-YLJYHZDGSA-N 2 2 393.959 3.094 20 0 GGADLP COc1cccc([C@H](CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)c1 ZINC000252643984 1433863676 /nfs/dbraw/zinc/86/36/76/1433863676.db2.gz HXRWZOLFNMEKKO-YSZBQJHXSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)[NH+](C)C)c1 ZINC000252643984 1433863677 /nfs/dbraw/zinc/86/36/77/1433863677.db2.gz HXRWZOLFNMEKKO-YSZBQJHXSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)N(C)C)c1 ZINC000252643984 1433863678 /nfs/dbraw/zinc/86/36/78/1433863678.db2.gz HXRWZOLFNMEKKO-YSZBQJHXSA-N 2 2 382.552 3.193 20 0 GGADLP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)N(C)C)c1 ZINC000252643984 1433863681 /nfs/dbraw/zinc/86/36/81/1433863681.db2.gz HXRWZOLFNMEKKO-YSZBQJHXSA-N 2 2 382.552 3.193 20 0 GGADLP O=C(C[NH+]1CCC(OC2CCCCC2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000261378401 1433895478 /nfs/dbraw/zinc/89/54/78/1433895478.db2.gz AAYUXXORLHPXIJ-UHFFFAOYSA-N 2 2 399.579 3.145 20 0 GGADLP C[C@H](CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000261476151 1433896613 /nfs/dbraw/zinc/89/66/13/1433896613.db2.gz XNVSSLZEMPJODB-KDOFPFPSSA-N 2 2 396.938 3.398 20 0 GGADLP C[C@H](CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000261476151 1433896615 /nfs/dbraw/zinc/89/66/15/1433896615.db2.gz XNVSSLZEMPJODB-KDOFPFPSSA-N 2 2 396.938 3.398 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261647805 1433898161 /nfs/dbraw/zinc/89/81/61/1433898161.db2.gz GBUJZCGKUVKSDL-OIISXLGYSA-N 2 2 389.446 3.289 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261647805 1433898162 /nfs/dbraw/zinc/89/81/62/1433898162.db2.gz GBUJZCGKUVKSDL-OIISXLGYSA-N 2 2 389.446 3.289 20 0 GGADLP FC(F)(F)Sc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000261717216 1433899953 /nfs/dbraw/zinc/89/99/53/1433899953.db2.gz KMPLEAGVNPJXFC-UHFFFAOYSA-N 2 2 397.470 3.373 20 0 GGADLP CN(c1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000261904771 1433911461 /nfs/dbraw/zinc/91/14/61/1433911461.db2.gz XBQZFXAZYIQINZ-XZOQPEGZSA-N 3 2 378.564 3.144 20 0 GGADLP CN(c1ccccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CC[NH+](C)CC1 ZINC000261904771 1433911465 /nfs/dbraw/zinc/91/14/65/1433911465.db2.gz XBQZFXAZYIQINZ-XZOQPEGZSA-N 3 2 378.564 3.144 20 0 GGADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)C1C[NH2+]C1 ZINC000262396065 1433937549 /nfs/dbraw/zinc/93/75/49/1433937549.db2.gz OYEHUFMWEHDEEH-OAHLLOKOSA-N 2 2 387.524 3.054 20 0 GGADLP C[NH2+]CCC(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000262393624 1433937642 /nfs/dbraw/zinc/93/76/42/1433937642.db2.gz OLHCRFIRDQPUMG-GOSISDBHSA-N 2 2 389.590 3.295 20 0 GGADLP C[NH2+]CCC(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000262393624 1433937644 /nfs/dbraw/zinc/93/76/44/1433937644.db2.gz OLHCRFIRDQPUMG-GOSISDBHSA-N 2 2 389.590 3.295 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262648907 1433947866 /nfs/dbraw/zinc/94/78/66/1433947866.db2.gz PVGCYGVMESTHME-QTEQDKRBSA-N 2 2 395.547 3.072 20 0 GGADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000262667992 1433948729 /nfs/dbraw/zinc/94/87/29/1433948729.db2.gz QJWKMUUSOQDMNU-MOPGFXCFSA-N 2 2 391.437 3.404 20 0 GGADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000262667992 1433948732 /nfs/dbraw/zinc/94/87/32/1433948732.db2.gz QJWKMUUSOQDMNU-MOPGFXCFSA-N 2 2 391.437 3.404 20 0 GGADLP C[C@]([NH3+])(C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858226 1433961690 /nfs/dbraw/zinc/96/16/90/1433961690.db2.gz KWKGBXLFWAIZLW-AZUAARDMSA-N 2 2 391.437 3.270 20 0 GGADLP C[C@]([NH3+])(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858226 1433961695 /nfs/dbraw/zinc/96/16/95/1433961695.db2.gz KWKGBXLFWAIZLW-AZUAARDMSA-N 2 2 391.437 3.270 20 0 GGADLP C[C@@]([NH3+])(C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858227 1433961848 /nfs/dbraw/zinc/96/18/48/1433961848.db2.gz KWKGBXLFWAIZLW-ICSRJNTNSA-N 2 2 391.437 3.270 20 0 GGADLP C[C@@]([NH3+])(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858227 1433961849 /nfs/dbraw/zinc/96/18/49/1433961849.db2.gz KWKGBXLFWAIZLW-ICSRJNTNSA-N 2 2 391.437 3.270 20 0 GGADLP CC(C)[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262983592 1433973195 /nfs/dbraw/zinc/97/31/95/1433973195.db2.gz NIVVYNUJBBPEOD-PBFPGSCMSA-N 2 2 387.446 3.236 20 0 GGADLP [NH3+]Cc1cc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc(C(F)(F)F)c1 ZINC000263026595 1433978534 /nfs/dbraw/zinc/97/85/34/1433978534.db2.gz UACVKNARUJOEQV-SFHVURJKSA-N 2 2 393.409 3.004 20 0 GGADLP [NH3+]Cc1cc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc(C(F)(F)F)c1 ZINC000263026595 1433978542 /nfs/dbraw/zinc/97/85/42/1433978542.db2.gz UACVKNARUJOEQV-SFHVURJKSA-N 2 2 393.409 3.004 20 0 GGADLP Cc1ccccc1[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000263697225 1434022372 /nfs/dbraw/zinc/02/23/72/1434022372.db2.gz HQZZBCPZZAIEOV-LJQANCHMSA-N 2 2 384.568 3.053 20 0 GGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000263772624 1434031861 /nfs/dbraw/zinc/03/18/61/1434031861.db2.gz TZCVHADBMHWIOX-GASCZTMLSA-N 2 2 376.526 3.119 20 0 GGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)C[C@H](C)O1 ZINC000263772624 1434031863 /nfs/dbraw/zinc/03/18/63/1434031863.db2.gz TZCVHADBMHWIOX-GASCZTMLSA-N 2 2 376.526 3.119 20 0 GGADLP COc1ccc(C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000263856839 1434042340 /nfs/dbraw/zinc/04/23/40/1434042340.db2.gz UGNANRLBFHRACT-GOSISDBHSA-N 2 2 397.519 3.125 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1cccc(OC)c1 ZINC000263926524 1434049401 /nfs/dbraw/zinc/04/94/01/1434049401.db2.gz AMBZXOSRZRJRAO-QUCCMNQESA-N 2 2 399.539 3.390 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000263930656 1434049805 /nfs/dbraw/zinc/04/98/05/1434049805.db2.gz CAFMUKHWPNBAQW-LJQANCHMSA-N 2 2 381.524 3.272 20 0 GGADLP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000263955245 1434053253 /nfs/dbraw/zinc/05/32/53/1434053253.db2.gz NFFDGLVLYXTUNY-LJQANCHMSA-N 2 2 399.539 3.220 20 0 GGADLP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263962463 1434054358 /nfs/dbraw/zinc/05/43/58/1434054358.db2.gz RHXGJVLVIUFMMV-DLBZAZTESA-N 2 2 387.553 3.272 20 0 GGADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263962463 1434054360 /nfs/dbraw/zinc/05/43/60/1434054360.db2.gz RHXGJVLVIUFMMV-DLBZAZTESA-N 2 2 387.553 3.272 20 0 GGADLP CC(C)(CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000263967250 1434054997 /nfs/dbraw/zinc/05/49/97/1434054997.db2.gz UYEZVTGKZONTTP-IBGZPJMESA-N 2 2 381.524 3.136 20 0 GGADLP CC(C)(CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[N@H+]1CCc2ccccc2C1 ZINC000263967250 1434055000 /nfs/dbraw/zinc/05/50/00/1434055000.db2.gz UYEZVTGKZONTTP-IBGZPJMESA-N 2 2 381.524 3.136 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000264129005 1434074169 /nfs/dbraw/zinc/07/41/69/1434074169.db2.gz YAMCRGNUMOKSLS-QZTJIDSGSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@@H](c1cccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000264197562 1434081018 /nfs/dbraw/zinc/08/10/18/1434081018.db2.gz DGPRXXZQFCZKQA-LPHOPBHVSA-N 2 2 386.496 3.097 20 0 GGADLP C[C@H](c1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1)[NH+]1CCOCC1 ZINC000264198916 1434081225 /nfs/dbraw/zinc/08/12/25/1434081225.db2.gz DRCBYGGDJCWVKH-QGZVFWFLSA-N 2 2 388.556 3.464 20 0 GGADLP CCCCOc1cccc(CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000264217626 1434083440 /nfs/dbraw/zinc/08/34/40/1434083440.db2.gz AUFNXFBKMKGMNW-UHFFFAOYSA-N 2 2 390.572 3.033 20 0 GGADLP CCCCOc1cccc(CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000264217626 1434083441 /nfs/dbraw/zinc/08/34/41/1434083441.db2.gz AUFNXFBKMKGMNW-UHFFFAOYSA-N 2 2 390.572 3.033 20 0 GGADLP CC[NH+](CC)[C@H](C(=O)NCc1cccnc1-n1cc[nH+]c1C)c1ccccc1 ZINC000264230857 1434085019 /nfs/dbraw/zinc/08/50/19/1434085019.db2.gz MFFGRXUYOFVIQN-FQEVSTJZSA-N 2 2 377.492 3.275 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c1)[NH+]1CCOCC1 ZINC000264438248 1434112510 /nfs/dbraw/zinc/11/25/10/1434112510.db2.gz DGOACPVGIQYXHA-RXVVDRJESA-N 2 2 386.540 3.172 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccsc1 ZINC000264611288 1434134517 /nfs/dbraw/zinc/13/45/17/1434134517.db2.gz FOLZTTOWTPAUTC-GOSISDBHSA-N 2 2 399.520 3.448 20 0 GGADLP C[C@H](c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000264626882 1434136494 /nfs/dbraw/zinc/13/64/94/1434136494.db2.gz JRJIEWSQEXSIDS-VQIMIIECSA-N 2 2 386.496 3.097 20 0 GGADLP O=C(NCCCCC[NH+]1CCCCC1)NCc1ccccc1Cn1cc[nH+]c1 ZINC000264765637 1434153130 /nfs/dbraw/zinc/15/31/30/1434153130.db2.gz UYVQXHMLDYVKMR-UHFFFAOYSA-N 2 2 383.540 3.387 20 0 GGADLP C[C@@H]1C[N@H+](C(C)(C)CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)O1 ZINC000265115863 1434186609 /nfs/dbraw/zinc/18/66/09/1434186609.db2.gz YXTLEKQLZJGUDS-IYBDPMFKSA-N 2 2 387.524 3.112 20 0 GGADLP C[C@@H]1C[N@@H+](C(C)(C)CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)O1 ZINC000265115863 1434186611 /nfs/dbraw/zinc/18/66/11/1434186611.db2.gz YXTLEKQLZJGUDS-IYBDPMFKSA-N 2 2 387.524 3.112 20 0 GGADLP C[C@H]1C[NH+](C(C)(C)CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H](C)O1 ZINC000265115858 1434186657 /nfs/dbraw/zinc/18/66/57/1434186657.db2.gz YXTLEKQLZJGUDS-HOTGVXAUSA-N 2 2 387.524 3.112 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)cn2c1 ZINC000265747282 1434262325 /nfs/dbraw/zinc/26/23/25/1434262325.db2.gz WGLKKDXVWXZLRW-LJQANCHMSA-N 2 2 386.565 3.353 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265846203 1434272027 /nfs/dbraw/zinc/27/20/27/1434272027.db2.gz TVHSMDIDACCJRG-UHFFFAOYSA-N 2 2 395.547 3.289 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccccc1C[NH+]1CCOCC1 ZINC000265846203 1434272032 /nfs/dbraw/zinc/27/20/32/1434272032.db2.gz TVHSMDIDACCJRG-UHFFFAOYSA-N 2 2 395.547 3.289 20 0 GGADLP CC1(C)CC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC(C)(C)[NH2+]1 ZINC000265903043 1434280450 /nfs/dbraw/zinc/28/04/50/1434280450.db2.gz HWGBZOKRWUOREQ-UHFFFAOYSA-N 2 2 385.512 3.393 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000265925084 1434283951 /nfs/dbraw/zinc/28/39/51/1434283951.db2.gz LAHBTPUXDBAPEX-UHFFFAOYSA-N 2 2 397.523 3.444 20 0 GGADLP O=C(NCCC[NH2+]C1CCCCC1)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000265956531 1434288517 /nfs/dbraw/zinc/28/85/17/1434288517.db2.gz QFTRPXSWRMRMTB-UHFFFAOYSA-N 2 2 385.512 3.396 20 0 GGADLP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000266128043 1434305574 /nfs/dbraw/zinc/30/55/74/1434305574.db2.gz ZPCSHQXKMQFROJ-UHFFFAOYSA-N 2 2 399.535 3.030 20 0 GGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCCC[NH+]1CCOCC1 ZINC000266128043 1434305576 /nfs/dbraw/zinc/30/55/76/1434305576.db2.gz ZPCSHQXKMQFROJ-UHFFFAOYSA-N 2 2 399.535 3.030 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1)[NH+]1CCOCC1 ZINC000266434747 1434336267 /nfs/dbraw/zinc/33/62/67/1434336267.db2.gz NNCUGMIFBRRSHL-RXVVDRJESA-N 2 2 388.556 3.418 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1)[NH+]1CCOCC1 ZINC000266434747 1434336268 /nfs/dbraw/zinc/33/62/68/1434336268.db2.gz NNCUGMIFBRRSHL-RXVVDRJESA-N 2 2 388.556 3.418 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1)[NH+]1CCOCC1 ZINC000266434745 1434336337 /nfs/dbraw/zinc/33/63/37/1434336337.db2.gz NNCUGMIFBRRSHL-GHTZIAJQSA-N 2 2 388.556 3.418 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1)[NH+]1CCOCC1 ZINC000266434745 1434336339 /nfs/dbraw/zinc/33/63/39/1434336339.db2.gz NNCUGMIFBRRSHL-GHTZIAJQSA-N 2 2 388.556 3.418 20 0 GGADLP C[N@@H+](CC(=O)N1CCc2sccc2C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266529359 1434346737 /nfs/dbraw/zinc/34/67/37/1434346737.db2.gz FHYBWSIPHBEDAA-LJQANCHMSA-N 2 2 383.561 3.087 20 0 GGADLP C[N@H+](CC(=O)N1CCc2sccc2C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266529359 1434346738 /nfs/dbraw/zinc/34/67/38/1434346738.db2.gz FHYBWSIPHBEDAA-LJQANCHMSA-N 2 2 383.561 3.087 20 0 GGADLP C[NH+](CC(=O)N1CCc2sccc2C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266529359 1434346740 /nfs/dbraw/zinc/34/67/40/1434346740.db2.gz FHYBWSIPHBEDAA-LJQANCHMSA-N 2 2 383.561 3.087 20 0 GGADLP C[NH+](CC(=O)N1CCc2sccc2C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266529359 1434346742 /nfs/dbraw/zinc/34/67/42/1434346742.db2.gz FHYBWSIPHBEDAA-LJQANCHMSA-N 2 2 383.561 3.087 20 0 GGADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 ZINC000266673404 1434362107 /nfs/dbraw/zinc/36/21/07/1434362107.db2.gz ZEAHZQBYCHLARE-QGZVFWFLSA-N 2 2 383.536 3.269 20 0 GGADLP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000266797829 1434376547 /nfs/dbraw/zinc/37/65/47/1434376547.db2.gz CHOGZQATRRMGDB-UHFFFAOYSA-N 2 2 395.547 3.289 20 0 GGADLP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccccc2C[NH+]2CCOCC2)c1 ZINC000266797829 1434376550 /nfs/dbraw/zinc/37/65/50/1434376550.db2.gz CHOGZQATRRMGDB-UHFFFAOYSA-N 2 2 395.547 3.289 20 0 GGADLP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266947038 1434391466 /nfs/dbraw/zinc/39/14/66/1434391466.db2.gz FNHDQFDBLNLPSQ-UHFFFAOYSA-N 2 2 399.564 3.413 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266969512 1434393960 /nfs/dbraw/zinc/39/39/60/1434393960.db2.gz ZIPUEANCSPILJP-SFHVURJKSA-N 2 2 392.507 3.420 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266969512 1434393963 /nfs/dbraw/zinc/39/39/63/1434393963.db2.gz ZIPUEANCSPILJP-SFHVURJKSA-N 2 2 392.507 3.420 20 0 GGADLP CSc1cccc(NC(=O)[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC000266992307 1434396948 /nfs/dbraw/zinc/39/69/48/1434396948.db2.gz ABNVORKDOFPXSP-MRXNPFEDSA-N 2 2 379.570 3.215 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000267193584 1434413404 /nfs/dbraw/zinc/41/34/04/1434413404.db2.gz HXAIBTJLYHRGEY-GIVPXCGWSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000267193584 1434413406 /nfs/dbraw/zinc/41/34/06/1434413406.db2.gz HXAIBTJLYHRGEY-GIVPXCGWSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000267193584 1434413408 /nfs/dbraw/zinc/41/34/08/1434413408.db2.gz HXAIBTJLYHRGEY-GIVPXCGWSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000267193584 1434413410 /nfs/dbraw/zinc/41/34/10/1434413410.db2.gz HXAIBTJLYHRGEY-GIVPXCGWSA-N 2 2 395.551 3.008 20 0 GGADLP CC[N@@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000267361152 1434425777 /nfs/dbraw/zinc/42/57/77/1434425777.db2.gz IIEPQMHCAZGULE-UHFFFAOYSA-N 2 2 376.508 3.401 20 0 GGADLP CC[N@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000267361152 1434425779 /nfs/dbraw/zinc/42/57/79/1434425779.db2.gz IIEPQMHCAZGULE-UHFFFAOYSA-N 2 2 376.508 3.401 20 0 GGADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000267441885 1434433665 /nfs/dbraw/zinc/43/36/65/1434433665.db2.gz JXTYDRMPQQNNRO-RBUKOAKNSA-N 2 2 388.556 3.275 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000267441885 1434433666 /nfs/dbraw/zinc/43/36/66/1434433666.db2.gz JXTYDRMPQQNNRO-RBUKOAKNSA-N 2 2 388.556 3.275 20 0 GGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000267480506 1434438754 /nfs/dbraw/zinc/43/87/54/1434438754.db2.gz BYXPKLTYSGQYOF-NRSPTQNISA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000267480506 1434438756 /nfs/dbraw/zinc/43/87/56/1434438756.db2.gz BYXPKLTYSGQYOF-NRSPTQNISA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000267480506 1434438759 /nfs/dbraw/zinc/43/87/59/1434438759.db2.gz BYXPKLTYSGQYOF-NRSPTQNISA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000267480506 1434438762 /nfs/dbraw/zinc/43/87/62/1434438762.db2.gz BYXPKLTYSGQYOF-NRSPTQNISA-N 2 2 395.551 3.150 20 0 GGADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000268034470 1434489374 /nfs/dbraw/zinc/48/93/74/1434489374.db2.gz NIQCMFLVEMJWLN-UHFFFAOYSA-N 2 2 375.513 3.297 20 0 GGADLP C[NH+](C)Cc1ccsc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000268034470 1434489377 /nfs/dbraw/zinc/48/93/77/1434489377.db2.gz NIQCMFLVEMJWLN-UHFFFAOYSA-N 2 2 375.513 3.297 20 0 GGADLP COc1ccc(C[N@@H+]2CCCN(C(=O)c3sccc3C[NH+](C)C)CC2)cc1 ZINC000268057390 1434491759 /nfs/dbraw/zinc/49/17/59/1434491759.db2.gz YUJIDXCAJGNGEZ-UHFFFAOYSA-N 2 2 387.549 3.166 20 0 GGADLP COc1ccc(C[N@H+]2CCCN(C(=O)c3sccc3C[NH+](C)C)CC2)cc1 ZINC000268057390 1434491761 /nfs/dbraw/zinc/49/17/61/1434491761.db2.gz YUJIDXCAJGNGEZ-UHFFFAOYSA-N 2 2 387.549 3.166 20 0 GGADLP COc1ccc([C@H](CNC(=O)c2sccc2C[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000268103863 1434495006 /nfs/dbraw/zinc/49/50/06/1434495006.db2.gz LGUFVIVENQIDFQ-IBGZPJMESA-N 2 2 387.549 3.385 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000268211728 1434502202 /nfs/dbraw/zinc/50/22/02/1434502202.db2.gz NMWVNTZYTYSGFB-RTBURBONSA-N 2 2 388.556 3.179 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000268211728 1434502203 /nfs/dbraw/zinc/50/22/03/1434502203.db2.gz NMWVNTZYTYSGFB-RTBURBONSA-N 2 2 388.556 3.179 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268529178 1434530233 /nfs/dbraw/zinc/53/02/33/1434530233.db2.gz HXIXQYLJRGENSP-YLJYHZDGSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268529178 1434530236 /nfs/dbraw/zinc/53/02/36/1434530236.db2.gz HXIXQYLJRGENSP-YLJYHZDGSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(N2CCOCC2)c1 ZINC000268746027 1434552554 /nfs/dbraw/zinc/55/25/54/1434552554.db2.gz ATFFERSPDODBLF-FQEVSTJZSA-N 2 2 395.547 3.206 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)cn1 ZINC000268775472 1434556027 /nfs/dbraw/zinc/55/60/27/1434556027.db2.gz GTLAZGIYJXBLGG-QGZVFWFLSA-N 2 2 377.492 3.263 20 0 GGADLP CCNC(=O)c1cccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000268789411 1434557647 /nfs/dbraw/zinc/55/76/47/1434557647.db2.gz BFHNLSQVHKOQCO-UHFFFAOYSA-N 2 2 383.511 3.372 20 0 GGADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268793524 1434558053 /nfs/dbraw/zinc/55/80/53/1434558053.db2.gz YXUOQIQVBRBFRO-OAHLLOKOSA-N 2 2 383.883 3.487 20 0 GGADLP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000268804109 1434558869 /nfs/dbraw/zinc/55/88/69/1434558869.db2.gz IIVSQFYTQRKMOI-HNNXBMFYSA-N 2 2 386.565 3.252 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1F ZINC000268809783 1434559612 /nfs/dbraw/zinc/55/96/12/1434559612.db2.gz KJTWQJNBKGQJBR-MRXNPFEDSA-N 2 2 385.483 3.073 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000268859377 1434565321 /nfs/dbraw/zinc/56/53/21/1434565321.db2.gz YIHXAJVLCSATDH-XUZZJYLKSA-N 3 2 387.612 3.420 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000268859377 1434565324 /nfs/dbraw/zinc/56/53/24/1434565324.db2.gz YIHXAJVLCSATDH-XUZZJYLKSA-N 3 2 387.612 3.420 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268899296 1434569142 /nfs/dbraw/zinc/56/91/42/1434569142.db2.gz KSJMVZGNESFJRB-AEFFLSMTSA-N 2 2 384.549 3.117 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268899296 1434569143 /nfs/dbraw/zinc/56/91/43/1434569143.db2.gz KSJMVZGNESFJRB-AEFFLSMTSA-N 2 2 384.549 3.117 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)c1cccc(OC)c1 ZINC000268955742 1434575123 /nfs/dbraw/zinc/57/51/23/1434575123.db2.gz GFCAMBZZGAZPRM-FQEVSTJZSA-N 2 2 387.528 3.006 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)c1cccc(OC)c1 ZINC000268955744 1434575250 /nfs/dbraw/zinc/57/52/50/1434575250.db2.gz GFCAMBZZGAZPRM-HXUWFJFHSA-N 2 2 387.528 3.006 20 0 GGADLP Cc1[nH+]ccn1CCCNc1ncc(Cl)c(NCCCn2cc[nH+]c2C)n1 ZINC000269047584 1434585444 /nfs/dbraw/zinc/58/54/44/1434585444.db2.gz PAMXOJOEONQPGM-UHFFFAOYSA-N 2 2 388.907 3.144 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH+]c2)CC1 ZINC000269112810 1434593709 /nfs/dbraw/zinc/59/37/09/1434593709.db2.gz COWLFXYENCZTHY-INIZCTEOSA-N 2 2 389.544 3.033 20 0 GGADLP Cn1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)c(-c2ccncc2)n1 ZINC000269163380 1434599643 /nfs/dbraw/zinc/59/96/43/1434599643.db2.gz VXMJTFQBXLNRDR-UHFFFAOYSA-N 2 2 391.523 3.020 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3cnn(-c4ccccc4)c3)[nH+]c2)CC1 ZINC000269166697 1434600485 /nfs/dbraw/zinc/60/04/85/1434600485.db2.gz WYWSRYPLBBKMHP-UHFFFAOYSA-N 2 2 376.508 3.410 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CCCn1cc[nH+]c1 ZINC000269193699 1434605474 /nfs/dbraw/zinc/60/54/74/1434605474.db2.gz RXKSWWSMECYSDF-UHFFFAOYSA-N 2 2 380.496 3.036 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1 ZINC000269193699 1434605476 /nfs/dbraw/zinc/60/54/76/1434605476.db2.gz RXKSWWSMECYSDF-UHFFFAOYSA-N 2 2 380.496 3.036 20 0 GGADLP Cc1[nH+]ccn1CCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000269196772 1434605567 /nfs/dbraw/zinc/60/55/67/1434605567.db2.gz GRCRQHDLZQXUID-PMACEKPBSA-N 2 2 378.480 3.006 20 0 GGADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000269288842 1434618533 /nfs/dbraw/zinc/61/85/33/1434618533.db2.gz UGMIEMQVUFGACN-NCYKPQTJSA-N 2 2 379.508 3.038 20 0 GGADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000269288842 1434618534 /nfs/dbraw/zinc/61/85/34/1434618534.db2.gz UGMIEMQVUFGACN-NCYKPQTJSA-N 2 2 379.508 3.038 20 0 GGADLP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)c3ccccc3C(F)(F)F)CC2)CC1 ZINC000269404500 1434639619 /nfs/dbraw/zinc/63/96/19/1434639619.db2.gz ZTNFOEUFJSLOCZ-HXUWFJFHSA-N 2 2 399.501 3.229 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269506140 1434654818 /nfs/dbraw/zinc/65/48/18/1434654818.db2.gz MZPVDYNVFPLCJI-IRLDBZIGSA-N 2 2 393.535 3.090 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269506140 1434654820 /nfs/dbraw/zinc/65/48/20/1434654820.db2.gz MZPVDYNVFPLCJI-IRLDBZIGSA-N 2 2 393.535 3.090 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000269518525 1434655785 /nfs/dbraw/zinc/65/57/85/1434655785.db2.gz YGLNXFYDVYTVGW-UHFFFAOYSA-N 2 2 380.492 3.075 20 0 GGADLP CC(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000270027181 1434694418 /nfs/dbraw/zinc/69/44/18/1434694418.db2.gz GFOFNBYQLYAPCW-FGZHOGPDSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000270027181 1434694420 /nfs/dbraw/zinc/69/44/20/1434694420.db2.gz GFOFNBYQLYAPCW-FGZHOGPDSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000270027180 1434694524 /nfs/dbraw/zinc/69/45/24/1434694524.db2.gz GFOFNBYQLYAPCW-FCHUYYIVSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000270027180 1434694526 /nfs/dbraw/zinc/69/45/26/1434694526.db2.gz GFOFNBYQLYAPCW-FCHUYYIVSA-N 2 2 385.552 3.298 20 0 GGADLP CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270056353 1434697364 /nfs/dbraw/zinc/69/73/64/1434697364.db2.gz OUCSUUXTGBDSCO-RTBURBONSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccc(Cl)cn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270056353 1434697372 /nfs/dbraw/zinc/69/73/72/1434697372.db2.gz OUCSUUXTGBDSCO-RTBURBONSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccncc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270062789 1434698451 /nfs/dbraw/zinc/69/84/51/1434698451.db2.gz QWBYTYYKQNALRG-RTBURBONSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccncc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270062789 1434698453 /nfs/dbraw/zinc/69/84/53/1434698453.db2.gz QWBYTYYKQNALRG-RTBURBONSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270216398 1434713825 /nfs/dbraw/zinc/71/38/25/1434713825.db2.gz GWHAXKNQNWTVSS-KRWDZBQOSA-N 2 2 379.508 3.407 20 0 GGADLP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270216398 1434713827 /nfs/dbraw/zinc/71/38/27/1434713827.db2.gz GWHAXKNQNWTVSS-KRWDZBQOSA-N 2 2 379.508 3.407 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000270240559 1434715986 /nfs/dbraw/zinc/71/59/86/1434715986.db2.gz OZBNDPLTIWIGPD-GOSISDBHSA-N 2 2 386.565 3.066 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000270240561 1434716013 /nfs/dbraw/zinc/71/60/13/1434716013.db2.gz OZBNDPLTIWIGPD-SFHVURJKSA-N 2 2 386.565 3.066 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3Cc4ccccc4C(C)(C)C3)CC2)CC1 ZINC000270377412 1434727994 /nfs/dbraw/zinc/72/79/94/1434727994.db2.gz XHPGKGDSGLZLTJ-UHFFFAOYSA-N 2 2 384.568 3.048 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270613650 1434751211 /nfs/dbraw/zinc/75/12/11/1434751211.db2.gz YVKXUKYKXWWQLL-XUWXXGDYSA-N 2 2 393.894 3.056 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270613650 1434751212 /nfs/dbraw/zinc/75/12/12/1434751212.db2.gz YVKXUKYKXWWQLL-XUWXXGDYSA-N 2 2 393.894 3.056 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1C ZINC000270942911 1434789871 /nfs/dbraw/zinc/78/98/71/1434789871.db2.gz RSNYKFDRKMPBSM-HXUWFJFHSA-N 2 2 386.584 3.121 20 0 GGADLP Cc1ccn2ncc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271018110 1434795913 /nfs/dbraw/zinc/79/59/13/1434795913.db2.gz IOMUZNQVGUAMBR-LEWJYISDSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1ccn2ncc(C(=O)N(C)[C@@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271018110 1434795914 /nfs/dbraw/zinc/79/59/14/1434795914.db2.gz IOMUZNQVGUAMBR-LEWJYISDSA-N 2 2 397.567 3.052 20 0 GGADLP COc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(OC(F)F)c1 ZINC000271211304 1434808359 /nfs/dbraw/zinc/80/83/59/1434808359.db2.gz LUINMBBPFLEOBH-UHFFFAOYSA-N 2 2 397.510 3.287 20 0 GGADLP Cc1c([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)nnn1-c1ccc(C)cc1 ZINC000271456252 1434826251 /nfs/dbraw/zinc/82/62/51/1434826251.db2.gz GTMBKMNJTMZTRX-KRWDZBQOSA-N 2 2 394.523 3.070 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csc(COc2ccccc2)n1 ZINC000271699117 1434844818 /nfs/dbraw/zinc/84/48/18/1434844818.db2.gz NDBFRYPBVFBUNN-UHFFFAOYSA-N 2 2 388.581 3.180 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csc(COc2ccccc2)n1 ZINC000271699117 1434844819 /nfs/dbraw/zinc/84/48/19/1434844819.db2.gz NDBFRYPBVFBUNN-UHFFFAOYSA-N 2 2 388.581 3.180 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000271700891 1434845040 /nfs/dbraw/zinc/84/50/40/1434845040.db2.gz NOKKUVVTLYIDFC-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000271700891 1434845041 /nfs/dbraw/zinc/84/50/41/1434845041.db2.gz NOKKUVVTLYIDFC-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP CC[NH+](CC)Cc1ccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)cc1 ZINC000271713438 1434845775 /nfs/dbraw/zinc/84/57/75/1434845775.db2.gz BORYWQCWLNKUSE-UHFFFAOYSA-N 3 2 375.557 3.036 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000271806335 1434851896 /nfs/dbraw/zinc/85/18/96/1434851896.db2.gz MJAINHCIGROPLA-QUCCMNQESA-N 2 2 398.906 3.316 20 0 GGADLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)c1 ZINC000271830809 1434853219 /nfs/dbraw/zinc/85/32/19/1434853219.db2.gz QYTOWVFBDWORDH-QGZVFWFLSA-N 2 2 389.540 3.178 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2csc(-c3ccccc3)n2)CC1 ZINC000271841951 1434854194 /nfs/dbraw/zinc/85/41/94/1434854194.db2.gz TZAGKVRMFMYGHK-UHFFFAOYSA-N 2 2 387.549 3.360 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000271855534 1434854974 /nfs/dbraw/zinc/85/49/74/1434854974.db2.gz XLEARODLJGQDQN-INIZCTEOSA-N 2 2 387.524 3.103 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCOc2cccc3cccnc32)CC1 ZINC000271862350 1434855643 /nfs/dbraw/zinc/85/56/43/1434855643.db2.gz ZBZCXQKFNFBLEN-UHFFFAOYSA-N 2 2 385.508 3.011 20 0 GGADLP C[C@@H](c1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1)[NH+]1CCOCC1 ZINC000271876565 1434856562 /nfs/dbraw/zinc/85/65/62/1434856562.db2.gz XYMRPWFMNAOHKJ-RBUKOAKNSA-N 2 2 386.540 3.029 20 0 GGADLP CC[NH+]1CCC([NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000271893751 1434857620 /nfs/dbraw/zinc/85/76/20/1434857620.db2.gz OYOPYFHXLRQQFA-SFHVURJKSA-N 2 2 383.458 3.270 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000271913274 1434858959 /nfs/dbraw/zinc/85/89/59/1434858959.db2.gz IZOVQWRJPGSIAX-UHFFFAOYSA-N 2 2 393.413 3.204 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000271984713 1434863691 /nfs/dbraw/zinc/86/36/91/1434863691.db2.gz CGYCHWJTXQFMML-UHFFFAOYSA-N 2 2 390.915 3.093 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000271984713 1434863692 /nfs/dbraw/zinc/86/36/92/1434863692.db2.gz CGYCHWJTXQFMML-UHFFFAOYSA-N 2 2 390.915 3.093 20 0 GGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000272152798 1434875157 /nfs/dbraw/zinc/87/51/57/1434875157.db2.gz AQIAOYIPLZEPAP-GCJKJVERSA-N 2 2 395.551 3.232 20 0 GGADLP Cc1cc2ncc([C@@H](C)Nc3ccc(N4CC[C@@H]([NH+](C)C)C4)c[nH+]3)c(C)n2n1 ZINC000272259575 1434882150 /nfs/dbraw/zinc/88/21/50/1434882150.db2.gz LPUWMEBQUIZHKR-CRAIPNDOSA-N 2 2 379.512 3.055 20 0 GGADLP C[C@@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCOC2=O)c1 ZINC000272288753 1434884569 /nfs/dbraw/zinc/88/45/69/1434884569.db2.gz PSGIGFZIYDLZEV-UZLBHIALSA-N 2 2 395.507 3.352 20 0 GGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCOC2=O)c1 ZINC000272288749 1434884599 /nfs/dbraw/zinc/88/45/99/1434884599.db2.gz PSGIGFZIYDLZEV-OXQOHEQNSA-N 2 2 395.507 3.352 20 0 GGADLP C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272453612 1434897324 /nfs/dbraw/zinc/89/73/24/1434897324.db2.gz GLQCOINIFZTARI-ICSRJNTNSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272453612 1434897326 /nfs/dbraw/zinc/89/73/26/1434897326.db2.gz GLQCOINIFZTARI-ICSRJNTNSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272453619 1434897402 /nfs/dbraw/zinc/89/74/02/1434897402.db2.gz GLQCOINIFZTARI-QUCCMNQESA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272453619 1434897403 /nfs/dbraw/zinc/89/74/03/1434897403.db2.gz GLQCOINIFZTARI-QUCCMNQESA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCC2(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000272506735 1434901822 /nfs/dbraw/zinc/90/18/22/1434901822.db2.gz JKPPSAYUFAEYIU-HDICACEKSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCC2(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000272506735 1434901823 /nfs/dbraw/zinc/90/18/23/1434901823.db2.gz JKPPSAYUFAEYIU-HDICACEKSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272534833 1434905129 /nfs/dbraw/zinc/90/51/29/1434905129.db2.gz PEEROMKNPGRGKM-KRXUUXHPSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272534833 1434905136 /nfs/dbraw/zinc/90/51/36/1434905136.db2.gz PEEROMKNPGRGKM-KRXUUXHPSA-N 2 2 395.551 3.386 20 0 GGADLP C[NH+]1CCC(C)(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000272716678 1434925591 /nfs/dbraw/zinc/92/55/91/1434925591.db2.gz YXBQLWDMGVKBPH-UHFFFAOYSA-N 2 2 379.508 3.455 20 0 GGADLP O=C1CCCN1Cc1ccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272742281 1434927356 /nfs/dbraw/zinc/92/73/56/1434927356.db2.gz RCIRVCMAFUSCJY-UHFFFAOYSA-N 2 2 383.458 3.315 20 0 GGADLP NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000272927399 1434941664 /nfs/dbraw/zinc/94/16/64/1434941664.db2.gz ADVAVWSLVIXNAM-IBGZPJMESA-N 2 2 397.485 3.489 20 0 GGADLP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000272963305 1434944783 /nfs/dbraw/zinc/94/47/83/1434944783.db2.gz XOOGLTJPXKPCPH-UHFFFAOYSA-N 2 2 393.959 3.117 20 0 GGADLP C[C@@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1=CC[NH+](C)CC1 ZINC000273007535 1434949114 /nfs/dbraw/zinc/94/91/14/1434949114.db2.gz UOPAUOYSDSFNKZ-LSDHHAIUSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1=CC[NH+](C)CC1 ZINC000273007535 1434949115 /nfs/dbraw/zinc/94/91/15/1434949115.db2.gz UOPAUOYSDSFNKZ-LSDHHAIUSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1)C1=CC[N@H+](C)CC1 ZINC000273007535 1434949116 /nfs/dbraw/zinc/94/91/16/1434949116.db2.gz UOPAUOYSDSFNKZ-LSDHHAIUSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@@H](NC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1)C1=CC[N@@H+](C)CC1 ZINC000273007535 1434949117 /nfs/dbraw/zinc/94/91/17/1434949117.db2.gz UOPAUOYSDSFNKZ-LSDHHAIUSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C1=CC[NH+](C)CC1 ZINC000273007532 1434949137 /nfs/dbraw/zinc/94/91/37/1434949137.db2.gz UOPAUOYSDSFNKZ-GJZGRUSLSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C1=CC[NH+](C)CC1 ZINC000273007532 1434949141 /nfs/dbraw/zinc/94/91/41/1434949141.db2.gz UOPAUOYSDSFNKZ-GJZGRUSLSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1)C1=CC[N@H+](C)CC1 ZINC000273007532 1434949144 /nfs/dbraw/zinc/94/91/44/1434949144.db2.gz UOPAUOYSDSFNKZ-GJZGRUSLSA-N 2 2 377.558 3.147 20 0 GGADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCC[C@H](C)C2)cs1)C1=CC[N@@H+](C)CC1 ZINC000273007532 1434949147 /nfs/dbraw/zinc/94/91/47/1434949147.db2.gz UOPAUOYSDSFNKZ-GJZGRUSLSA-N 2 2 377.558 3.147 20 0 GGADLP Cc1ccncc1/C=C/C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000273045689 1434954629 /nfs/dbraw/zinc/95/46/29/1434954629.db2.gz PXLHJTLZCMGBHT-BBDDESMNSA-N 2 2 384.568 3.199 20 0 GGADLP Cc1ccncc1/C=C/C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000273045689 1434954631 /nfs/dbraw/zinc/95/46/31/1434954631.db2.gz PXLHJTLZCMGBHT-BBDDESMNSA-N 2 2 384.568 3.199 20 0 GGADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000273199328 1434971707 /nfs/dbraw/zinc/97/17/07/1434971707.db2.gz RBLVXVQDNZBCLR-KRWDZBQOSA-N 2 2 379.460 3.334 20 0 GGADLP Cc1cccc([C@H]2CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)c1 ZINC000273218224 1434973241 /nfs/dbraw/zinc/97/32/41/1434973241.db2.gz UTJLJYKNPZATNE-FQEVSTJZSA-N 2 2 384.568 3.053 20 0 GGADLP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000273380683 1434984814 /nfs/dbraw/zinc/98/48/14/1434984814.db2.gz IAYWGWONAGWUOD-KRWDZBQOSA-N 2 2 385.512 3.156 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000273444720 1434989221 /nfs/dbraw/zinc/98/92/21/1434989221.db2.gz ZPDYNULYJHABMZ-GOSISDBHSA-N 2 2 383.517 3.192 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000273444721 1434989263 /nfs/dbraw/zinc/98/92/63/1434989263.db2.gz ZPDYNULYJHABMZ-SFHVURJKSA-N 2 2 383.517 3.192 20 0 GGADLP CS[C@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@@H]1[NH+](C)C ZINC000273906070 1435027364 /nfs/dbraw/zinc/02/73/64/1435027364.db2.gz SWIWFUSLTQRUJJ-OALUTQOASA-N 2 2 397.548 3.111 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000273987648 1435034736 /nfs/dbraw/zinc/03/47/36/1435034736.db2.gz JIRJBMVXFXSHSV-JOCHJYFZSA-N 2 2 384.568 3.482 20 0 GGADLP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000274655275 1435083453 /nfs/dbraw/zinc/08/34/53/1435083453.db2.gz MESIZLWIJXJNOO-QGZVFWFLSA-N 2 2 388.471 3.096 20 0 GGADLP CN1c2ccc(CNc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)cc2CCC1=O ZINC000274722654 1435087870 /nfs/dbraw/zinc/08/78/70/1435087870.db2.gz BLTDPWDUBYIHBH-UHFFFAOYSA-N 2 2 393.535 3.133 20 0 GGADLP Cc1c(-c2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)on2)cnn1C ZINC000274788719 1435092637 /nfs/dbraw/zinc/09/26/37/1435092637.db2.gz BLKSSCXTCJFALL-KKSFZXQISA-N 2 2 379.508 3.384 20 0 GGADLP Cc1c(-c2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)on2)cnn1C ZINC000274788719 1435092638 /nfs/dbraw/zinc/09/26/38/1435092638.db2.gz BLKSSCXTCJFALL-KKSFZXQISA-N 2 2 379.508 3.384 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274803496 1435093932 /nfs/dbraw/zinc/09/39/32/1435093932.db2.gz GABSXOMDVNBTNB-FXAWDEMLSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274803496 1435093935 /nfs/dbraw/zinc/09/39/35/1435093935.db2.gz GABSXOMDVNBTNB-FXAWDEMLSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274803497 1435094022 /nfs/dbraw/zinc/09/40/22/1435094022.db2.gz GABSXOMDVNBTNB-PXNSSMCTSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274803497 1435094024 /nfs/dbraw/zinc/09/40/24/1435094024.db2.gz GABSXOMDVNBTNB-PXNSSMCTSA-N 2 2 397.519 3.143 20 0 GGADLP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274812878 1435094766 /nfs/dbraw/zinc/09/47/66/1435094766.db2.gz IDGUHEUUYBNBQR-HBFSDRIKSA-N 2 2 383.540 3.291 20 0 GGADLP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274812878 1435094769 /nfs/dbraw/zinc/09/47/69/1435094769.db2.gz IDGUHEUUYBNBQR-HBFSDRIKSA-N 2 2 383.540 3.291 20 0 GGADLP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274812869 1435094895 /nfs/dbraw/zinc/09/48/95/1435094895.db2.gz IDGUHEUUYBNBQR-BJLQDIEVSA-N 2 2 383.540 3.291 20 0 GGADLP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274812869 1435094897 /nfs/dbraw/zinc/09/48/97/1435094897.db2.gz IDGUHEUUYBNBQR-BJLQDIEVSA-N 2 2 383.540 3.291 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000274838616 1435096935 /nfs/dbraw/zinc/09/69/35/1435096935.db2.gz NZUALEOAHORQDJ-YLJYHZDGSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000274838616 1435096937 /nfs/dbraw/zinc/09/69/37/1435096937.db2.gz NZUALEOAHORQDJ-YLJYHZDGSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000274838612 1435096977 /nfs/dbraw/zinc/09/69/77/1435096977.db2.gz NZUALEOAHORQDJ-PXNSSMCTSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(OC)c1 ZINC000274838612 1435096978 /nfs/dbraw/zinc/09/69/78/1435096978.db2.gz NZUALEOAHORQDJ-PXNSSMCTSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000274838614 1435097072 /nfs/dbraw/zinc/09/70/72/1435097072.db2.gz NZUALEOAHORQDJ-XLIONFOSSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(OC)c1 ZINC000274838614 1435097073 /nfs/dbraw/zinc/09/70/73/1435097073.db2.gz NZUALEOAHORQDJ-XLIONFOSSA-N 2 2 397.519 3.143 20 0 GGADLP Cc1csc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc(=O)n12 ZINC000274852223 1435097801 /nfs/dbraw/zinc/09/78/01/1435097801.db2.gz RJMNLVIRCQTQDL-BEFAXECRSA-N 2 2 382.533 3.065 20 0 GGADLP Cc1csc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc(=O)n12 ZINC000274852223 1435097804 /nfs/dbraw/zinc/09/78/04/1435097804.db2.gz RJMNLVIRCQTQDL-BEFAXECRSA-N 2 2 382.533 3.065 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)nc12 ZINC000274861640 1435098658 /nfs/dbraw/zinc/09/86/58/1435098658.db2.gz UKFVOSXHWOABJD-RXVVDRJESA-N 2 2 376.504 3.003 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)nc12 ZINC000274861640 1435098660 /nfs/dbraw/zinc/09/86/60/1435098660.db2.gz UKFVOSXHWOABJD-RXVVDRJESA-N 2 2 376.504 3.003 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000274873478 1435100019 /nfs/dbraw/zinc/10/00/19/1435100019.db2.gz XWFMXFDQWFCCEV-OXJNMPFZSA-N 2 2 396.922 3.348 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000274873478 1435100021 /nfs/dbraw/zinc/10/00/21/1435100021.db2.gz XWFMXFDQWFCCEV-OXJNMPFZSA-N 2 2 396.922 3.348 20 0 GGADLP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C1)CCCC2 ZINC000275493590 1435143443 /nfs/dbraw/zinc/14/34/43/1435143443.db2.gz ZURULPURKMVFCL-HXUWFJFHSA-N 2 2 389.503 3.402 20 0 GGADLP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000275534350 1435146380 /nfs/dbraw/zinc/14/63/80/1435146380.db2.gz MERSJHAFNFQZMC-SFTDATJTSA-N 2 2 386.515 3.169 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccn(-c4ccccc4F)n3)CC2)CC1 ZINC000275614894 1435153066 /nfs/dbraw/zinc/15/30/66/1435153066.db2.gz NRWRRCMHZRXVGJ-UHFFFAOYSA-N 2 2 385.531 3.002 20 0 GGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](c3ncc[nH]3)c3ccc(F)cc3)[nH+]c2)C1 ZINC000275943417 1435181526 /nfs/dbraw/zinc/18/15/26/1435181526.db2.gz ZJIMNCGXOJWOSP-QUCCMNQESA-N 2 2 380.471 3.286 20 0 GGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)CC(F)(F)F ZINC000276179897 1435195936 /nfs/dbraw/zinc/19/59/36/1435195936.db2.gz GPVBKUVBOOLKNF-QGZVFWFLSA-N 2 2 385.430 3.487 20 0 GGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)CC(F)(F)F ZINC000276179897 1435195938 /nfs/dbraw/zinc/19/59/38/1435195938.db2.gz GPVBKUVBOOLKNF-QGZVFWFLSA-N 2 2 385.430 3.487 20 0 GGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)C[C@@H](O)CC(F)(F)F)cc1 ZINC000276187430 1435196500 /nfs/dbraw/zinc/19/65/00/1435196500.db2.gz HUFNDGRWOVSCPY-KRWDZBQOSA-N 2 2 385.430 3.487 20 0 GGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)C[C@@H](O)CC(F)(F)F)cc1 ZINC000276187430 1435196501 /nfs/dbraw/zinc/19/65/01/1435196501.db2.gz HUFNDGRWOVSCPY-KRWDZBQOSA-N 2 2 385.430 3.487 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cnn1C(C)(C)C ZINC000276310305 1435203944 /nfs/dbraw/zinc/20/39/44/1435203944.db2.gz FEBTYKNPBZBMJQ-UCNVEGJOSA-N 2 2 384.568 3.480 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cnn1C(C)(C)C ZINC000276310305 1435203946 /nfs/dbraw/zinc/20/39/46/1435203946.db2.gz FEBTYKNPBZBMJQ-UCNVEGJOSA-N 2 2 384.568 3.480 20 0 GGADLP COc1ccccc1-c1noc([C@@H](C)[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1 ZINC000276729589 1435228632 /nfs/dbraw/zinc/22/86/32/1435228632.db2.gz HDQUIIBXYOCGQJ-OAHLLOKOSA-N 2 2 379.464 3.460 20 0 GGADLP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1OC ZINC000276732391 1435228652 /nfs/dbraw/zinc/22/86/52/1435228652.db2.gz DXVGSGWDQCLQES-UHFFFAOYSA-N 2 2 389.544 3.052 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277014680 1435252151 /nfs/dbraw/zinc/25/21/51/1435252151.db2.gz LXLKRMDVLFLQQB-FQEVSTJZSA-N 2 2 383.540 3.142 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277014680 1435252153 /nfs/dbraw/zinc/25/21/53/1435252153.db2.gz LXLKRMDVLFLQQB-FQEVSTJZSA-N 2 2 383.540 3.142 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000277065851 1435258306 /nfs/dbraw/zinc/25/83/06/1435258306.db2.gz DKAREVXPZOWODZ-UHFFFAOYSA-N 2 2 377.554 3.330 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCS(=O)(=O)c1cccc(C)c1 ZINC000277065851 1435258309 /nfs/dbraw/zinc/25/83/09/1435258309.db2.gz DKAREVXPZOWODZ-UHFFFAOYSA-N 2 2 377.554 3.330 20 0 GGADLP C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000277279547 1435288647 /nfs/dbraw/zinc/28/86/47/1435288647.db2.gz SNFMSWIFSVPMIO-MRXNPFEDSA-N 2 2 390.553 3.116 20 0 GGADLP CC(C)n1ncc2cc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)c(Cl)nc21 ZINC000277699386 1435322903 /nfs/dbraw/zinc/32/29/03/1435322903.db2.gz HZWGKIFEOFISQI-HNNXBMFYSA-N 2 2 379.936 3.256 20 0 GGADLP CC(C)n1ncc2cc(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)c(Cl)nc21 ZINC000277699386 1435322905 /nfs/dbraw/zinc/32/29/05/1435322905.db2.gz HZWGKIFEOFISQI-HNNXBMFYSA-N 2 2 379.936 3.256 20 0 GGADLP C[C@@H](c1cccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)c1)[NH+]1CCOCC1 ZINC000277722762 1435324594 /nfs/dbraw/zinc/32/45/94/1435324594.db2.gz NDTUQVKUKWNGJV-KRWDZBQOSA-N 2 2 386.540 3.076 20 0 GGADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000278287251 1435376511 /nfs/dbraw/zinc/37/65/11/1435376511.db2.gz ZNFZJQWPMTYHLK-IBGZPJMESA-N 2 2 398.507 3.373 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 ZINC000278506627 1435395735 /nfs/dbraw/zinc/39/57/35/1435395735.db2.gz AXJKVULDPDDENV-UHFFFAOYSA-N 2 2 384.867 3.095 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000278571631 1435401248 /nfs/dbraw/zinc/40/12/48/1435401248.db2.gz JFXYXRSSMWCIGM-KRWDZBQOSA-N 2 2 381.476 3.154 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000278581004 1435402194 /nfs/dbraw/zinc/40/21/94/1435402194.db2.gz YEOMTQHXYPTSFV-RDJZCZTQSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000278581004 1435402195 /nfs/dbraw/zinc/40/21/95/1435402195.db2.gz YEOMTQHXYPTSFV-RDJZCZTQSA-N 2 2 375.513 3.027 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000278595794 1435403366 /nfs/dbraw/zinc/40/33/66/1435403366.db2.gz LMDVWGBQSFSFFU-MRXNPFEDSA-N 2 2 385.533 3.268 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000278609599 1435405291 /nfs/dbraw/zinc/40/52/91/1435405291.db2.gz MMBZAXKXEDQIRX-YLJYHZDGSA-N 2 2 395.503 3.262 20 0 GGADLP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278741663 1435418987 /nfs/dbraw/zinc/41/89/87/1435418987.db2.gz AEVDPSNXONJJEV-INIZCTEOSA-N 2 2 384.499 3.243 20 0 GGADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000278760227 1435420913 /nfs/dbraw/zinc/42/09/13/1435420913.db2.gz SYDXSHNVYXLLML-YADHBBJMSA-N 2 2 393.535 3.285 20 0 GGADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000278760210 1435420953 /nfs/dbraw/zinc/42/09/53/1435420953.db2.gz SYDXSHNVYXLLML-FCHUYYIVSA-N 2 2 393.535 3.285 20 0 GGADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)N1CCc2sccc2C1 ZINC000278776916 1435422623 /nfs/dbraw/zinc/42/26/23/1435422623.db2.gz CTXGSDZVNZOKOL-UHFFFAOYSA-N 2 2 384.549 3.045 20 0 GGADLP COc1ccc(CN(C)C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278786110 1435423442 /nfs/dbraw/zinc/42/34/42/1435423442.db2.gz DQPCKFBSORPBNF-UHFFFAOYSA-N 2 2 396.535 3.066 20 0 GGADLP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278798454 1435424657 /nfs/dbraw/zinc/42/46/57/1435424657.db2.gz FNRHCIGUXXZVGP-QGZVFWFLSA-N 2 2 396.535 3.285 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278910418 1435438457 /nfs/dbraw/zinc/43/84/57/1435438457.db2.gz QLYJRLYMNQYKQD-AWEZNQCLSA-N 2 2 387.915 3.474 20 0 GGADLP O=C(C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccnn1C1CCCC1 ZINC000278955094 1435444848 /nfs/dbraw/zinc/44/48/48/1435444848.db2.gz WDSSHBHNRVZMNG-UHFFFAOYSA-N 2 2 396.539 3.349 20 0 GGADLP COCCn1c(C)cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000278959914 1435445671 /nfs/dbraw/zinc/44/56/71/1435445671.db2.gz WQWJMTTUFLTNRR-UHFFFAOYSA-N 2 2 398.551 3.346 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000279255914 1435477972 /nfs/dbraw/zinc/47/79/72/1435477972.db2.gz PZRPTAAICZBJJB-SFHVURJKSA-N 2 2 385.512 3.004 20 0 GGADLP Cc1[nH+]c[nH]c1CC(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279426838 1435498138 /nfs/dbraw/zinc/49/81/38/1435498138.db2.gz LYRYLNFKMGMQDS-QGZVFWFLSA-N 2 2 394.441 3.174 20 0 GGADLP Cc1[nH+]c[nH]c1CC(=O)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279426838 1435498140 /nfs/dbraw/zinc/49/81/40/1435498140.db2.gz LYRYLNFKMGMQDS-QGZVFWFLSA-N 2 2 394.441 3.174 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279449331 1435500569 /nfs/dbraw/zinc/50/05/69/1435500569.db2.gz KNJYGUGABYPMKL-UHFFFAOYSA-N 2 2 384.528 3.094 20 0 GGADLP O=C(CCc1[nH]cc[nH+]1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279486066 1435504701 /nfs/dbraw/zinc/50/47/01/1435504701.db2.gz RDLJXJUNEHBVQE-QGZVFWFLSA-N 2 2 394.441 3.255 20 0 GGADLP O=C(CCc1[nH]cc[nH+]1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279486066 1435504704 /nfs/dbraw/zinc/50/47/04/1435504704.db2.gz RDLJXJUNEHBVQE-QGZVFWFLSA-N 2 2 394.441 3.255 20 0 GGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279536018 1435510512 /nfs/dbraw/zinc/51/05/12/1435510512.db2.gz WKLHMLLQWQEELP-UHFFFAOYSA-N 2 2 394.441 3.484 20 0 GGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000279536018 1435510517 /nfs/dbraw/zinc/51/05/17/1435510517.db2.gz WKLHMLLQWQEELP-UHFFFAOYSA-N 2 2 394.441 3.484 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000279709161 1435533366 /nfs/dbraw/zinc/53/33/66/1435533366.db2.gz AGNKPVAUNLDWAG-OAHLLOKOSA-N 2 2 376.451 3.100 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000279949248 1435568079 /nfs/dbraw/zinc/56/80/79/1435568079.db2.gz OWYYGWFCMHJFFU-UHFFFAOYSA-N 2 2 376.451 3.146 20 0 GGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(Cl)cc3-n3cncn3)[nH+]c2)C1 ZINC000280396975 1435653069 /nfs/dbraw/zinc/65/30/69/1435653069.db2.gz VJOCTJSDVQGUFI-GOSISDBHSA-N 2 2 397.914 3.068 20 0 GGADLP Cc1onc(-c2ccccc2C)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000280488622 1435668639 /nfs/dbraw/zinc/66/86/39/1435668639.db2.gz JWMXBUYJNXCICC-UHFFFAOYSA-N 2 2 384.524 3.056 20 0 GGADLP Cc1onc(-c2ccccc2C)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000280488622 1435668645 /nfs/dbraw/zinc/66/86/45/1435668645.db2.gz JWMXBUYJNXCICC-UHFFFAOYSA-N 2 2 384.524 3.056 20 0 GGADLP COC(=O)[C@@H](Cc1ccc(C)cc1)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000280916889 1435741686 /nfs/dbraw/zinc/74/16/86/1435741686.db2.gz HYAZPYFEKNIHAR-OAQYLSRUSA-N 2 2 399.535 3.186 20 0 GGADLP CSc1ccc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000281329811 1435804192 /nfs/dbraw/zinc/80/41/92/1435804192.db2.gz KTRXBLLSVRNWDB-MRXNPFEDSA-N 2 2 378.586 3.137 20 0 GGADLP CSc1ccc([C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000281329811 1435804193 /nfs/dbraw/zinc/80/41/93/1435804193.db2.gz KTRXBLLSVRNWDB-MRXNPFEDSA-N 2 2 378.586 3.137 20 0 GGADLP Cn1cc([C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)cn1 ZINC000281972166 1435829189 /nfs/dbraw/zinc/82/91/89/1435829189.db2.gz NYYZRFJFYIWUCK-HSZRJFAPSA-N 2 2 376.504 3.132 20 0 GGADLP Cn1cc(-c2ccc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)s2)cn1 ZINC000282135141 1435835973 /nfs/dbraw/zinc/83/59/73/1435835973.db2.gz AIZXCEDPDHBKOS-UHFFFAOYSA-N 2 2 382.533 3.271 20 0 GGADLP Cc1nn(-c2ccccn2)c(C)c1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000282687739 1435856480 /nfs/dbraw/zinc/85/64/80/1435856480.db2.gz OZEAKNIXMAKTKZ-IBGZPJMESA-N 2 2 391.523 3.032 20 0 GGADLP CC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164676400 719566242 /nfs/dbraw/zinc/56/62/42/719566242.db2.gz FEICQJOHGANNJV-HXUWFJFHSA-N 2 2 392.507 3.424 20 0 GGADLP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCc3onc(Cn4cc[nH+]c4)c3C2)nc1 ZINC001164676400 719566249 /nfs/dbraw/zinc/56/62/49/719566249.db2.gz FEICQJOHGANNJV-HXUWFJFHSA-N 2 2 392.507 3.424 20 0 GGADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)CC2 ZINC001164686805 719736727 /nfs/dbraw/zinc/73/67/27/719736727.db2.gz ULNNTFRRJCWITO-UHFFFAOYSA-N 2 2 385.556 3.014 20 0 GGADLP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(C3CCCCC3)[nH+]c(C)n1)CC2 ZINC001164686805 719736734 /nfs/dbraw/zinc/73/67/34/719736734.db2.gz ULNNTFRRJCWITO-UHFFFAOYSA-N 2 2 385.556 3.014 20 0 GGADLP Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(N4CCCC4)cc[nH+]2)CC3)cs1 ZINC001164692233 719802717 /nfs/dbraw/zinc/80/27/17/719802717.db2.gz LVKQGARDKGCGSQ-UHFFFAOYSA-N 2 2 398.580 3.477 20 0 GGADLP Cc1nc(C[N@H+]2CCCC23CCN(c2nc(N4CCCC4)cc[nH+]2)CC3)cs1 ZINC001164692233 719802718 /nfs/dbraw/zinc/80/27/18/719802718.db2.gz LVKQGARDKGCGSQ-UHFFFAOYSA-N 2 2 398.580 3.477 20 0 GGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001164812614 720196035 /nfs/dbraw/zinc/19/60/35/720196035.db2.gz LKRAIKAQVMIOLY-SBUREZEXSA-N 2 2 380.536 3.236 20 0 GGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001164812614 720196041 /nfs/dbraw/zinc/19/60/41/720196041.db2.gz LKRAIKAQVMIOLY-SBUREZEXSA-N 2 2 380.536 3.236 20 0 GGADLP Cc1cc2ccccc2c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)[nH+]1 ZINC001164813315 720231255 /nfs/dbraw/zinc/23/12/55/720231255.db2.gz MRNMHOPFAIRYSR-UHFFFAOYSA-N 2 2 391.519 3.350 20 0 GGADLP Cc1cc2ccccc2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)[nH+]1 ZINC001164813315 720231263 /nfs/dbraw/zinc/23/12/63/720231263.db2.gz MRNMHOPFAIRYSR-UHFFFAOYSA-N 2 2 391.519 3.350 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2[nH+]ccc3ccccc32)CC1 ZINC001164821369 720298333 /nfs/dbraw/zinc/29/83/33/720298333.db2.gz KIMXLNMWBMEROJ-SFTDATJTSA-N 2 2 378.520 3.146 20 0 GGADLP CCSc1cc[nH+]c(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164824985 720350025 /nfs/dbraw/zinc/35/00/25/720350025.db2.gz IIUSSDWXEPPHLX-RBUKOAKNSA-N 2 2 388.581 3.105 20 0 GGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164839123 720549877 /nfs/dbraw/zinc/54/98/77/720549877.db2.gz POTNQUQHRHZTEJ-CEXWTWQISA-N 2 2 393.539 3.149 20 0 GGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164839123 720549886 /nfs/dbraw/zinc/54/98/86/720549886.db2.gz POTNQUQHRHZTEJ-CEXWTWQISA-N 2 2 393.539 3.149 20 0 GGADLP CCCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001164834628 720571280 /nfs/dbraw/zinc/57/12/80/720571280.db2.gz FHVFVVQLYMCIIY-HMXCVIKNSA-N 2 2 382.556 3.312 20 0 GGADLP CCCc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001164834628 720571286 /nfs/dbraw/zinc/57/12/86/720571286.db2.gz FHVFVVQLYMCIIY-HMXCVIKNSA-N 2 2 382.556 3.312 20 0 GGADLP c1ncn(C[C@H]2C[C@H]3CN(c4[nH+]ccc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748921 720814660 /nfs/dbraw/zinc/81/46/60/720814660.db2.gz RVCJPFUFOWYBKT-TUNNFDKTSA-N 2 2 388.519 3.206 20 0 GGADLP c1ncn(C[C@H]2C[C@H]3CN(c4[nH+]ccc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748921 720814661 /nfs/dbraw/zinc/81/46/61/720814661.db2.gz RVCJPFUFOWYBKT-TUNNFDKTSA-N 2 2 388.519 3.206 20 0 GGADLP CC(C)(C)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1 ZINC001164749789 720860681 /nfs/dbraw/zinc/86/06/81/720860681.db2.gz OGJSNOJHLXRUFL-HLAWJBBLSA-N 2 2 394.567 3.350 20 0 GGADLP CC(C)(C)c1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1 ZINC001164749789 720860685 /nfs/dbraw/zinc/86/06/85/720860685.db2.gz OGJSNOJHLXRUFL-HLAWJBBLSA-N 2 2 394.567 3.350 20 0 GGADLP Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC001164858424 720928900 /nfs/dbraw/zinc/92/89/00/720928900.db2.gz NJDBLGWLRBSQIY-INIZCTEOSA-N 2 2 383.544 3.003 20 0 GGADLP Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC001164858424 720928907 /nfs/dbraw/zinc/92/89/07/720928907.db2.gz NJDBLGWLRBSQIY-INIZCTEOSA-N 2 2 383.544 3.003 20 0 GGADLP Cc1nc(N2CCCC2)cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]1 ZINC001164858424 720928916 /nfs/dbraw/zinc/92/89/16/720928916.db2.gz NJDBLGWLRBSQIY-INIZCTEOSA-N 2 2 383.544 3.003 20 0 GGADLP Cc1nc(N2CCCC2)cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]1 ZINC001164858424 720928928 /nfs/dbraw/zinc/92/89/28/720928928.db2.gz NJDBLGWLRBSQIY-INIZCTEOSA-N 2 2 383.544 3.003 20 0 GGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164857731 720957975 /nfs/dbraw/zinc/95/79/75/720957975.db2.gz GZPRXCJMEMGOPK-MRXNPFEDSA-N 2 2 385.512 3.103 20 0 GGADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164857731 720957980 /nfs/dbraw/zinc/95/79/80/720957980.db2.gz GZPRXCJMEMGOPK-MRXNPFEDSA-N 2 2 385.512 3.103 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCCCC3)[nH+]cn1)[C@@H]2C ZINC001164859705 721002240 /nfs/dbraw/zinc/00/22/40/721002240.db2.gz LPHBWTHRGMCTAX-QGZVFWFLSA-N 2 2 383.544 3.085 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCCCC3)[nH+]cn1)[C@@H]2C ZINC001164859705 721002248 /nfs/dbraw/zinc/00/22/48/721002248.db2.gz LPHBWTHRGMCTAX-QGZVFWFLSA-N 2 2 383.544 3.085 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)[C@@H]2C ZINC001164859473 721012205 /nfs/dbraw/zinc/01/22/05/721012205.db2.gz IJYYISSNNYTSJP-ZWKOTPCHSA-N 2 2 397.571 3.331 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)[C@@H]2C ZINC001164859473 721012212 /nfs/dbraw/zinc/01/22/12/721012212.db2.gz IJYYISSNNYTSJP-ZWKOTPCHSA-N 2 2 397.571 3.331 20 0 GGADLP COc1ccc2[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc(C)c2c1 ZINC001164765113 721135211 /nfs/dbraw/zinc/13/52/11/721135211.db2.gz IZOOKIKTKKSDLU-RBUKOAKNSA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc(C)c2c1 ZINC001164765113 721135216 /nfs/dbraw/zinc/13/52/16/721135216.db2.gz IZOOKIKTKKSDLU-RBUKOAKNSA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc(C)c2c1 ZINC001164765121 721135283 /nfs/dbraw/zinc/13/52/83/721135283.db2.gz IZOOKIKTKKSDLU-RTBURBONSA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)cc(C)c2c1 ZINC001164765121 721135287 /nfs/dbraw/zinc/13/52/87/721135287.db2.gz IZOOKIKTKKSDLU-RTBURBONSA-N 2 2 391.519 3.244 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c2cc1F ZINC001164783903 721436183 /nfs/dbraw/zinc/43/61/83/721436183.db2.gz JWTGOSFFVNHIFA-HUUCEWRRSA-N 2 2 384.480 3.407 20 0 GGADLP Cc1cccc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164898690 721442928 /nfs/dbraw/zinc/44/29/28/721442928.db2.gz WMAGQCBZJJEZOD-URXFXBBRSA-N 2 2 394.563 3.309 20 0 GGADLP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc(F)c1C)CC2 ZINC001164789333 721461813 /nfs/dbraw/zinc/46/18/13/721461813.db2.gz WZPBVRHLLKKXCN-LJQANCHMSA-N 2 2 391.531 3.263 20 0 GGADLP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]ccc(F)c1C)CC2 ZINC001164789333 721461814 /nfs/dbraw/zinc/46/18/14/721461814.db2.gz WZPBVRHLLKKXCN-LJQANCHMSA-N 2 2 391.531 3.263 20 0 GGADLP Cc1c[nH]c2nc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c12 ZINC001164902620 721583564 /nfs/dbraw/zinc/58/35/64/721583564.db2.gz GZRRSQVRXWCBQU-FQEVSTJZSA-N 2 2 398.461 3.399 20 0 GGADLP Cc1c[nH]c2nc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c12 ZINC001164902620 721583567 /nfs/dbraw/zinc/58/35/67/721583567.db2.gz GZRRSQVRXWCBQU-FQEVSTJZSA-N 2 2 398.461 3.399 20 0 GGADLP CCc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C)[nH+]1 ZINC001164908067 721713733 /nfs/dbraw/zinc/71/37/33/721713733.db2.gz UYSZTOHMEGNPEN-HXUWFJFHSA-N 2 2 387.478 3.480 20 0 GGADLP CCc1cc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C)[nH+]1 ZINC001164908067 721713737 /nfs/dbraw/zinc/71/37/37/721713737.db2.gz UYSZTOHMEGNPEN-HXUWFJFHSA-N 2 2 387.478 3.480 20 0 GGADLP CCc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(C)[nH+]1 ZINC001164912796 721725617 /nfs/dbraw/zinc/72/56/17/721725617.db2.gz QFYDLOYBBPSISE-HXUWFJFHSA-N 2 2 387.478 3.480 20 0 GGADLP CCc1nc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(C)[nH+]1 ZINC001164912796 721725622 /nfs/dbraw/zinc/72/56/22/721725622.db2.gz QFYDLOYBBPSISE-HXUWFJFHSA-N 2 2 387.478 3.480 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc[nH+]1 ZINC001165027144 721818656 /nfs/dbraw/zinc/81/86/56/721818656.db2.gz SNQINJMXXVGAPF-CEWLAPEOSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc[nH+]1 ZINC001165027144 721818657 /nfs/dbraw/zinc/81/86/57/721818657.db2.gz SNQINJMXXVGAPF-CEWLAPEOSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]cn1 ZINC001165027144 721818658 /nfs/dbraw/zinc/81/86/58/721818658.db2.gz SNQINJMXXVGAPF-CEWLAPEOSA-N 2 2 394.567 3.455 20 0 GGADLP CCN(CC)c1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]cn1 ZINC001165027144 721818660 /nfs/dbraw/zinc/81/86/60/721818660.db2.gz SNQINJMXXVGAPF-CEWLAPEOSA-N 2 2 394.567 3.455 20 0 GGADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]cnc3[nH]c(C)cc32)CC1 ZINC001165021282 721839952 /nfs/dbraw/zinc/83/99/52/721839952.db2.gz KROOMBHDIUKMFZ-UHFFFAOYSA-N 2 2 395.507 3.384 20 0 GGADLP CCc1nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)cc(C)[nH+]1 ZINC001165023034 721843801 /nfs/dbraw/zinc/84/38/01/721843801.db2.gz WJSBUIFFEYBEFR-UHFFFAOYSA-N 2 2 384.524 3.465 20 0 GGADLP Cc1c[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1NC1CC1 ZINC001164953265 722011896 /nfs/dbraw/zinc/01/18/96/722011896.db2.gz DDDVCYUNILOLCN-UHFFFAOYSA-N 2 2 378.524 3.247 20 0 GGADLP Cc1c[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1NC1CC1 ZINC001164953265 722011900 /nfs/dbraw/zinc/01/19/00/722011900.db2.gz DDDVCYUNILOLCN-UHFFFAOYSA-N 2 2 378.524 3.247 20 0 GGADLP Cc1c[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1N1CCCC1 ZINC001164955813 722012301 /nfs/dbraw/zinc/01/23/01/722012301.db2.gz ZRNRUEHADROOQH-UHFFFAOYSA-N 2 2 392.551 3.273 20 0 GGADLP Cc1c[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1N1CCCC1 ZINC001164955813 722012302 /nfs/dbraw/zinc/01/23/02/722012302.db2.gz ZRNRUEHADROOQH-UHFFFAOYSA-N 2 2 392.551 3.273 20 0 GGADLP COc1cc2cc[nH+]c(N3CC[NH+](CCc4ccccn4)CC3)c2cc1OC ZINC001165055122 722013786 /nfs/dbraw/zinc/01/37/86/722013786.db2.gz DUVNPQCWXFCGII-UHFFFAOYSA-N 2 2 378.476 3.012 20 0 GGADLP CCCc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C)[nH+]1 ZINC001164963467 722057576 /nfs/dbraw/zinc/05/75/76/722057576.db2.gz YZMCJVGNJKKISP-UHFFFAOYSA-N 2 2 395.551 3.252 20 0 GGADLP CCCc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(C)[nH+]1 ZINC001164963467 722057578 /nfs/dbraw/zinc/05/75/78/722057578.db2.gz YZMCJVGNJKKISP-UHFFFAOYSA-N 2 2 395.551 3.252 20 0 GGADLP Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001164984083 722102587 /nfs/dbraw/zinc/10/25/87/722102587.db2.gz RRNODTOCSLTWIV-CTNGQTDRSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)cc(C(C)C)[nH+]1 ZINC001164984083 722102588 /nfs/dbraw/zinc/10/25/88/722102588.db2.gz RRNODTOCSLTWIV-CTNGQTDRSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001164983383 722139547 /nfs/dbraw/zinc/13/95/47/722139547.db2.gz UUGFCRLFLPGLAI-VQTJNVASSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)C)[nH+]1 ZINC001164983383 722139549 /nfs/dbraw/zinc/13/95/49/722139549.db2.gz UUGFCRLFLPGLAI-VQTJNVASSA-N 2 2 381.524 3.031 20 0 GGADLP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824414119 946698267 /nfs/dbraw/zinc/69/82/67/946698267.db2.gz UPVWPSNIEYARNN-INIZCTEOSA-N 2 2 380.496 3.035 20 0 GGADLP C[C@@H](Cc1ccsc1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824464639 946718146 /nfs/dbraw/zinc/71/81/46/946718146.db2.gz ISZNJOOJRVJASA-HNNXBMFYSA-N 2 2 382.537 3.113 20 0 GGADLP CCC1(CC)[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C[C@@H]1OC ZINC000825170800 947107842 /nfs/dbraw/zinc/10/78/42/947107842.db2.gz HVHWDJMYPYOAIU-PMACEKPBSA-N 2 2 398.555 3.014 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826187779 947574901 /nfs/dbraw/zinc/57/49/01/947574901.db2.gz FDSASSLIDOKFBD-INIZCTEOSA-N 2 2 392.507 3.191 20 0 GGADLP Cc1cc(C)cc(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826264376 947764701 /nfs/dbraw/zinc/76/47/01/947764701.db2.gz MBISXOKHVHTIFT-UHFFFAOYSA-N 2 2 390.535 3.280 20 0 GGADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000826513317 948436477 /nfs/dbraw/zinc/43/64/77/948436477.db2.gz IDFBZOVYBVPKOK-UHFFFAOYSA-N 2 2 392.551 3.245 20 0 GGADLP c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826523837 948459787 /nfs/dbraw/zinc/45/97/87/948459787.db2.gz ZITGZWUWXUIQQS-QFIPXVFZSA-N 2 2 388.519 3.498 20 0 GGADLP O[C@@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000604765286 1126099301 /nfs/dbraw/zinc/09/93/01/1126099301.db2.gz FFHVPIISDAIVKA-MOPGFXCFSA-N 2 2 375.394 3.496 20 0 GGADLP O[C@H]([C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000604765288 1126099478 /nfs/dbraw/zinc/09/94/78/1126099478.db2.gz FFHVPIISDAIVKA-RBUKOAKNSA-N 2 2 375.394 3.496 20 0 GGADLP O=C(c1ccc(Cl)cc1)N1CC[NH+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000040423330 205066060 /nfs/dbraw/zinc/06/60/60/205066060.db2.gz JWVAMUPSPZLZSM-UHFFFAOYSA-N 2 2 380.879 3.484 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000225674196 206065351 /nfs/dbraw/zinc/06/53/51/206065351.db2.gz BZVYFZORPKWYLS-GOSISDBHSA-N 2 2 379.504 3.207 20 0 GGADLP Cc1c[nH+]ccc1OC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000225674164 206065662 /nfs/dbraw/zinc/06/56/62/206065662.db2.gz BZVYFZORPKWYLS-SFHVURJKSA-N 2 2 379.504 3.207 20 0 GGADLP CC1(C(=O)NC2CCN(c3cccc[nH+]3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000170594475 136198709 /nfs/dbraw/zinc/19/87/09/136198709.db2.gz ODLXDADLPLQEPW-UHFFFAOYSA-N 2 2 392.547 3.469 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414792709 565961580 /nfs/dbraw/zinc/96/15/80/565961580.db2.gz SULSDDCJYXTXDW-UHFFFAOYSA-N 2 2 378.108 3.062 20 0 GGADLP CC[NH+]1CCN([C@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)C2)CC1 ZINC000116261822 564206591 /nfs/dbraw/zinc/20/65/91/564206591.db2.gz WHRMTWLUBMSGPR-INIZCTEOSA-N 2 2 389.341 3.214 20 0 GGADLP CCN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4cc(Br)ccc43)C2)CC1 ZINC000116261822 564206596 /nfs/dbraw/zinc/20/65/96/564206596.db2.gz WHRMTWLUBMSGPR-INIZCTEOSA-N 2 2 389.341 3.214 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000118842106 564246927 /nfs/dbraw/zinc/24/69/27/564246927.db2.gz YJSAWYBLXFSVOS-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000118842106 564246934 /nfs/dbraw/zinc/24/69/34/564246934.db2.gz YJSAWYBLXFSVOS-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000118842106 564246938 /nfs/dbraw/zinc/24/69/38/564246938.db2.gz YJSAWYBLXFSVOS-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000118842106 564246942 /nfs/dbraw/zinc/24/69/42/564246942.db2.gz YJSAWYBLXFSVOS-HUUCEWRRSA-N 2 2 382.346 3.358 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[NH+](Cc2cccs2)Cc2cccs2)CC1 ZINC000016396790 564294347 /nfs/dbraw/zinc/29/43/47/564294347.db2.gz CSXPPQXTHRNKHT-UHFFFAOYSA-N 2 2 377.579 3.412 20 0 GGADLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2Br)CC1 ZINC000123222898 564442409 /nfs/dbraw/zinc/44/24/09/564442409.db2.gz GHONFJRKNVNYKY-UHFFFAOYSA-N 2 2 382.346 3.441 20 0 GGADLP O[C@H](C[NH2+]Cc1cc(Br)ccc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000042227833 564444336 /nfs/dbraw/zinc/44/43/36/564444336.db2.gz KTLQJYWKKURNTB-GOSISDBHSA-N 2 2 393.300 3.097 20 0 GGADLP O[C@H](C[NH2+]Cc1cc(Br)ccc1F)C[N@H+]1CCc2ccccc2C1 ZINC000042227833 564444341 /nfs/dbraw/zinc/44/43/41/564444341.db2.gz KTLQJYWKKURNTB-GOSISDBHSA-N 2 2 393.300 3.097 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000124303867 564477695 /nfs/dbraw/zinc/47/76/95/564477695.db2.gz GXHFZHLMJVFTCU-AWEZNQCLSA-N 2 2 379.302 3.303 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000124303867 564477700 /nfs/dbraw/zinc/47/77/00/564477700.db2.gz GXHFZHLMJVFTCU-AWEZNQCLSA-N 2 2 379.302 3.303 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccccc2Br)o1 ZINC000124443915 564482697 /nfs/dbraw/zinc/48/26/97/564482697.db2.gz IQIIATZSGAZQLX-UHFFFAOYSA-N 2 2 376.258 3.218 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nnc(-c2ccccc2Br)o1 ZINC000124443915 564482701 /nfs/dbraw/zinc/48/27/01/564482701.db2.gz IQIIATZSGAZQLX-UHFFFAOYSA-N 2 2 376.258 3.218 20 0 GGADLP C[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000050276768 564557397 /nfs/dbraw/zinc/55/73/97/564557397.db2.gz KUHLPCPEFWPBFV-OAHLLOKOSA-N 2 2 375.563 3.073 20 0 GGADLP C[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000050276768 564557401 /nfs/dbraw/zinc/55/74/01/564557401.db2.gz KUHLPCPEFWPBFV-OAHLLOKOSA-N 2 2 375.563 3.073 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000050802163 564561140 /nfs/dbraw/zinc/56/11/40/564561140.db2.gz WEUDNQOTNNQGLZ-UHFFFAOYSA-N 2 2 384.351 3.211 20 0 GGADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)s1 ZINC000051760932 564567001 /nfs/dbraw/zinc/56/70/01/564567001.db2.gz XLGAXZYXLVKKSQ-ZDUSSCGKSA-N 2 2 384.977 3.320 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000052213588 564570494 /nfs/dbraw/zinc/57/04/94/564570494.db2.gz RLOPGGFQRNZGMV-GOSISDBHSA-N 2 2 394.357 3.187 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000052213588 564570497 /nfs/dbraw/zinc/57/04/97/564570497.db2.gz RLOPGGFQRNZGMV-GOSISDBHSA-N 2 2 394.357 3.187 20 0 GGADLP Cc1ccc(Br)c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000129863590 564662987 /nfs/dbraw/zinc/66/29/87/564662987.db2.gz OTMUICXEXJVXHK-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Cc1ccc(Br)c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000129863590 564662989 /nfs/dbraw/zinc/66/29/89/564662989.db2.gz OTMUICXEXJVXHK-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000130324289 564676860 /nfs/dbraw/zinc/67/68/60/564676860.db2.gz DZRHPSRQWDRDNU-IAGOWNOFSA-N 2 2 377.941 3.354 20 0 GGADLP CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000130324289 564676863 /nfs/dbraw/zinc/67/68/63/564676863.db2.gz DZRHPSRQWDRDNU-IAGOWNOFSA-N 2 2 377.941 3.354 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000130359921 564678388 /nfs/dbraw/zinc/67/83/88/564678388.db2.gz PAKRWZBXNIGGEG-UHFFFAOYSA-N 2 2 376.258 3.218 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000130359921 564678395 /nfs/dbraw/zinc/67/83/95/564678395.db2.gz PAKRWZBXNIGGEG-UHFFFAOYSA-N 2 2 376.258 3.218 20 0 GGADLP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1)[NH+]1CCSCC1 ZINC000130659868 564689307 /nfs/dbraw/zinc/68/93/07/564689307.db2.gz LNVNQNJYRYEQNY-DLBZAZTESA-N 2 2 381.611 3.075 20 0 GGADLP C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000131115191 564701408 /nfs/dbraw/zinc/70/14/08/564701408.db2.gz SKPRZEMTQMVMDY-MAUKXSAKSA-N 2 2 381.973 3.030 20 0 GGADLP C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000131115018 564701653 /nfs/dbraw/zinc/70/16/53/564701653.db2.gz SKPRZEMTQMVMDY-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131225535 564705056 /nfs/dbraw/zinc/70/50/56/564705056.db2.gz AOULZSZLODITGE-QZTJIDSGSA-N 2 2 394.357 3.314 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131225535 564705060 /nfs/dbraw/zinc/70/50/60/564705060.db2.gz AOULZSZLODITGE-QZTJIDSGSA-N 2 2 394.357 3.314 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131285211 564707503 /nfs/dbraw/zinc/70/75/03/564707503.db2.gz UUZHQWSBKLTVJW-AWEZNQCLSA-N 2 2 380.945 3.048 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000131285211 564707507 /nfs/dbraw/zinc/70/75/07/564707507.db2.gz UUZHQWSBKLTVJW-AWEZNQCLSA-N 2 2 380.945 3.048 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131285387 564707675 /nfs/dbraw/zinc/70/76/75/564707675.db2.gz UUZHQWSBKLTVJW-CQSZACIVSA-N 2 2 380.945 3.048 20 0 GGADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131285387 564707679 /nfs/dbraw/zinc/70/76/79/564707679.db2.gz UUZHQWSBKLTVJW-CQSZACIVSA-N 2 2 380.945 3.048 20 0 GGADLP C[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1cccc(Cl)c1 ZINC000061778995 564708833 /nfs/dbraw/zinc/70/88/33/564708833.db2.gz FXZKPPSCDOTSPP-UHFFFAOYSA-N 2 2 377.941 3.178 20 0 GGADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1cccc(Cl)c1 ZINC000061778995 564708836 /nfs/dbraw/zinc/70/88/36/564708836.db2.gz FXZKPPSCDOTSPP-UHFFFAOYSA-N 2 2 377.941 3.178 20 0 GGADLP C[N@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Cl)s1 ZINC000061800225 564709371 /nfs/dbraw/zinc/70/93/71/564709371.db2.gz IVWAWNOXPMRYDP-UHFFFAOYSA-N 2 2 377.941 3.178 20 0 GGADLP C[N@@H+](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(Cl)s1 ZINC000061800225 564709373 /nfs/dbraw/zinc/70/93/73/564709373.db2.gz IVWAWNOXPMRYDP-UHFFFAOYSA-N 2 2 377.941 3.178 20 0 GGADLP Brc1ccc(-c2nnc(C[N@@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)o1 ZINC000131681189 564720193 /nfs/dbraw/zinc/72/01/93/564720193.db2.gz YKHJHCBUIKQQBZ-GFCCVEGCSA-N 2 2 391.225 3.140 20 0 GGADLP Brc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Oc4cc[nH+]cc4)C3)o2)o1 ZINC000131681189 564720195 /nfs/dbraw/zinc/72/01/95/564720195.db2.gz YKHJHCBUIKQQBZ-GFCCVEGCSA-N 2 2 391.225 3.140 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000131960082 564729804 /nfs/dbraw/zinc/72/98/04/564729804.db2.gz XESCUUYERGQYJY-UHFFFAOYSA-N 2 2 384.351 3.211 20 0 GGADLP C[NH+](C)C(C)(C)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133282177 564768699 /nfs/dbraw/zinc/76/86/99/564768699.db2.gz KMQKTNFDSINVAZ-MRXNPFEDSA-N 2 2 382.346 3.042 20 0 GGADLP C[NH+](C)C(C)(C)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000133282362 564768744 /nfs/dbraw/zinc/76/87/44/564768744.db2.gz KMQKTNFDSINVAZ-INIZCTEOSA-N 2 2 382.346 3.042 20 0 GGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135296865 564826878 /nfs/dbraw/zinc/82/68/78/564826878.db2.gz HHLWEQONJDKVFV-NSHDSACASA-N 2 2 391.151 3.427 20 0 GGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135296865 564826883 /nfs/dbraw/zinc/82/68/83/564826883.db2.gz HHLWEQONJDKVFV-NSHDSACASA-N 2 2 391.151 3.427 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135298748 564827430 /nfs/dbraw/zinc/82/74/30/564827430.db2.gz TXOCLNXBDFFXBO-SNVBAGLBSA-N 2 2 377.124 3.038 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135298748 564827433 /nfs/dbraw/zinc/82/74/33/564827433.db2.gz TXOCLNXBDFFXBO-SNVBAGLBSA-N 2 2 377.124 3.038 20 0 GGADLP [NH3+]CCC1CC[NH+](Cc2ncc(Br)cc2Br)CC1 ZINC000135328723 564828047 /nfs/dbraw/zinc/82/80/47/564828047.db2.gz ZSKBOEXMLDKJBF-UHFFFAOYSA-N 2 2 377.124 3.167 20 0 GGADLP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136202610 564847328 /nfs/dbraw/zinc/84/73/28/564847328.db2.gz RMNDRNHIZOACLR-SJCJKPOMSA-N 2 2 381.904 3.422 20 0 GGADLP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000136202610 564847332 /nfs/dbraw/zinc/84/73/32/564847332.db2.gz RMNDRNHIZOACLR-SJCJKPOMSA-N 2 2 381.904 3.422 20 0 GGADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)cc1Br ZINC000092332361 564876249 /nfs/dbraw/zinc/87/62/49/564876249.db2.gz MDYFJWGKJIYNLJ-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)cc1Br ZINC000092332361 564876252 /nfs/dbraw/zinc/87/62/52/564876252.db2.gz MDYFJWGKJIYNLJ-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000093412928 564886281 /nfs/dbraw/zinc/88/62/81/564886281.db2.gz DDLRQRGQXDNQFX-UHFFFAOYSA-N 2 2 395.341 3.004 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000093412928 564886288 /nfs/dbraw/zinc/88/62/88/564886288.db2.gz DDLRQRGQXDNQFX-UHFFFAOYSA-N 2 2 395.341 3.004 20 0 GGADLP Brc1ccc2[nH+]cc(CN3CC[C@H](C[NH+]4CCCCC4)C3)n2c1 ZINC000093683402 564888592 /nfs/dbraw/zinc/88/85/92/564888592.db2.gz VPQHUDPNZXBUQC-OAHLLOKOSA-N 2 2 377.330 3.405 20 0 GGADLP Clc1cc(Cl)c2c(c1)C=C(C[N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CO2 ZINC000093664113 564889541 /nfs/dbraw/zinc/88/95/41/564889541.db2.gz FFSUAULLWDLHOR-AWEZNQCLSA-N 2 2 383.319 3.423 20 0 GGADLP Clc1cc(Cl)c2c(c1)C=C(C[N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CO2 ZINC000093664113 564889542 /nfs/dbraw/zinc/88/95/42/564889542.db2.gz FFSUAULLWDLHOR-AWEZNQCLSA-N 2 2 383.319 3.423 20 0 GGADLP C[C@@H]1C[NH+](CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)C[C@@H](C)O1 ZINC000102420499 564929242 /nfs/dbraw/zinc/92/92/42/564929242.db2.gz MFTJUHJUPQJNPY-HUUCEWRRSA-N 2 2 395.341 3.314 20 0 GGADLP C[C@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)C[NH+]1CCOCC1 ZINC000153195642 564987655 /nfs/dbraw/zinc/98/76/55/564987655.db2.gz GXRZXLLWPMSCGP-PBHICJAKSA-N 2 2 383.330 3.221 20 0 GGADLP C[C@@H](C[NH2+][C@H]1CCCOc2c(Br)cccc21)C[NH+]1CCOCC1 ZINC000153195551 564987881 /nfs/dbraw/zinc/98/78/81/564987881.db2.gz GXRZXLLWPMSCGP-YOEHRIQHSA-N 2 2 383.330 3.221 20 0 GGADLP C[C@H](C[NH2+][C@@H]1CCCOc2c(Br)cccc21)C[NH+]1CCOCC1 ZINC000153195481 564987912 /nfs/dbraw/zinc/98/79/12/564987912.db2.gz GXRZXLLWPMSCGP-RHSMWYFYSA-N 2 2 383.330 3.221 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Br)cc3Cl)C2)CC1 ZINC000107368871 564999085 /nfs/dbraw/zinc/99/90/85/564999085.db2.gz SRXXUUSAGWIFBG-MRXNPFEDSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3Cl)C2)CC1 ZINC000107368871 564999088 /nfs/dbraw/zinc/99/90/88/564999088.db2.gz SRXXUUSAGWIFBG-MRXNPFEDSA-N 2 2 386.765 3.314 20 0 GGADLP Brc1cc2c(cc1C[NH+]1CCC(n3cc[nH+]c3)CC1)OCCO2 ZINC000109792256 565032013 /nfs/dbraw/zinc/03/20/13/565032013.db2.gz LHWDLLRTYTUFCL-UHFFFAOYSA-N 2 2 378.270 3.254 20 0 GGADLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Br)c1OC ZINC000109793677 565032152 /nfs/dbraw/zinc/03/21/52/565032152.db2.gz YKJFLYLOKCVQSS-UHFFFAOYSA-N 2 2 380.286 3.500 20 0 GGADLP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1Br ZINC000154398264 565037530 /nfs/dbraw/zinc/03/75/30/565037530.db2.gz MKSLNUAEYZQILP-BEFAXECRSA-N 2 2 395.316 3.384 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NCCc1cccc(Cl)c1Cl ZINC000111243434 565052185 /nfs/dbraw/zinc/05/21/85/565052185.db2.gz ZDWYKXWGIMXHCN-UHFFFAOYSA-N 2 2 381.307 3.186 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000111383676 565053891 /nfs/dbraw/zinc/05/38/91/565053891.db2.gz DZHARFCDQKJDRG-UHFFFAOYSA-N 2 2 393.329 3.040 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000154841300 565054550 /nfs/dbraw/zinc/05/45/50/565054550.db2.gz AXQOHIJCAMHREW-QGZVFWFLSA-N 2 2 383.330 3.363 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3Br)C2)CC1 ZINC000113997720 565071930 /nfs/dbraw/zinc/07/19/30/565071930.db2.gz RKXOEPYKSHJFAY-MRXNPFEDSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3Br)C2)CC1 ZINC000113997720 565071932 /nfs/dbraw/zinc/07/19/32/565071932.db2.gz RKXOEPYKSHJFAY-MRXNPFEDSA-N 2 2 386.765 3.314 20 0 GGADLP O=C(CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1cccc(Br)c1 ZINC000156339001 565081293 /nfs/dbraw/zinc/08/12/93/565081293.db2.gz ZVURNPXCMLFRDW-QGZVFWFLSA-N 2 2 390.281 3.326 20 0 GGADLP O=C(CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1cccc(Br)c1 ZINC000156339001 565081302 /nfs/dbraw/zinc/08/13/02/565081302.db2.gz ZVURNPXCMLFRDW-QGZVFWFLSA-N 2 2 390.281 3.326 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369277300 565084779 /nfs/dbraw/zinc/08/47/79/565084779.db2.gz LBSIQJNTRKYKQZ-HNNXBMFYSA-N 2 2 384.351 3.211 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369277300 565084786 /nfs/dbraw/zinc/08/47/86/565084786.db2.gz LBSIQJNTRKYKQZ-HNNXBMFYSA-N 2 2 384.351 3.211 20 0 GGADLP C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274131 565085047 /nfs/dbraw/zinc/08/50/47/565085047.db2.gz MQDPNZBBXWQHLM-LSDHHAIUSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274131 565085053 /nfs/dbraw/zinc/08/50/53/565085053.db2.gz MQDPNZBBXWQHLM-LSDHHAIUSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156404027 565086088 /nfs/dbraw/zinc/08/60/88/565086088.db2.gz PWMREONOAHNUHC-GUYCJALGSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156404027 565086094 /nfs/dbraw/zinc/08/60/94/565086094.db2.gz PWMREONOAHNUHC-GUYCJALGSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156458430 565088015 /nfs/dbraw/zinc/08/80/15/565088015.db2.gz ZDBMMNUNAQEORL-CJNGLKHVSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156458430 565088019 /nfs/dbraw/zinc/08/80/19/565088019.db2.gz ZDBMMNUNAQEORL-CJNGLKHVSA-N 2 2 377.286 3.167 20 0 GGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000156488321 565089968 /nfs/dbraw/zinc/08/99/68/565089968.db2.gz TUDMQCUOHCYJKC-WMLDXEAASA-N 2 2 391.313 3.476 20 0 GGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000156488321 565089973 /nfs/dbraw/zinc/08/99/73/565089973.db2.gz TUDMQCUOHCYJKC-WMLDXEAASA-N 2 2 391.313 3.476 20 0 GGADLP CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369374722 565090905 /nfs/dbraw/zinc/09/09/05/565090905.db2.gz UFKCUAGYRNFOJU-CQSZACIVSA-N 2 2 384.977 3.102 20 0 GGADLP CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369374722 565090908 /nfs/dbraw/zinc/09/09/08/565090908.db2.gz UFKCUAGYRNFOJU-CQSZACIVSA-N 2 2 384.977 3.102 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Br)cc3F)C2)CC1 ZINC000369443735 565092376 /nfs/dbraw/zinc/09/23/76/565092376.db2.gz QREVZMNIMNRWHJ-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3F)C2)CC1 ZINC000369443735 565092380 /nfs/dbraw/zinc/09/23/80/565092380.db2.gz QREVZMNIMNRWHJ-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1F ZINC000266921438 565096261 /nfs/dbraw/zinc/09/62/61/565096261.db2.gz MBLGYAUWEVBDCF-LLVKDONJSA-N 2 2 381.249 3.129 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1F ZINC000266921438 565096266 /nfs/dbraw/zinc/09/62/66/565096266.db2.gz MBLGYAUWEVBDCF-LLVKDONJSA-N 2 2 381.249 3.129 20 0 GGADLP C[C@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000292388073 565113953 /nfs/dbraw/zinc/11/39/53/565113953.db2.gz RIMBSNNDTQFNOE-HNNXBMFYSA-N 2 2 396.373 3.037 20 0 GGADLP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000292388073 565113954 /nfs/dbraw/zinc/11/39/54/565113954.db2.gz RIMBSNNDTQFNOE-HNNXBMFYSA-N 2 2 396.373 3.037 20 0 GGADLP Cc1c(Br)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370147181 565131052 /nfs/dbraw/zinc/13/10/52/565131052.db2.gz APXUQLAHYQPENJ-DNVCBOLYSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1c(Br)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370147181 565131054 /nfs/dbraw/zinc/13/10/54/565131054.db2.gz APXUQLAHYQPENJ-DNVCBOLYSA-N 2 2 380.374 3.215 20 0 GGADLP CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370315998 565138164 /nfs/dbraw/zinc/13/81/64/565138164.db2.gz MRPSXAICZGKLQY-OAHLLOKOSA-N 2 2 381.973 3.350 20 0 GGADLP CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370315998 565138173 /nfs/dbraw/zinc/13/81/73/565138173.db2.gz MRPSXAICZGKLQY-OAHLLOKOSA-N 2 2 381.973 3.350 20 0 GGADLP CCSc1ccc(Cl)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370315996 565138559 /nfs/dbraw/zinc/13/85/59/565138559.db2.gz MRPSXAICZGKLQY-HNNXBMFYSA-N 2 2 381.973 3.350 20 0 GGADLP CCSc1ccc(Cl)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370315996 565138565 /nfs/dbraw/zinc/13/85/65/565138565.db2.gz MRPSXAICZGKLQY-HNNXBMFYSA-N 2 2 381.973 3.350 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Br)cc1 ZINC000292903246 565140302 /nfs/dbraw/zinc/14/03/02/565140302.db2.gz GTBXJIQFMFWNIB-KXBFYZLASA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Br)cc1 ZINC000292903246 565140307 /nfs/dbraw/zinc/14/03/07/565140307.db2.gz GTBXJIQFMFWNIB-KXBFYZLASA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Br)cc1 ZINC000292903246 565140309 /nfs/dbraw/zinc/14/03/09/565140309.db2.gz GTBXJIQFMFWNIB-KXBFYZLASA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(Br)cc1 ZINC000292903246 565140317 /nfs/dbraw/zinc/14/03/17/565140317.db2.gz GTBXJIQFMFWNIB-KXBFYZLASA-N 2 2 394.357 3.044 20 0 GGADLP Cn1cc(Br)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000292927998 565142431 /nfs/dbraw/zinc/14/24/31/565142431.db2.gz MGYPLHXQYXWONP-UHFFFAOYSA-N 2 2 378.318 3.095 20 0 GGADLP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000370704962 565157281 /nfs/dbraw/zinc/15/72/81/565157281.db2.gz CPGFGAORUYZVII-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000370704962 565157285 /nfs/dbraw/zinc/15/72/85/565157285.db2.gz CPGFGAORUYZVII-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000370695657 565157328 /nfs/dbraw/zinc/15/73/28/565157328.db2.gz BZUSPOQUOZLZKQ-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000370695657 565157334 /nfs/dbraw/zinc/15/73/34/565157334.db2.gz BZUSPOQUOZLZKQ-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP CN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370829461 565164182 /nfs/dbraw/zinc/16/41/82/565164182.db2.gz GRTCQVMHZZEEDA-ZDUSSCGKSA-N 2 2 388.314 3.373 20 0 GGADLP CN(C(=O)c1cc(F)c(Cl)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370829461 565164186 /nfs/dbraw/zinc/16/41/86/565164186.db2.gz GRTCQVMHZZEEDA-ZDUSSCGKSA-N 2 2 388.314 3.373 20 0 GGADLP Cc1c([C@@H](C)[NH2+]CCCn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000268747406 565166475 /nfs/dbraw/zinc/16/64/75/565166475.db2.gz SNFIVZSDWCZJLE-CYBMUJFWSA-N 2 2 389.301 3.276 20 0 GGADLP Cc1cc(N2CC[C@@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2=O)ccc1Br ZINC000184920174 565166624 /nfs/dbraw/zinc/16/66/24/565166624.db2.gz IIOGQCNSDSWKGY-GOSISDBHSA-N 2 2 394.357 3.325 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@@H](C)C1 ZINC000268760302 565166967 /nfs/dbraw/zinc/16/69/67/565166967.db2.gz LDUOWPZSTGQKHJ-GXFFZTMASA-N 2 2 375.826 3.221 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)[C@@H](C)C1 ZINC000268760302 565166970 /nfs/dbraw/zinc/16/69/70/565166970.db2.gz LDUOWPZSTGQKHJ-GXFFZTMASA-N 2 2 375.826 3.221 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2I)CC1 ZINC000268799676 565167686 /nfs/dbraw/zinc/16/76/86/565167686.db2.gz JSVSHHGJGXGURC-CYBMUJFWSA-N 2 2 388.293 3.053 20 0 GGADLP CCC[NH+]1CCC([NH2+]Cc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1 ZINC000268774367 565168328 /nfs/dbraw/zinc/16/83/28/565168328.db2.gz REHXBPSHYVQRSC-UHFFFAOYSA-N 2 2 375.826 3.366 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Br)c(C)c3)C2=O)CC1 ZINC000184991674 565170539 /nfs/dbraw/zinc/17/05/39/565170539.db2.gz WPYJRKHEROOIGC-GOSISDBHSA-N 2 2 394.357 3.327 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000158529665 565172219 /nfs/dbraw/zinc/17/22/19/565172219.db2.gz FVXRUFZHZZBLOJ-HOCLYGCPSA-N 2 2 391.313 3.415 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000158529665 565172221 /nfs/dbraw/zinc/17/22/21/565172221.db2.gz FVXRUFZHZZBLOJ-HOCLYGCPSA-N 2 2 391.313 3.415 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000158529665 565172223 /nfs/dbraw/zinc/17/22/23/565172223.db2.gz FVXRUFZHZZBLOJ-HOCLYGCPSA-N 2 2 391.313 3.415 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000158529665 565172225 /nfs/dbraw/zinc/17/22/25/565172225.db2.gz FVXRUFZHZZBLOJ-HOCLYGCPSA-N 2 2 391.313 3.415 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc(Br)c3c(c1)OCCO3)CCC2 ZINC000371068878 565176327 /nfs/dbraw/zinc/17/63/27/565176327.db2.gz JOLBFBWYFBBRQB-CQSZACIVSA-N 2 2 392.297 3.392 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+]Cc3cccc4[nH+]ccn43)C2=O)ccc1Br ZINC000185189822 565185342 /nfs/dbraw/zinc/18/53/42/565185342.db2.gz MREHSFYNFWTFSX-KRWDZBQOSA-N 2 2 399.292 3.300 20 0 GGADLP COc1cc(C[NH2+]Cc2c[nH+]ccc2N(C)C)cc(Br)c1OC ZINC000185187086 565186012 /nfs/dbraw/zinc/18/60/12/565186012.db2.gz AVGSOJHIFSIGHT-UHFFFAOYSA-N 2 2 380.286 3.217 20 0 GGADLP C[C@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000371420298 565192134 /nfs/dbraw/zinc/19/21/34/565192134.db2.gz VJJSKENFWRSAAA-APWZRJJASA-N 2 2 380.374 3.264 20 0 GGADLP C[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000371420298 565192136 /nfs/dbraw/zinc/19/21/36/565192136.db2.gz VJJSKENFWRSAAA-APWZRJJASA-N 2 2 380.374 3.264 20 0 GGADLP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000371420301 565192295 /nfs/dbraw/zinc/19/22/95/565192295.db2.gz VJJSKENFWRSAAA-QFBILLFUSA-N 2 2 380.374 3.264 20 0 GGADLP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000371420301 565192297 /nfs/dbraw/zinc/19/22/97/565192297.db2.gz VJJSKENFWRSAAA-QFBILLFUSA-N 2 2 380.374 3.264 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371470076 565194961 /nfs/dbraw/zinc/19/49/61/565194961.db2.gz IOROSIWDMPPHIB-JCGIZDLHSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371470076 565194966 /nfs/dbraw/zinc/19/49/66/565194966.db2.gz IOROSIWDMPPHIB-JCGIZDLHSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371470074 565195247 /nfs/dbraw/zinc/19/52/47/565195247.db2.gz IOROSIWDMPPHIB-BMGDILEWSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371470074 565195251 /nfs/dbraw/zinc/19/52/51/565195251.db2.gz IOROSIWDMPPHIB-BMGDILEWSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371470077 565195393 /nfs/dbraw/zinc/19/53/93/565195393.db2.gz IOROSIWDMPPHIB-ZTFGCOKTSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371470077 565195401 /nfs/dbraw/zinc/19/54/01/565195401.db2.gz IOROSIWDMPPHIB-ZTFGCOKTSA-N 2 2 383.330 3.141 20 0 GGADLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730038 565218750 /nfs/dbraw/zinc/21/87/50/565218750.db2.gz ZYFDXMKHLRDCOG-JOQOYGCGSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730038 565218753 /nfs/dbraw/zinc/21/87/53/565218753.db2.gz ZYFDXMKHLRDCOG-JOQOYGCGSA-N 2 2 394.357 3.218 20 0 GGADLP Nc1c(Br)cc(Br)cc1C[NH2+]CCCn1cc[nH+]c1 ZINC000185755017 565220740 /nfs/dbraw/zinc/22/07/40/565220740.db2.gz VGMNKZRWLYOZGP-UHFFFAOYSA-N 2 2 388.107 3.170 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ncc(Br)cc1F ZINC000372408665 565236513 /nfs/dbraw/zinc/23/65/13/565236513.db2.gz MBCKIHSTXAVRGM-NSHDSACASA-N 2 2 376.233 3.415 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000295273287 565256581 /nfs/dbraw/zinc/25/65/81/565256581.db2.gz VWIURQOKOYBPDL-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000373106724 565270523 /nfs/dbraw/zinc/27/05/23/565270523.db2.gz MAUZIVHLIMFVDE-NSHDSACASA-N 2 2 392.257 3.205 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000373106724 565270527 /nfs/dbraw/zinc/27/05/27/565270527.db2.gz MAUZIVHLIMFVDE-NSHDSACASA-N 2 2 392.257 3.205 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@@H]1CCCn2cc(C)[nH+]c21 ZINC000373459712 565286686 /nfs/dbraw/zinc/28/66/86/565286686.db2.gz GJTJBHUDUXWNBQ-HNNXBMFYSA-N 2 2 381.929 3.306 20 0 GGADLP OC[C@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(Br)cc1 ZINC000272548436 565289916 /nfs/dbraw/zinc/28/99/16/565289916.db2.gz LTJIBCAUJIAQSC-HNNXBMFYSA-N 2 2 395.263 3.489 20 0 GGADLP COc1ccc(Br)c([C@@H](CO)[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000296043127 565299603 /nfs/dbraw/zinc/29/96/03/565299603.db2.gz FHZQJFJGDSLLBS-QGZVFWFLSA-N 2 2 382.302 3.018 20 0 GGADLP COc1ccc(Br)c([C@@H](CO)[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000296043127 565299610 /nfs/dbraw/zinc/29/96/10/565299610.db2.gz FHZQJFJGDSLLBS-QGZVFWFLSA-N 2 2 382.302 3.018 20 0 GGADLP C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000373904802 565308582 /nfs/dbraw/zinc/30/85/82/565308582.db2.gz JANLEQLNISSGSL-FVQBIDKESA-N 2 2 381.973 3.132 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(Br)c3F)cn2)CC1 ZINC000296265263 565310076 /nfs/dbraw/zinc/31/00/76/565310076.db2.gz DNROILXKEUCTRO-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP Cc1cc(Br)cn2c(C[N@@H+]3CCS[C@@H]4COCC[C@H]43)c[nH+]c12 ZINC000273221469 565312868 /nfs/dbraw/zinc/31/28/68/565312868.db2.gz VKUZSNRNZDGRIM-HUUCEWRRSA-N 2 2 382.327 3.112 20 0 GGADLP Cc1cc(Br)cn2c(C[N@H+]3CCS[C@@H]4COCC[C@H]43)c[nH+]c12 ZINC000273221469 565312874 /nfs/dbraw/zinc/31/28/74/565312874.db2.gz VKUZSNRNZDGRIM-HUUCEWRRSA-N 2 2 382.327 3.112 20 0 GGADLP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1 ZINC000273385124 565318497 /nfs/dbraw/zinc/31/84/97/565318497.db2.gz GWLIXTPYITWRRA-UHFFFAOYSA-N 2 2 377.897 3.342 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)CCn3cccn3)[nH+]c12 ZINC000273379936 565318644 /nfs/dbraw/zinc/31/86/44/565318644.db2.gz BXHNFRZXAMVNNR-CQSZACIVSA-N 2 2 376.302 3.213 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc(Br)c3F)ccn2)CC1 ZINC000296470973 565319596 /nfs/dbraw/zinc/31/95/96/565319596.db2.gz PLTBIABBIJTJAY-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCCc4c3cnn4C)[nH+]c12 ZINC000273404256 565320200 /nfs/dbraw/zinc/32/02/00/565320200.db2.gz GXEKEQRVOPDHQZ-INIZCTEOSA-N 2 2 388.313 3.348 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCCc4c3cnn4C)[nH+]c12 ZINC000273404259 565320298 /nfs/dbraw/zinc/32/02/98/565320298.db2.gz GXEKEQRVOPDHQZ-MRXNPFEDSA-N 2 2 388.313 3.348 20 0 GGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273496076 565323697 /nfs/dbraw/zinc/32/36/97/565323697.db2.gz XNQVIKJUYXZGRO-UHFFFAOYSA-N 2 2 377.897 3.191 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000187367910 565328001 /nfs/dbraw/zinc/32/80/01/565328001.db2.gz LDTPELHIKRMHNA-DYVFJYSZSA-N 2 2 396.304 3.310 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000187367910 565328006 /nfs/dbraw/zinc/32/80/06/565328006.db2.gz LDTPELHIKRMHNA-DYVFJYSZSA-N 2 2 396.304 3.310 20 0 GGADLP C[C@H]1C[N@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374327175 565332875 /nfs/dbraw/zinc/33/28/75/565332875.db2.gz HMUFRIVCGIDAGI-DOTOQJQBSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]1C[N@@H+](Cc2csc(-c3cccs3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374327175 565332878 /nfs/dbraw/zinc/33/28/78/565332878.db2.gz HMUFRIVCGIDAGI-DOTOQJQBSA-N 2 2 376.595 3.329 20 0 GGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCc3ccccc3Br)CC2)C1 ZINC000374582195 565346467 /nfs/dbraw/zinc/34/64/67/565346467.db2.gz BWJQELCXEVFOQL-GOSISDBHSA-N 2 2 380.374 3.094 20 0 GGADLP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCc3ccccc3Br)CC2)C1 ZINC000374582195 565346472 /nfs/dbraw/zinc/34/64/72/565346472.db2.gz BWJQELCXEVFOQL-GOSISDBHSA-N 2 2 380.374 3.094 20 0 GGADLP COC1CC[NH+](CC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000163722030 565351228 /nfs/dbraw/zinc/35/12/28/565351228.db2.gz PHNBWHDRBWQCTR-KRWDZBQOSA-N 2 2 383.330 3.363 20 0 GGADLP CC[NH+]1CCC([NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000274206324 565362203 /nfs/dbraw/zinc/36/22/03/565362203.db2.gz MISORHMMIUGTHT-UHFFFAOYSA-N 2 2 391.151 3.368 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3cncc(Br)c3)[nH+]c2)CC1 ZINC000274229337 565362909 /nfs/dbraw/zinc/36/29/09/565362909.db2.gz DOULADMSGCUMMJ-UHFFFAOYSA-N 2 2 390.329 3.382 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000375081040 565367083 /nfs/dbraw/zinc/36/70/83/565367083.db2.gz NXVNRXMESAPAKG-AWEZNQCLSA-N 2 2 388.313 3.285 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000375081040 565367085 /nfs/dbraw/zinc/36/70/85/565367085.db2.gz NXVNRXMESAPAKG-AWEZNQCLSA-N 2 2 388.313 3.285 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165372695 565369848 /nfs/dbraw/zinc/36/98/48/565369848.db2.gz URZAMXBVUZQQCZ-AWEZNQCLSA-N 2 2 395.320 3.427 20 0 GGADLP Ic1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)nc2)c1 ZINC000375127128 565370582 /nfs/dbraw/zinc/37/05/82/565370582.db2.gz BFKPSJFXHKBPQI-UHFFFAOYSA-N 2 2 390.228 3.162 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000297481545 565374225 /nfs/dbraw/zinc/37/42/25/565374225.db2.gz LRXOJFNXMCEQJQ-UHFFFAOYSA-N 2 2 397.357 3.191 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000297481545 565374228 /nfs/dbraw/zinc/37/42/28/565374228.db2.gz LRXOJFNXMCEQJQ-UHFFFAOYSA-N 2 2 397.357 3.191 20 0 GGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000166356310 565374494 /nfs/dbraw/zinc/37/44/94/565374494.db2.gz TVKRBFSSFUXALQ-BFHYXJOUSA-N 2 2 381.314 3.498 20 0 GGADLP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc2c(cc1Br)OCCO2 ZINC000166356310 565374499 /nfs/dbraw/zinc/37/44/99/565374499.db2.gz TVKRBFSSFUXALQ-BFHYXJOUSA-N 2 2 381.314 3.498 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+]1C ZINC000166364933 565374860 /nfs/dbraw/zinc/37/48/60/565374860.db2.gz PSZRSRBTHYLCTH-QGZVFWFLSA-N 2 2 377.330 3.435 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+]1C ZINC000166364933 565374866 /nfs/dbraw/zinc/37/48/66/565374866.db2.gz PSZRSRBTHYLCTH-QGZVFWFLSA-N 2 2 377.330 3.435 20 0 GGADLP CSC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000188112611 565380118 /nfs/dbraw/zinc/38/01/18/565380118.db2.gz KWRWDYWDQIHQBO-QGZVFWFLSA-N 2 2 376.488 3.326 20 0 GGADLP CSC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000188112611 565380120 /nfs/dbraw/zinc/38/01/20/565380120.db2.gz KWRWDYWDQIHQBO-QGZVFWFLSA-N 2 2 376.488 3.326 20 0 GGADLP CSCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000168558572 565380676 /nfs/dbraw/zinc/38/06/76/565380676.db2.gz YENASGWRTBXAJT-INIZCTEOSA-N 2 2 390.380 3.154 20 0 GGADLP CSCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000168558661 565381260 /nfs/dbraw/zinc/38/12/60/565381260.db2.gz YENASGWRTBXAJT-MRXNPFEDSA-N 2 2 390.380 3.154 20 0 GGADLP CC[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)cc1Cl ZINC000168942845 565382167 /nfs/dbraw/zinc/38/21/67/565382167.db2.gz RYRBUDSFDSHPIC-IBGZPJMESA-N 2 2 388.383 3.424 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1cc(Cl)ccc1Cl ZINC000376339996 565432351 /nfs/dbraw/zinc/43/23/51/565432351.db2.gz JEVXCPNDMATCOY-HNNXBMFYSA-N 2 2 386.367 3.441 20 0 GGADLP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)NCc3ccc(Cl)s3)C2)[nH+]1 ZINC000171649140 565442099 /nfs/dbraw/zinc/44/20/99/565442099.db2.gz RTNJXAYESGKDAJ-AWEZNQCLSA-N 2 2 378.929 3.155 20 0 GGADLP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)NCc3ccc(Cl)s3)C2)[nH+]1 ZINC000171649140 565442105 /nfs/dbraw/zinc/44/21/05/565442105.db2.gz RTNJXAYESGKDAJ-AWEZNQCLSA-N 2 2 378.929 3.155 20 0 GGADLP CSCC[C@H]([NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)C(=O)N(C)C ZINC000376744073 565452501 /nfs/dbraw/zinc/45/25/01/565452501.db2.gz PJIKHJXOFWPUFC-SFHVURJKSA-N 2 2 383.989 3.104 20 0 GGADLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000277289633 565487100 /nfs/dbraw/zinc/48/71/00/565487100.db2.gz ANQAIDIZDQPCOC-GOSISDBHSA-N 2 2 396.373 3.202 20 0 GGADLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000277289633 565487104 /nfs/dbraw/zinc/48/71/04/565487104.db2.gz ANQAIDIZDQPCOC-GOSISDBHSA-N 2 2 396.373 3.202 20 0 GGADLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3c(Br)cccc23)CC1 ZINC000301505637 565490588 /nfs/dbraw/zinc/49/05/88/565490588.db2.gz GTVZHPSNQCYGEG-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000377919885 565505488 /nfs/dbraw/zinc/50/54/88/565505488.db2.gz VWZYKOXFIOVAAP-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000377919885 565505492 /nfs/dbraw/zinc/50/54/92/565505492.db2.gz VWZYKOXFIOVAAP-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP COc1cc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)cc(Br)c1O ZINC000377948444 565505742 /nfs/dbraw/zinc/50/57/42/565505742.db2.gz LRRFBVTWSDMACX-CYBMUJFWSA-N 2 2 380.286 3.335 20 0 GGADLP Cc1cc(CNc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)ncc1Br ZINC000623469007 565512314 /nfs/dbraw/zinc/51/23/14/565512314.db2.gz MUMQEDANOUTFOO-MRXNPFEDSA-N 2 2 390.329 3.300 20 0 GGADLP C[C@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378310339 565521438 /nfs/dbraw/zinc/52/14/38/565521438.db2.gz CEBWBAWRKVCFDN-YJBOKZPZSA-N 2 2 386.367 3.330 20 0 GGADLP C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378310339 565521441 /nfs/dbraw/zinc/52/14/41/565521441.db2.gz CEBWBAWRKVCFDN-YJBOKZPZSA-N 2 2 386.367 3.330 20 0 GGADLP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190511516 565537877 /nfs/dbraw/zinc/53/78/77/565537877.db2.gz ZUCUSERPDATFSE-MRXNPFEDSA-N 2 2 394.313 3.335 20 0 GGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000190511516 565537882 /nfs/dbraw/zinc/53/78/82/565537882.db2.gz ZUCUSERPDATFSE-MRXNPFEDSA-N 2 2 394.313 3.335 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1Br ZINC000383443584 565544412 /nfs/dbraw/zinc/54/44/12/565544412.db2.gz HPNOBCFTMFEAGJ-KRWDZBQOSA-N 2 2 391.357 3.493 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000383443584 565544418 /nfs/dbraw/zinc/54/44/18/565544418.db2.gz HPNOBCFTMFEAGJ-KRWDZBQOSA-N 2 2 391.357 3.493 20 0 GGADLP CC1(C)CC([NH2+]Cc2ncc(I)s2)CC(C)(C)[NH2+]1 ZINC000385005501 565545569 /nfs/dbraw/zinc/54/55/69/565545569.db2.gz VEMVYSXQTJTIOO-UHFFFAOYSA-N 2 2 379.311 3.147 20 0 GGADLP Brc1cnn(CCC[NH2+][C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000390769762 565557389 /nfs/dbraw/zinc/55/73/89/565557389.db2.gz IHEZFXWADQHLEI-GOSISDBHSA-N 2 2 377.330 3.290 20 0 GGADLP Brc1cnn(CCC[NH2+][C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000390769762 565557393 /nfs/dbraw/zinc/55/73/93/565557393.db2.gz IHEZFXWADQHLEI-GOSISDBHSA-N 2 2 377.330 3.290 20 0 GGADLP Brc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1 ZINC000390907569 565559372 /nfs/dbraw/zinc/55/93/72/565559372.db2.gz LXCSHMBUZHARCG-IBGZPJMESA-N 2 2 390.325 3.225 20 0 GGADLP Brc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)nc1 ZINC000390907569 565559376 /nfs/dbraw/zinc/55/93/76/565559376.db2.gz LXCSHMBUZHARCG-IBGZPJMESA-N 2 2 390.325 3.225 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000397339505 565575029 /nfs/dbraw/zinc/57/50/29/565575029.db2.gz VEPWKZPFHMHKQC-DYEKYZERSA-N 2 2 379.302 3.304 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000397339505 565575033 /nfs/dbraw/zinc/57/50/33/565575033.db2.gz VEPWKZPFHMHKQC-DYEKYZERSA-N 2 2 379.302 3.304 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173783006 565586515 /nfs/dbraw/zinc/58/65/15/565586515.db2.gz MUZUGSSACMZTJL-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000173783006 565586518 /nfs/dbraw/zinc/58/65/18/565586518.db2.gz MUZUGSSACMZTJL-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP Cc1nn(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)c1Br ZINC000279082003 565594996 /nfs/dbraw/zinc/59/49/96/565594996.db2.gz HGIOCUPIBLGWQQ-UHFFFAOYSA-N 2 2 392.276 3.414 20 0 GGADLP Cc1nn(C)c(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)c1Br ZINC000279108562 565596174 /nfs/dbraw/zinc/59/61/74/565596174.db2.gz KCBZLNPPRDDJKI-CQSZACIVSA-N 2 2 392.345 3.201 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000173906544 565598590 /nfs/dbraw/zinc/59/85/90/565598590.db2.gz KGKWJCLCDSHPMV-DOTOQJQBSA-N 2 2 396.373 3.070 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000173906544 565598592 /nfs/dbraw/zinc/59/85/92/565598592.db2.gz KGKWJCLCDSHPMV-DOTOQJQBSA-N 2 2 396.373 3.070 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000173906544 565598595 /nfs/dbraw/zinc/59/85/95/565598595.db2.gz KGKWJCLCDSHPMV-DOTOQJQBSA-N 2 2 396.373 3.070 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000173906544 565598597 /nfs/dbraw/zinc/59/85/97/565598597.db2.gz KGKWJCLCDSHPMV-DOTOQJQBSA-N 2 2 396.373 3.070 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000191490453 565607768 /nfs/dbraw/zinc/60/77/68/565607768.db2.gz IQCAUPCYKRGJQH-KRWDZBQOSA-N 2 2 393.329 3.147 20 0 GGADLP C[N@H+](Cc1ccc(Br)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000191536398 565611201 /nfs/dbraw/zinc/61/12/01/565611201.db2.gz AHCCJMGNVHINMY-GOSISDBHSA-N 2 2 379.298 3.111 20 0 GGADLP C[N@@H+](Cc1ccc(Br)o1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000191536398 565611205 /nfs/dbraw/zinc/61/12/05/565611205.db2.gz AHCCJMGNVHINMY-GOSISDBHSA-N 2 2 379.298 3.111 20 0 GGADLP C[NH+](Cc1ccc(Br)o1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000191536398 565611207 /nfs/dbraw/zinc/61/12/07/565611207.db2.gz AHCCJMGNVHINMY-GOSISDBHSA-N 2 2 379.298 3.111 20 0 GGADLP C[NH+](Cc1ccc(Br)o1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000191536398 565611210 /nfs/dbraw/zinc/61/12/10/565611210.db2.gz AHCCJMGNVHINMY-GOSISDBHSA-N 2 2 379.298 3.111 20 0 GGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000191681173 565620525 /nfs/dbraw/zinc/62/05/25/565620525.db2.gz LJMWTEMKVGBPMF-QGZVFWFLSA-N 2 2 380.330 3.017 20 0 GGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000191681185 565620795 /nfs/dbraw/zinc/62/07/95/565620795.db2.gz LJMWTEMKVGBPMF-KRWDZBQOSA-N 2 2 380.330 3.017 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000174212207 565621624 /nfs/dbraw/zinc/62/16/24/565621624.db2.gz YVXONNRVGXZJKO-INIZCTEOSA-N 2 2 396.373 3.071 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C1 ZINC000174212207 565621627 /nfs/dbraw/zinc/62/16/27/565621627.db2.gz YVXONNRVGXZJKO-INIZCTEOSA-N 2 2 396.373 3.071 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174228499 565622242 /nfs/dbraw/zinc/62/22/42/565622242.db2.gz MTIGEBSRWPYOBC-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174228499 565622247 /nfs/dbraw/zinc/62/22/47/565622247.db2.gz MTIGEBSRWPYOBC-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP Cc1nn(C)c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1Br ZINC000279681437 565626804 /nfs/dbraw/zinc/62/68/04/565626804.db2.gz AKYNCARZSIPVAY-UHFFFAOYSA-N 2 2 392.345 3.403 20 0 GGADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(Cl)c1 ZINC000409614845 565627658 /nfs/dbraw/zinc/62/76/58/565627658.db2.gz XXNWWPBCGXIOBT-GOSISDBHSA-N 2 2 377.941 3.349 20 0 GGADLP C[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@@H+]1CC(C)(C)O ZINC000409652000 565630446 /nfs/dbraw/zinc/63/04/46/565630446.db2.gz JWYWMEMLUICFNA-GFCCVEGCSA-N 2 2 396.304 3.418 20 0 GGADLP C[C@@H]1CN(c2cc[nH+]c3c(Br)ccc(F)c23)CC[N@H+]1CC(C)(C)O ZINC000409652000 565630451 /nfs/dbraw/zinc/63/04/51/565630451.db2.gz JWYWMEMLUICFNA-GFCCVEGCSA-N 2 2 396.304 3.418 20 0 GGADLP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)[C@@H](C)C1 ZINC000409644136 565630487 /nfs/dbraw/zinc/63/04/87/565630487.db2.gz LPPISKFFGCNJKJ-NWDGAFQWSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)[C@@H](C)C1 ZINC000409644136 565630491 /nfs/dbraw/zinc/63/04/91/565630491.db2.gz LPPISKFFGCNJKJ-NWDGAFQWSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)[C@@H](C)C1 ZINC000409644137 565630517 /nfs/dbraw/zinc/63/05/17/565630517.db2.gz LPPISKFFGCNJKJ-RYUDHWBXSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)[C@@H](C)C1 ZINC000409644137 565630520 /nfs/dbraw/zinc/63/05/20/565630520.db2.gz LPPISKFFGCNJKJ-RYUDHWBXSA-N 2 2 382.277 3.028 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174968229 565670133 /nfs/dbraw/zinc/67/01/33/565670133.db2.gz VURYSXFOIINOLX-JKSUJKDBSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174968229 565670138 /nfs/dbraw/zinc/67/01/38/565670138.db2.gz VURYSXFOIINOLX-JKSUJKDBSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174968229 565670141 /nfs/dbraw/zinc/67/01/41/565670141.db2.gz VURYSXFOIINOLX-JKSUJKDBSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174968229 565670144 /nfs/dbraw/zinc/67/01/44/565670144.db2.gz VURYSXFOIINOLX-JKSUJKDBSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174968205 565670372 /nfs/dbraw/zinc/67/03/72/565670372.db2.gz VURYSXFOIINOLX-HOTGVXAUSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174968205 565670373 /nfs/dbraw/zinc/67/03/73/565670373.db2.gz VURYSXFOIINOLX-HOTGVXAUSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174968205 565670377 /nfs/dbraw/zinc/67/03/77/565670377.db2.gz VURYSXFOIINOLX-HOTGVXAUSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C1 ZINC000174968205 565670381 /nfs/dbraw/zinc/67/03/81/565670381.db2.gz VURYSXFOIINOLX-HOTGVXAUSA-N 2 2 396.373 3.290 20 0 GGADLP COC(=O)CC[N@H+](CCCn1cc[nH+]c1)Cc1cccc(Br)c1 ZINC000192330969 565680690 /nfs/dbraw/zinc/68/06/90/565680690.db2.gz RWOBFQUGTKJAPE-UHFFFAOYSA-N 2 2 380.286 3.101 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3c(F)cccc3Br)ccn2)CC1 ZINC000192478699 565695269 /nfs/dbraw/zinc/69/52/69/565695269.db2.gz GGZOYXXMWPCXHV-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192520051 565697133 /nfs/dbraw/zinc/69/71/33/565697133.db2.gz VVWRXQYHQYPRSG-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1cccc(Br)c1 ZINC000330337921 565701666 /nfs/dbraw/zinc/70/16/66/565701666.db2.gz UQSVLNSBOLBOAV-INIZCTEOSA-N 2 2 389.297 3.157 20 0 GGADLP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000281027579 565708771 /nfs/dbraw/zinc/70/87/71/565708771.db2.gz ZWKZZZQOQCRPEE-KRWDZBQOSA-N 2 2 387.977 3.162 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(Br)cc1 ZINC000175594246 565711567 /nfs/dbraw/zinc/71/15/67/565711567.db2.gz ZGZVVOOIPGHOHR-SJORKVTESA-N 2 2 380.330 3.336 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(Br)cc1 ZINC000175594246 565711568 /nfs/dbraw/zinc/71/15/68/565711568.db2.gz ZGZVVOOIPGHOHR-SJORKVTESA-N 2 2 380.330 3.336 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(Br)cc1 ZINC000175594246 565711569 /nfs/dbraw/zinc/71/15/69/565711569.db2.gz ZGZVVOOIPGHOHR-SJORKVTESA-N 2 2 380.330 3.336 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(Br)cc1 ZINC000175594246 565711570 /nfs/dbraw/zinc/71/15/70/565711570.db2.gz ZGZVVOOIPGHOHR-SJORKVTESA-N 2 2 380.330 3.336 20 0 GGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000282181841 565768099 /nfs/dbraw/zinc/76/80/99/565768099.db2.gz ZMMPFBAHNUQAKW-JKSUJKDBSA-N 2 2 389.284 3.195 20 0 GGADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccc(Br)c1 ZINC000282949883 565803642 /nfs/dbraw/zinc/80/36/42/565803642.db2.gz BWVJDALXDVWCTN-LJQANCHMSA-N 2 2 390.325 3.132 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332165012 565811294 /nfs/dbraw/zinc/81/12/94/565811294.db2.gz PGYMAQHONQKUEE-OLZOCXBDSA-N 2 2 377.286 3.379 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332165012 565811303 /nfs/dbraw/zinc/81/13/03/565811303.db2.gz PGYMAQHONQKUEE-OLZOCXBDSA-N 2 2 377.286 3.379 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000177152273 565832323 /nfs/dbraw/zinc/83/23/23/565832323.db2.gz KGQYWLPIPBFFNU-JKSUJKDBSA-N 2 2 384.351 3.239 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000177153692 565832348 /nfs/dbraw/zinc/83/23/48/565832348.db2.gz YJWJYKZWOPUUKI-QZTJIDSGSA-N 2 2 384.351 3.239 20 0 GGADLP NC(=O)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(Br)cc1 ZINC000177483121 565854893 /nfs/dbraw/zinc/85/48/93/565854893.db2.gz FPTVRFXAZAPOHU-SFHVURJKSA-N 2 2 394.357 3.362 20 0 GGADLP O=S(=O)(CC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1ccc(Cl)cc1 ZINC000195249827 565870007 /nfs/dbraw/zinc/87/00/07/565870007.db2.gz PWOCHZFPLXSCAF-UHFFFAOYSA-N 2 2 375.881 3.089 20 0 GGADLP Brc1cccc(OCC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000177926949 565881321 /nfs/dbraw/zinc/88/13/21/565881321.db2.gz FVHZEWYYXMONBY-UHFFFAOYSA-N 2 2 390.325 3.477 20 0 GGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1ccccc1Br ZINC000285128048 565888888 /nfs/dbraw/zinc/88/88/88/565888888.db2.gz NUFWBJLSSIZTSO-WZYMTQMTSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccccc1Br ZINC000285128048 565888892 /nfs/dbraw/zinc/88/88/92/565888892.db2.gz NUFWBJLSSIZTSO-WZYMTQMTSA-N 2 2 394.357 3.183 20 0 GGADLP C[NH+](C)CC1CC[NH+](c2ccc(NS(=O)(=O)c3ccsc3)cc2)CC1 ZINC000285196564 565893152 /nfs/dbraw/zinc/89/31/52/565893152.db2.gz VWAJDEUNVKNVDE-UHFFFAOYSA-N 2 2 379.551 3.327 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414151753 565898935 /nfs/dbraw/zinc/89/89/35/565898935.db2.gz ZDAQVXHDDUWQBL-RTBURBONSA-N 2 2 375.310 3.195 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414151753 565898937 /nfs/dbraw/zinc/89/89/37/565898937.db2.gz ZDAQVXHDDUWQBL-RTBURBONSA-N 2 2 375.310 3.195 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3cc4n(n3)CCC4)[nH+]c12 ZINC000414151200 565899489 /nfs/dbraw/zinc/89/94/89/565899489.db2.gz YWOSGWOORFXNGK-ZDUSSCGKSA-N 2 2 388.313 3.441 20 0 GGADLP CC[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000414356038 565915103 /nfs/dbraw/zinc/91/51/03/565915103.db2.gz YGTKAMHZTMZTMU-DNVCBOLYSA-N 2 2 380.374 3.343 20 0 GGADLP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000414356038 565915108 /nfs/dbraw/zinc/91/51/08/565915108.db2.gz YGTKAMHZTMZTMU-DNVCBOLYSA-N 2 2 380.374 3.343 20 0 GGADLP Cc1ccc(NC(=O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Br)c1 ZINC000285596989 565915839 /nfs/dbraw/zinc/91/58/39/565915839.db2.gz UWWITSGWMCPINA-YIONKMFJSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1ccc(NC(=O)C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Br)c1 ZINC000285596989 565915844 /nfs/dbraw/zinc/91/58/44/565915844.db2.gz UWWITSGWMCPINA-YIONKMFJSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1ccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000285596989 565915850 /nfs/dbraw/zinc/91/58/50/565915850.db2.gz UWWITSGWMCPINA-YIONKMFJSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1ccc(NC(=O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000285596989 565915855 /nfs/dbraw/zinc/91/58/55/565915855.db2.gz UWWITSGWMCPINA-YIONKMFJSA-N 2 2 380.330 3.253 20 0 GGADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccsc2S1 ZINC000285614390 565917342 /nfs/dbraw/zinc/91/73/42/565917342.db2.gz JHYXDUJPKPHKKY-LFLYSQGHSA-N 2 2 379.595 3.347 20 0 GGADLP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccsc2S1 ZINC000285614390 565917346 /nfs/dbraw/zinc/91/73/46/565917346.db2.gz JHYXDUJPKPHKKY-LFLYSQGHSA-N 2 2 379.595 3.347 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc(Br)ccc2o1 ZINC000285624246 565918101 /nfs/dbraw/zinc/91/81/01/565918101.db2.gz NAAZWZPPNRACBH-UHFFFAOYSA-N 2 2 395.345 3.048 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc(Br)ccc2o1 ZINC000285624246 565918104 /nfs/dbraw/zinc/91/81/04/565918104.db2.gz NAAZWZPPNRACBH-UHFFFAOYSA-N 2 2 395.345 3.048 20 0 GGADLP CN(CC[N@H+](C)Cc1nc2cc(Br)ccc2o1)C1CC[NH+](C)CC1 ZINC000285624246 565918113 /nfs/dbraw/zinc/91/81/13/565918113.db2.gz NAAZWZPPNRACBH-UHFFFAOYSA-N 2 2 395.345 3.048 20 0 GGADLP CN(CC[N@@H+](C)Cc1nc2cc(Br)ccc2o1)C1CC[NH+](C)CC1 ZINC000285624246 565918119 /nfs/dbraw/zinc/91/81/19/565918119.db2.gz NAAZWZPPNRACBH-UHFFFAOYSA-N 2 2 395.345 3.048 20 0 GGADLP C[C@@H](NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Br)cc1 ZINC000285665280 565920882 /nfs/dbraw/zinc/92/08/82/565920882.db2.gz ZICZHFXPPFIVTD-DTWYCDNDSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Br)cc1 ZINC000285665280 565920885 /nfs/dbraw/zinc/92/08/85/565920885.db2.gz ZICZHFXPPFIVTD-DTWYCDNDSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Br)cc1 ZINC000285665280 565920890 /nfs/dbraw/zinc/92/08/90/565920890.db2.gz ZICZHFXPPFIVTD-DTWYCDNDSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@@H](NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000285665280 565920893 /nfs/dbraw/zinc/92/08/93/565920893.db2.gz ZICZHFXPPFIVTD-DTWYCDNDSA-N 2 2 394.357 3.183 20 0 GGADLP C[NH+](C)CCCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000234247739 565933857 /nfs/dbraw/zinc/93/38/57/565933857.db2.gz UCYQUZHALCSLDK-UHFFFAOYSA-N 2 2 380.124 3.349 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC[N@@H+]1C ZINC000235415388 565936643 /nfs/dbraw/zinc/93/66/43/565936643.db2.gz DSOWRXLZDRLKQR-KOLCDFICSA-N 2 2 392.135 3.490 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c(O)c(Br)c2)CC[N@H+]1C ZINC000235415388 565936650 /nfs/dbraw/zinc/93/66/50/565936650.db2.gz DSOWRXLZDRLKQR-KOLCDFICSA-N 2 2 392.135 3.490 20 0 GGADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000236794929 565944882 /nfs/dbraw/zinc/94/48/82/565944882.db2.gz XGEWBPDIBNPNSB-SFHVURJKSA-N 2 2 395.341 3.171 20 0 GGADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000236794929 565944889 /nfs/dbraw/zinc/94/48/89/565944889.db2.gz XGEWBPDIBNPNSB-SFHVURJKSA-N 2 2 395.341 3.171 20 0 GGADLP CC(C)([NH3+])C(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000236784675 565945728 /nfs/dbraw/zinc/94/57/28/565945728.db2.gz DADJXYJJGAOWHV-UHFFFAOYSA-N 2 2 377.941 3.450 20 0 GGADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414779710 565960055 /nfs/dbraw/zinc/96/00/55/565960055.db2.gz AIGNHTATPYQKMU-UHFFFAOYSA-N 2 2 392.135 3.452 20 0 GGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360690982 565960868 /nfs/dbraw/zinc/96/08/68/565960868.db2.gz KZNJNBWTUPIIMG-JTDSTZFVSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360690982 565960871 /nfs/dbraw/zinc/96/08/71/565960871.db2.gz KZNJNBWTUPIIMG-JTDSTZFVSA-N 2 2 380.374 3.468 20 0 GGADLP C[NH2+]CC[NH2+]Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000414820760 565961940 /nfs/dbraw/zinc/96/19/40/565961940.db2.gz DECJGIQYMMMCOQ-UHFFFAOYSA-N 2 2 379.298 3.346 20 0 GGADLP C[C@@H]([NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000414844298 565963567 /nfs/dbraw/zinc/96/35/67/565963567.db2.gz CQPSDNRUIFKOJG-ZJUUUORDSA-N 2 2 377.124 3.084 20 0 GGADLP CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1Br ZINC000414840726 565964074 /nfs/dbraw/zinc/96/40/74/565964074.db2.gz HEAWQBARFOIBMP-NSHDSACASA-N 2 2 392.135 3.452 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000414896078 565965144 /nfs/dbraw/zinc/96/51/44/565965144.db2.gz ODIGASUGUNTLMW-GFCCVEGCSA-N 2 2 378.108 3.047 20 0 GGADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@H]([NH3+])C1CC1 ZINC000414895199 565965821 /nfs/dbraw/zinc/96/58/21/565965821.db2.gz MVTALRABTCUBTI-ZDUSSCGKSA-N 2 2 392.135 3.437 20 0 GGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1Br ZINC000237743089 565970653 /nfs/dbraw/zinc/97/06/53/565970653.db2.gz TUZJCNUPJOWTBN-LJQANCHMSA-N 2 2 389.337 3.266 20 0 GGADLP Cc1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1Br ZINC000237743089 565970658 /nfs/dbraw/zinc/97/06/58/565970658.db2.gz TUZJCNUPJOWTBN-LJQANCHMSA-N 2 2 389.337 3.266 20 0 GGADLP Brc1ccc(OCc2ccccc2)c(C[NH2+]C[C@H]2C[NH2+]CCO2)c1 ZINC000415098328 565973270 /nfs/dbraw/zinc/97/32/70/565973270.db2.gz VTEWDVYTPONGNN-GOSISDBHSA-N 2 2 391.309 3.106 20 0 GGADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4Cl)s3)CC2)CC1 ZINC000237890987 565973519 /nfs/dbraw/zinc/97/35/19/565973519.db2.gz OXULQQIQPZUUGK-UHFFFAOYSA-N 2 2 375.925 3.204 20 0 GGADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)ccc(Br)c3F)CC2)C1 ZINC000415118323 565974273 /nfs/dbraw/zinc/97/42/73/565974273.db2.gz CZVKTUCLXVUZQX-BLLLJJGKSA-N 2 2 389.284 3.446 20 0 GGADLP [NH3+][C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1c1cccc(F)c1 ZINC000415116061 565974909 /nfs/dbraw/zinc/97/49/09/565974909.db2.gz AYEHUEFQCNWHBW-DLBZAZTESA-N 2 2 389.272 3.163 20 0 GGADLP CCOc1cc(C[N@H+](C)CCC[NH2+]C)cc(Br)c1OC(F)F ZINC000415139377 565975783 /nfs/dbraw/zinc/97/57/83/565975783.db2.gz WQIDXTJULNUCKX-UHFFFAOYSA-N 2 2 381.261 3.491 20 0 GGADLP CCOc1cc(C[N@@H+](C)CCC[NH2+]C)cc(Br)c1OC(F)F ZINC000415139377 565975787 /nfs/dbraw/zinc/97/57/87/565975787.db2.gz WQIDXTJULNUCKX-UHFFFAOYSA-N 2 2 381.261 3.491 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130991 565976017 /nfs/dbraw/zinc/97/60/17/565976017.db2.gz RQJQDVUWNYUKOW-CMPLNLGQSA-N 2 2 393.272 3.476 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130991 565976022 /nfs/dbraw/zinc/97/60/22/565976022.db2.gz RQJQDVUWNYUKOW-CMPLNLGQSA-N 2 2 393.272 3.476 20 0 GGADLP C[NH2+]CCC[N@H+](C)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000415133069 565976243 /nfs/dbraw/zinc/97/62/43/565976243.db2.gz MGGOPOINYUSANK-UHFFFAOYSA-N 2 2 378.314 3.464 20 0 GGADLP C[NH2+]CCC[N@@H+](C)Cc1cc(Br)ccc1OCc1ccccn1 ZINC000415133069 565976246 /nfs/dbraw/zinc/97/62/46/565976246.db2.gz MGGOPOINYUSANK-UHFFFAOYSA-N 2 2 378.314 3.464 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(-c2cccc(Br)c2)o1)C[NH+]1CCCC1 ZINC000237965572 565976881 /nfs/dbraw/zinc/97/68/81/565976881.db2.gz RJPUWEYKMSEXLX-MRXNPFEDSA-N 2 2 379.298 3.255 20 0 GGADLP CC(C)(COc1ncccc1Br)[NH2+]Cc1cccc2[nH+]ccn21 ZINC000179430614 565980270 /nfs/dbraw/zinc/98/02/70/565980270.db2.gz TXRAZDODYPVDPF-UHFFFAOYSA-N 2 2 375.270 3.439 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179631510 565995181 /nfs/dbraw/zinc/99/51/81/565995181.db2.gz MZCZRFQKQOCFCL-HNNXBMFYSA-N 2 2 377.330 3.327 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179631510 565995186 /nfs/dbraw/zinc/99/51/86/565995186.db2.gz MZCZRFQKQOCFCL-HNNXBMFYSA-N 2 2 377.330 3.327 20 0 GGADLP C[C@@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000245590987 565997461 /nfs/dbraw/zinc/99/74/61/565997461.db2.gz KSGOMDDXHSQDDM-IUODEOHRSA-N 2 2 378.270 3.457 20 0 GGADLP C[C@@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000245590987 565997465 /nfs/dbraw/zinc/99/74/65/565997465.db2.gz KSGOMDDXHSQDDM-IUODEOHRSA-N 2 2 378.270 3.457 20 0 GGADLP C[N@@H+]1CC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245722641 566002707 /nfs/dbraw/zinc/00/27/07/566002707.db2.gz RMNDRNHIZOACLR-SJKOYZFVSA-N 2 2 381.904 3.422 20 0 GGADLP C[N@H+]1CC[C@H](C[NH2+]Cc2cc(C(N)=O)cs2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245722641 566002710 /nfs/dbraw/zinc/00/27/10/566002710.db2.gz RMNDRNHIZOACLR-SJKOYZFVSA-N 2 2 381.904 3.422 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000245738812 566004268 /nfs/dbraw/zinc/00/42/68/566004268.db2.gz FYUDONJBROKHMI-SUMWQHHRSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000245738812 566004273 /nfs/dbraw/zinc/00/42/73/566004273.db2.gz FYUDONJBROKHMI-SUMWQHHRSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000245738812 566004279 /nfs/dbraw/zinc/00/42/79/566004279.db2.gz FYUDONJBROKHMI-SUMWQHHRSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000245738812 566004280 /nfs/dbraw/zinc/00/42/80/566004280.db2.gz FYUDONJBROKHMI-SUMWQHHRSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ncc(Br)s1 ZINC000246468232 566029583 /nfs/dbraw/zinc/02/95/83/566029583.db2.gz QHHWIIIDSZSJIX-IACUBPJLSA-N 2 2 388.375 3.324 20 0 GGADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000246441442 566029946 /nfs/dbraw/zinc/02/99/46/566029946.db2.gz DFEUTLOUCABHDQ-KSSFIOAISA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000246441442 566029953 /nfs/dbraw/zinc/02/99/53/566029953.db2.gz DFEUTLOUCABHDQ-KSSFIOAISA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000246441442 566029957 /nfs/dbraw/zinc/02/99/57/566029957.db2.gz DFEUTLOUCABHDQ-KSSFIOAISA-N 2 2 392.341 3.336 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(Br)c3)C2)CC1 ZINC000180069278 566030286 /nfs/dbraw/zinc/03/02/86/566030286.db2.gz SQEWEQBYJIPNEP-OAHLLOKOSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)CC1 ZINC000180069278 566030290 /nfs/dbraw/zinc/03/02/90/566030290.db2.gz SQEWEQBYJIPNEP-OAHLLOKOSA-N 2 2 386.765 3.314 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCSc3ccc(Cl)cc3)C2)CC1 ZINC000364209861 566039663 /nfs/dbraw/zinc/03/96/63/566039663.db2.gz XVACJLAHQKAAQG-INIZCTEOSA-N 2 2 381.973 3.107 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCSc3ccc(Cl)cc3)C2)CC1 ZINC000364209861 566039668 /nfs/dbraw/zinc/03/96/68/566039668.db2.gz XVACJLAHQKAAQG-INIZCTEOSA-N 2 2 381.973 3.107 20 0 GGADLP O=C(CCc1[nH]cc[nH+]1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000287804069 566041858 /nfs/dbraw/zinc/04/18/58/566041858.db2.gz LKANBFAPKSGDQL-UHFFFAOYSA-N 2 2 381.307 3.430 20 0 GGADLP Brc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000180200536 566043654 /nfs/dbraw/zinc/04/36/54/566043654.db2.gz NNSQNCFSZOAIAG-OAHLLOKOSA-N 2 2 390.325 3.151 20 0 GGADLP Brc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCOCC3)C2)c2ncccc12 ZINC000180200536 566043658 /nfs/dbraw/zinc/04/36/58/566043658.db2.gz NNSQNCFSZOAIAG-OAHLLOKOSA-N 2 2 390.325 3.151 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C[N@@H+]1C1CC1 ZINC000246907266 566044999 /nfs/dbraw/zinc/04/49/99/566044999.db2.gz GDCJCINIAKHCKV-INMHGKMJSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C[N@H+]1C1CC1 ZINC000246907266 566045005 /nfs/dbraw/zinc/04/50/05/566045005.db2.gz GDCJCINIAKHCKV-INMHGKMJSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C[N@@H+]1C1CC1 ZINC000246907253 566045775 /nfs/dbraw/zinc/04/57/75/566045775.db2.gz GDCJCINIAKHCKV-BFYDXBDKSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)C[N@H+]1C1CC1 ZINC000246907253 566045778 /nfs/dbraw/zinc/04/57/78/566045778.db2.gz GDCJCINIAKHCKV-BFYDXBDKSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000246944318 566046642 /nfs/dbraw/zinc/04/66/42/566046642.db2.gz HAKFAFODWFRRNW-DVOMOZLQSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000246944318 566046652 /nfs/dbraw/zinc/04/66/52/566046652.db2.gz HAKFAFODWFRRNW-DVOMOZLQSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246962554 566048837 /nfs/dbraw/zinc/04/88/37/566048837.db2.gz OKRQIYZCAPVPFG-WBVHZDCISA-N 2 2 396.373 3.070 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246962554 566048840 /nfs/dbraw/zinc/04/88/40/566048840.db2.gz OKRQIYZCAPVPFG-WBVHZDCISA-N 2 2 396.373 3.070 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246962554 566048847 /nfs/dbraw/zinc/04/88/47/566048847.db2.gz OKRQIYZCAPVPFG-WBVHZDCISA-N 2 2 396.373 3.070 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246962554 566048852 /nfs/dbraw/zinc/04/88/52/566048852.db2.gz OKRQIYZCAPVPFG-WBVHZDCISA-N 2 2 396.373 3.070 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1O ZINC000364431917 566051192 /nfs/dbraw/zinc/05/11/92/566051192.db2.gz TXLSWQSQSBEENE-CYBMUJFWSA-N 2 2 394.313 3.352 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1O ZINC000364431917 566051197 /nfs/dbraw/zinc/05/11/97/566051197.db2.gz TXLSWQSQSBEENE-CYBMUJFWSA-N 2 2 394.313 3.352 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000247180887 566054888 /nfs/dbraw/zinc/05/48/88/566054888.db2.gz TVDZOJSVQBMLEW-DVOMOZLQSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000247180887 566054892 /nfs/dbraw/zinc/05/48/92/566054892.db2.gz TVDZOJSVQBMLEW-DVOMOZLQSA-N 2 2 380.330 3.381 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@H]21 ZINC000247958174 566069274 /nfs/dbraw/zinc/06/92/74/566069274.db2.gz FVXRUFZHZZBLOJ-GOEBONIOSA-N 2 2 391.313 3.415 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@H]21 ZINC000247958174 566069282 /nfs/dbraw/zinc/06/92/82/566069282.db2.gz FVXRUFZHZZBLOJ-GOEBONIOSA-N 2 2 391.313 3.415 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@H]21 ZINC000247958174 566069287 /nfs/dbraw/zinc/06/92/87/566069287.db2.gz FVXRUFZHZZBLOJ-GOEBONIOSA-N 2 2 391.313 3.415 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@H]21 ZINC000247958174 566069293 /nfs/dbraw/zinc/06/92/93/566069293.db2.gz FVXRUFZHZZBLOJ-GOEBONIOSA-N 2 2 391.313 3.415 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Br)c1OC ZINC000248138623 566073585 /nfs/dbraw/zinc/07/35/85/566073585.db2.gz PJQCCHWKRIUWLY-DZGCQCFKSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Br)c1OC ZINC000248138623 566073589 /nfs/dbraw/zinc/07/35/89/566073589.db2.gz PJQCCHWKRIUWLY-DZGCQCFKSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Br)c1OC ZINC000248138623 566073592 /nfs/dbraw/zinc/07/35/92/566073592.db2.gz PJQCCHWKRIUWLY-DZGCQCFKSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)c1OC ZINC000248138623 566073596 /nfs/dbraw/zinc/07/35/96/566073596.db2.gz PJQCCHWKRIUWLY-DZGCQCFKSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000248553683 566081642 /nfs/dbraw/zinc/08/16/42/566081642.db2.gz JQJBOKKKAUYJKB-OAUYIBNBSA-N 2 2 382.277 3.401 20 0 GGADLP C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1n1cc[nH+]c1 ZINC000248553683 566081648 /nfs/dbraw/zinc/08/16/48/566081648.db2.gz JQJBOKKKAUYJKB-OAUYIBNBSA-N 2 2 382.277 3.401 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249378909 566100024 /nfs/dbraw/zinc/10/00/24/566100024.db2.gz USLPVHRDZVPKMP-QAPCUYQASA-N 2 2 394.357 3.218 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249378909 566100030 /nfs/dbraw/zinc/10/00/30/566100030.db2.gz USLPVHRDZVPKMP-QAPCUYQASA-N 2 2 394.357 3.218 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249378909 566100037 /nfs/dbraw/zinc/10/00/37/566100037.db2.gz USLPVHRDZVPKMP-QAPCUYQASA-N 2 2 394.357 3.218 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249378909 566100044 /nfs/dbraw/zinc/10/00/44/566100044.db2.gz USLPVHRDZVPKMP-QAPCUYQASA-N 2 2 394.357 3.218 20 0 GGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000289130808 566108174 /nfs/dbraw/zinc/10/81/74/566108174.db2.gz DXFLQIWSWAXVMC-KBXCAEBGSA-N 2 2 391.357 3.143 20 0 GGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000289130808 566108178 /nfs/dbraw/zinc/10/81/78/566108178.db2.gz DXFLQIWSWAXVMC-KBXCAEBGSA-N 2 2 391.357 3.143 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000181069889 566111228 /nfs/dbraw/zinc/11/12/28/566111228.db2.gz IYWDKBDTDHFAKG-UHFFFAOYSA-N 2 2 390.285 3.142 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(Cc2cccc(Br)c2)no1 ZINC000181069889 566111235 /nfs/dbraw/zinc/11/12/35/566111235.db2.gz IYWDKBDTDHFAKG-UHFFFAOYSA-N 2 2 390.285 3.142 20 0 GGADLP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]Cc3ncc(C4OCCO4)s3)C2)c1 ZINC000289186599 566111377 /nfs/dbraw/zinc/11/13/77/566111377.db2.gz GNENSKUKFJFHQD-AWEZNQCLSA-N 2 2 379.551 3.252 20 0 GGADLP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]Cc3ncc(C4OCCO4)s3)C2)c1 ZINC000289186599 566111382 /nfs/dbraw/zinc/11/13/82/566111382.db2.gz GNENSKUKFJFHQD-AWEZNQCLSA-N 2 2 379.551 3.252 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000365648730 566112140 /nfs/dbraw/zinc/11/21/40/566112140.db2.gz KVAZGFIKNMXKQJ-AWEZNQCLSA-N 2 2 391.313 3.391 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000365648730 566112145 /nfs/dbraw/zinc/11/21/45/566112145.db2.gz KVAZGFIKNMXKQJ-AWEZNQCLSA-N 2 2 391.313 3.391 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365647545 566112245 /nfs/dbraw/zinc/11/22/45/566112245.db2.gz DGAOMNCTVWGEAN-AWEZNQCLSA-N 2 2 391.313 3.309 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH+]ccn2C)C1 ZINC000365647545 566112249 /nfs/dbraw/zinc/11/22/49/566112249.db2.gz DGAOMNCTVWGEAN-AWEZNQCLSA-N 2 2 391.313 3.309 20 0 GGADLP CN1CC[NH+](CC2CC[NH+](Cc3csc(-c4cccs4)n3)CC2)CC1 ZINC000289480282 566124928 /nfs/dbraw/zinc/12/49/28/566124928.db2.gz QIXPAEXYTVBIJH-UHFFFAOYSA-N 2 2 376.595 3.331 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ncc(Br)s1 ZINC000181416331 566139783 /nfs/dbraw/zinc/13/97/83/566139783.db2.gz QHHWIIIDSZSJIX-YUTCNCBUSA-N 2 2 388.375 3.324 20 0 GGADLP C[NH2+]CC1CC[NH+](Cc2c(F)ccc(I)c2F)CC1 ZINC000261939399 566141651 /nfs/dbraw/zinc/14/16/51/566141651.db2.gz MLSCVRHSMFRSQJ-UHFFFAOYSA-N 2 2 380.220 3.001 20 0 GGADLP COCCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000366246169 566142638 /nfs/dbraw/zinc/14/26/38/566142638.db2.gz VYBDORREBVDFKH-QRVBRYPASA-N 2 2 397.357 3.370 20 0 GGADLP COCCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000366246169 566142643 /nfs/dbraw/zinc/14/26/43/566142643.db2.gz VYBDORREBVDFKH-QRVBRYPASA-N 2 2 397.357 3.370 20 0 GGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(F)cc2I)CC1 ZINC000417848646 566177283 /nfs/dbraw/zinc/17/72/83/566177283.db2.gz BNSDHKBCLYDVFC-UHFFFAOYSA-N 2 2 376.257 3.393 20 0 GGADLP Fc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(I)c1 ZINC000417869577 566178533 /nfs/dbraw/zinc/17/85/33/566178533.db2.gz HECHNJKGBAJSRM-UHFFFAOYSA-N 2 2 388.268 3.394 20 0 GGADLP Ic1cnc(C[NH2+]Cc2ccccc2-n2cc[nH+]c2)s1 ZINC000367205972 566190502 /nfs/dbraw/zinc/19/05/02/566190502.db2.gz NABFQTCPEOVMHC-UHFFFAOYSA-N 2 2 396.257 3.223 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ncc(Br)s1 ZINC000182263638 566193018 /nfs/dbraw/zinc/19/30/18/566193018.db2.gz IEMAHDAJULPAIE-WFASDCNBSA-N 2 2 396.354 3.323 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ncc(Br)s1 ZINC000182263638 566193022 /nfs/dbraw/zinc/19/30/22/566193022.db2.gz IEMAHDAJULPAIE-WFASDCNBSA-N 2 2 396.354 3.323 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ncc(Br)s1 ZINC000182263660 566193196 /nfs/dbraw/zinc/19/31/96/566193196.db2.gz IEMAHDAJULPAIE-DOMZBBRYSA-N 2 2 396.354 3.323 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ncc(Br)s1 ZINC000182263660 566193202 /nfs/dbraw/zinc/19/32/02/566193202.db2.gz IEMAHDAJULPAIE-DOMZBBRYSA-N 2 2 396.354 3.323 20 0 GGADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccc(Br)c1 ZINC000367245239 566193381 /nfs/dbraw/zinc/19/33/81/566193381.db2.gz FHBBGJMSDYSETH-LJQANCHMSA-N 2 2 390.325 3.132 20 0 GGADLP Cc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)s1 ZINC000182738693 566221799 /nfs/dbraw/zinc/22/17/99/566221799.db2.gz VLNLQLLSGIPLAX-HNNXBMFYSA-N 2 2 377.579 3.421 20 0 GGADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182798767 566225399 /nfs/dbraw/zinc/22/53/99/566225399.db2.gz BBOJBMPYFWODQV-MRXNPFEDSA-N 2 2 377.330 3.415 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ncc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368021629 566227829 /nfs/dbraw/zinc/22/78/29/566227829.db2.gz ZSXFTPFWKRNFBD-DYVFJYSZSA-N 2 2 379.551 3.423 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2ncc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368021629 566227835 /nfs/dbraw/zinc/22/78/35/566227835.db2.gz ZSXFTPFWKRNFBD-DYVFJYSZSA-N 2 2 379.551 3.423 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000368135271 566231489 /nfs/dbraw/zinc/23/14/89/566231489.db2.gz PETLLPXFZQHZSO-GFCCVEGCSA-N 2 2 380.286 3.189 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OC ZINC000368135271 566231492 /nfs/dbraw/zinc/23/14/92/566231492.db2.gz PETLLPXFZQHZSO-GFCCVEGCSA-N 2 2 380.286 3.189 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265536274 566238265 /nfs/dbraw/zinc/23/82/65/566238265.db2.gz VZUKFHQCAKGZQJ-GFCCVEGCSA-N 2 2 377.286 3.379 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(Br)c1 ZINC000265510094 566238323 /nfs/dbraw/zinc/23/83/23/566238323.db2.gz QZNJFEOUHUZIIH-UHFFFAOYSA-N 2 2 377.286 3.299 20 0 GGADLP COc1c(Br)cccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000369008618 566249098 /nfs/dbraw/zinc/24/90/98/566249098.db2.gz JRKGRAXRTBRHNS-BHYGNILZSA-N 2 2 383.330 3.141 20 0 GGADLP COc1c(Br)cccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000369008618 566249100 /nfs/dbraw/zinc/24/91/00/566249100.db2.gz JRKGRAXRTBRHNS-BHYGNILZSA-N 2 2 383.330 3.141 20 0 GGADLP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000668739054 566263305 /nfs/dbraw/zinc/26/33/05/566263305.db2.gz ISVGCPAIGANAQC-QGZVFWFLSA-N 2 2 377.941 3.495 20 0 GGADLP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cnc(-c4ccc(Cl)cc4)s3)CC2)C1 ZINC000668739054 566263310 /nfs/dbraw/zinc/26/33/10/566263310.db2.gz ISVGCPAIGANAQC-QGZVFWFLSA-N 2 2 377.941 3.495 20 0 GGADLP C[NH+](C)CC1CC[NH+](Cc2ncc(Br)cc2Br)CC1 ZINC000481911276 566263479 /nfs/dbraw/zinc/26/34/79/566263479.db2.gz QAOWSTOBAKAUIB-UHFFFAOYSA-N 2 2 391.151 3.380 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000534955483 566266734 /nfs/dbraw/zinc/26/67/34/566266734.db2.gz KLWIFOIHUDBNOT-UHFFFAOYSA-N 2 2 381.307 3.346 20 0 GGADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000445221441 566272927 /nfs/dbraw/zinc/27/29/27/566272927.db2.gz INEBLHPQFMTONZ-CYBMUJFWSA-N 2 2 387.355 3.380 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420338322 566273331 /nfs/dbraw/zinc/27/33/31/566273331.db2.gz KQTFJTKGUVZNET-CJNGLKHVSA-N 2 2 380.330 3.240 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420338320 566274723 /nfs/dbraw/zinc/27/47/23/566274723.db2.gz KQTFJTKGUVZNET-BBRMVZONSA-N 2 2 380.330 3.240 20 0 GGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000482025970 566278037 /nfs/dbraw/zinc/27/80/37/566278037.db2.gz LSWYXPDGORHSJF-ROUUACIJSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000482025970 566278046 /nfs/dbraw/zinc/27/80/46/566278046.db2.gz LSWYXPDGORHSJF-ROUUACIJSA-N 2 2 396.373 3.433 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](Cn3cccn3)C(C)C)[nH+]c12 ZINC000556244169 566278380 /nfs/dbraw/zinc/27/83/80/566278380.db2.gz YQFGDNPCRPHDJH-KRWDZBQOSA-N 2 2 390.329 3.459 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482043969 566279181 /nfs/dbraw/zinc/27/91/81/566279181.db2.gz QCTRNGQQZBXDLQ-PBHICJAKSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482043969 566279188 /nfs/dbraw/zinc/27/91/88/566279188.db2.gz QCTRNGQQZBXDLQ-PBHICJAKSA-N 2 2 382.346 3.042 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625141013 566281186 /nfs/dbraw/zinc/28/11/86/566281186.db2.gz KPSJGGNBDJIDFG-WBVHZDCISA-N 2 2 389.297 3.236 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000625141013 566281193 /nfs/dbraw/zinc/28/11/93/566281193.db2.gz KPSJGGNBDJIDFG-WBVHZDCISA-N 2 2 389.297 3.236 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc(Br)cc3cccnc32)CC1 ZINC000556330720 566285074 /nfs/dbraw/zinc/28/50/74/566285074.db2.gz PUKGLSCNPWUUBI-UHFFFAOYSA-N 2 2 386.297 3.053 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000482175359 566290244 /nfs/dbraw/zinc/29/02/44/566290244.db2.gz JLIYWWPGIWQUKM-UHFFFAOYSA-N 2 2 386.367 3.410 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCc1cc(Cl)cc(Cl)c1 ZINC000482175359 566290253 /nfs/dbraw/zinc/29/02/53/566290253.db2.gz JLIYWWPGIWQUKM-UHFFFAOYSA-N 2 2 386.367 3.410 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221491 566290967 /nfs/dbraw/zinc/29/09/67/566290967.db2.gz AYIXLZJVFAAOGN-FHLIZLRMSA-N 2 2 392.341 3.119 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221491 566290972 /nfs/dbraw/zinc/29/09/72/566290972.db2.gz AYIXLZJVFAAOGN-FHLIZLRMSA-N 2 2 392.341 3.119 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221491 566290975 /nfs/dbraw/zinc/29/09/75/566290975.db2.gz AYIXLZJVFAAOGN-FHLIZLRMSA-N 2 2 392.341 3.119 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221491 566290981 /nfs/dbraw/zinc/29/09/81/566290981.db2.gz AYIXLZJVFAAOGN-FHLIZLRMSA-N 2 2 392.341 3.119 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625255966 566299344 /nfs/dbraw/zinc/29/93/44/566299344.db2.gz WGUAADRNTIZWOP-CJNGLKHVSA-N 2 2 389.297 3.305 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625255966 566299350 /nfs/dbraw/zinc/29/93/50/566299350.db2.gz WGUAADRNTIZWOP-CJNGLKHVSA-N 2 2 389.297 3.305 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625255973 566299685 /nfs/dbraw/zinc/29/96/85/566299685.db2.gz WGUAADRNTIZWOP-XJKSGUPXSA-N 2 2 389.297 3.305 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625255973 566299690 /nfs/dbraw/zinc/29/96/90/566299690.db2.gz WGUAADRNTIZWOP-XJKSGUPXSA-N 2 2 389.297 3.305 20 0 GGADLP C[N@@H+]1CCCC12CC[NH+]([C@@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000625288571 566304123 /nfs/dbraw/zinc/30/41/23/566304123.db2.gz OZMTWJXXAJSNOL-QGZVFWFLSA-N 2 2 392.341 3.263 20 0 GGADLP C[N@H+]1CCCC12CC[NH+]([C@@H]1CCc3cc(Br)ccc3NC1=O)CC2 ZINC000625288571 566304129 /nfs/dbraw/zinc/30/41/29/566304129.db2.gz OZMTWJXXAJSNOL-QGZVFWFLSA-N 2 2 392.341 3.263 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1Br ZINC000482545213 566316435 /nfs/dbraw/zinc/31/64/35/566316435.db2.gz XUIBZAMJRRTALR-RHSMWYFYSA-N 2 2 382.346 3.077 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1Br ZINC000482545213 566316441 /nfs/dbraw/zinc/31/64/41/566316441.db2.gz XUIBZAMJRRTALR-RHSMWYFYSA-N 2 2 382.346 3.077 20 0 GGADLP CC(C)(CO)[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000669652420 566317184 /nfs/dbraw/zinc/31/71/84/566317184.db2.gz MCIKKACNQHNQKL-UHFFFAOYSA-N 2 2 382.277 3.029 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000482566074 566318203 /nfs/dbraw/zinc/31/82/03/566318203.db2.gz KUSJOBDDQDDAAX-NWDGAFQWSA-N 2 2 376.303 3.371 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000482566074 566318209 /nfs/dbraw/zinc/31/82/09/566318209.db2.gz KUSJOBDDQDDAAX-NWDGAFQWSA-N 2 2 376.303 3.371 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000482566075 566318263 /nfs/dbraw/zinc/31/82/63/566318263.db2.gz KUSJOBDDQDDAAX-VXGBXAGGSA-N 2 2 376.303 3.371 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(F)c(Cl)cc1Cl ZINC000482566075 566318267 /nfs/dbraw/zinc/31/82/67/566318267.db2.gz KUSJOBDDQDDAAX-VXGBXAGGSA-N 2 2 376.303 3.371 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000535668252 566318600 /nfs/dbraw/zinc/31/86/00/566318600.db2.gz SXABHRGADROVNS-UHFFFAOYSA-N 2 2 381.307 3.346 20 0 GGADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000482621760 566322710 /nfs/dbraw/zinc/32/27/10/566322710.db2.gz UOSYWNNEQPKUPZ-ZENOOKHLSA-N 2 2 388.339 3.079 20 0 GGADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000482621760 566322718 /nfs/dbraw/zinc/32/27/18/566322718.db2.gz UOSYWNNEQPKUPZ-ZENOOKHLSA-N 2 2 388.339 3.079 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482621759 566322855 /nfs/dbraw/zinc/32/28/55/566322855.db2.gz UOSYWNNEQPKUPZ-XEZPLFJOSA-N 2 2 388.339 3.079 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482621759 566322860 /nfs/dbraw/zinc/32/28/60/566322860.db2.gz UOSYWNNEQPKUPZ-XEZPLFJOSA-N 2 2 388.339 3.079 20 0 GGADLP COc1cc(Br)ccc1CCC[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625546640 566333856 /nfs/dbraw/zinc/33/38/56/566333856.db2.gz DMJGQYXVXMRWDA-UHFFFAOYSA-N 2 2 397.357 3.187 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3Br)CC2)CC1 ZINC000421014967 566336045 /nfs/dbraw/zinc/33/60/45/566336045.db2.gz SKNPOIKNJVNUFC-UHFFFAOYSA-N 2 2 380.374 3.441 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3Br)CC2)CC1 ZINC000421014967 566336049 /nfs/dbraw/zinc/33/60/49/566336049.db2.gz SKNPOIKNJVNUFC-UHFFFAOYSA-N 2 2 380.374 3.441 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccccc3Br)CC2)CC1 ZINC000421014967 566336054 /nfs/dbraw/zinc/33/60/54/566336054.db2.gz SKNPOIKNJVNUFC-UHFFFAOYSA-N 2 2 380.374 3.441 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccccc3Br)CC2)CC1 ZINC000421014967 566336059 /nfs/dbraw/zinc/33/60/59/566336059.db2.gz SKNPOIKNJVNUFC-UHFFFAOYSA-N 2 2 380.374 3.441 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482884134 566340693 /nfs/dbraw/zinc/34/06/93/566340693.db2.gz JPLQTEQEYFLJAY-FUHWJXTLSA-N 2 2 397.357 3.345 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)c[nH+]c12 ZINC000556934917 566346640 /nfs/dbraw/zinc/34/66/40/566346640.db2.gz XJXUNAYBANRKHD-SFHVURJKSA-N 2 2 377.330 3.323 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)c[nH+]c12 ZINC000556934917 566346643 /nfs/dbraw/zinc/34/66/43/566346643.db2.gz XJXUNAYBANRKHD-SFHVURJKSA-N 2 2 377.330 3.323 20 0 GGADLP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699500 566353029 /nfs/dbraw/zinc/35/30/29/566353029.db2.gz FOHBDBVKWSOVHD-RDJZCZTQSA-N 2 2 385.371 3.071 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699500 566353033 /nfs/dbraw/zinc/35/30/33/566353033.db2.gz FOHBDBVKWSOVHD-RDJZCZTQSA-N 2 2 385.371 3.071 20 0 GGADLP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699500 566353040 /nfs/dbraw/zinc/35/30/40/566353040.db2.gz FOHBDBVKWSOVHD-RDJZCZTQSA-N 2 2 385.371 3.071 20 0 GGADLP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1)C1CC1 ZINC000625699500 566353043 /nfs/dbraw/zinc/35/30/43/566353043.db2.gz FOHBDBVKWSOVHD-RDJZCZTQSA-N 2 2 385.371 3.071 20 0 GGADLP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000576590175 566360296 /nfs/dbraw/zinc/36/02/96/566360296.db2.gz RUJSMEHIYPHCMD-MEDUHNTESA-N 2 2 384.343 3.194 20 0 GGADLP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000576590173 566360494 /nfs/dbraw/zinc/36/04/94/566360494.db2.gz RUJSMEHIYPHCMD-BDJLRTHQSA-N 2 2 384.343 3.194 20 0 GGADLP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](C)c1nc(-c2ccc(Br)cc2)cs1 ZINC000576590176 566361195 /nfs/dbraw/zinc/36/11/95/566361195.db2.gz RUJSMEHIYPHCMD-ZBEGNZNMSA-N 2 2 384.343 3.194 20 0 GGADLP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)c2ccccc21 ZINC000576626566 566364237 /nfs/dbraw/zinc/36/42/37/566364237.db2.gz MKPHNWXQXHNVEI-FGTMMUONSA-N 2 2 386.293 3.289 20 0 GGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446822893 566367465 /nfs/dbraw/zinc/36/74/65/566367465.db2.gz ZBIATQTUUPHBOI-YOEHRIQHSA-N 2 2 386.765 3.389 20 0 GGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446822893 566367471 /nfs/dbraw/zinc/36/74/71/566367471.db2.gz ZBIATQTUUPHBOI-YOEHRIQHSA-N 2 2 386.765 3.389 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(C)c2Br)CC1 ZINC000462914887 566367589 /nfs/dbraw/zinc/36/75/89/566367589.db2.gz RMHFSQFYWWVGSW-UHFFFAOYSA-N 2 2 383.330 3.265 20 0 GGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446822891 566367828 /nfs/dbraw/zinc/36/78/28/566367828.db2.gz ZBIATQTUUPHBOI-RHSMWYFYSA-N 2 2 386.765 3.389 20 0 GGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@@H](c1ccc(Br)cc1Cl)C1CC1 ZINC000446822891 566367833 /nfs/dbraw/zinc/36/78/33/566367833.db2.gz ZBIATQTUUPHBOI-RHSMWYFYSA-N 2 2 386.765 3.389 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(O)ccc3Br)CC2)CC1 ZINC000421371360 566368869 /nfs/dbraw/zinc/36/88/69/566368869.db2.gz JRLWROAWYWXPKI-UHFFFAOYSA-N 2 2 396.373 3.147 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(O)ccc3Br)CC2)CC1 ZINC000421371360 566368870 /nfs/dbraw/zinc/36/88/70/566368870.db2.gz JRLWROAWYWXPKI-UHFFFAOYSA-N 2 2 396.373 3.147 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(O)ccc3Br)CC2)CC1 ZINC000421371360 566368871 /nfs/dbraw/zinc/36/88/71/566368871.db2.gz JRLWROAWYWXPKI-UHFFFAOYSA-N 2 2 396.373 3.147 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(O)ccc3Br)CC2)CC1 ZINC000421371360 566368872 /nfs/dbraw/zinc/36/88/72/566368872.db2.gz JRLWROAWYWXPKI-UHFFFAOYSA-N 2 2 396.373 3.147 20 0 GGADLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)[C@@H](C)C1 ZINC000462942061 566370289 /nfs/dbraw/zinc/37/02/89/566370289.db2.gz SLBDKFGXPKXGQS-ZQIUZPCESA-N 2 2 385.346 3.201 20 0 GGADLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)[C@@H](C)C1 ZINC000462942061 566370296 /nfs/dbraw/zinc/37/02/96/566370296.db2.gz SLBDKFGXPKXGQS-ZQIUZPCESA-N 2 2 385.346 3.201 20 0 GGADLP C[NH+](C)Cc1ccsc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000446956027 566372807 /nfs/dbraw/zinc/37/28/07/566372807.db2.gz FXMWWXHUORAXQR-UHFFFAOYSA-N 2 2 393.310 3.150 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000447066327 566382646 /nfs/dbraw/zinc/38/26/46/566382646.db2.gz DWYSJVKMMRTFJG-QGZVFWFLSA-N 2 2 380.330 3.018 20 0 GGADLP Cc1cccn2c(C[NH2+][C@H]3CCN(c4cccc(Br)c4)C3=O)c[nH+]c12 ZINC000447070349 566383268 /nfs/dbraw/zinc/38/32/68/566383268.db2.gz ZDDFQVHBFUBVTQ-KRWDZBQOSA-N 2 2 399.292 3.300 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+]([C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000536733229 566398055 /nfs/dbraw/zinc/39/80/55/566398055.db2.gz WRPIDMYTBHTQHM-KRWDZBQOSA-N 2 2 375.314 3.382 20 0 GGADLP C[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1OCCCO ZINC000463367435 566403656 /nfs/dbraw/zinc/40/36/56/566403656.db2.gz GPBAXJWUZXVQGT-AWEZNQCLSA-N 2 2 382.302 3.148 20 0 GGADLP CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477605 566408122 /nfs/dbraw/zinc/40/81/22/566408122.db2.gz KBGOZJVWZKTXMT-QGZVFWFLSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477605 566408127 /nfs/dbraw/zinc/40/81/27/566408127.db2.gz KBGOZJVWZKTXMT-QGZVFWFLSA-N 2 2 384.351 3.163 20 0 GGADLP [NH3+]CC1(CC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCCCC1 ZINC000463479049 566413885 /nfs/dbraw/zinc/41/38/85/566413885.db2.gz PHVVVJHHHGMTOZ-UHFFFAOYSA-N 2 2 379.302 3.012 20 0 GGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566704 566415730 /nfs/dbraw/zinc/41/57/30/566415730.db2.gz VTQIEHZMPYPOLR-YGRLFVJLSA-N 2 2 378.685 3.374 20 0 GGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566704 566415733 /nfs/dbraw/zinc/41/57/33/566415733.db2.gz VTQIEHZMPYPOLR-YGRLFVJLSA-N 2 2 378.685 3.374 20 0 GGADLP COc1ncccc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510874502 566416942 /nfs/dbraw/zinc/41/69/42/566416942.db2.gz LQPTWAXCRMFKTJ-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP COc1ncccc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510874502 566416948 /nfs/dbraw/zinc/41/69/48/566416948.db2.gz LQPTWAXCRMFKTJ-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP CCn1nccc1CN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000577247268 566417399 /nfs/dbraw/zinc/41/73/99/566417399.db2.gz FHOYLTSJPSFLMF-UHFFFAOYSA-N 2 2 378.274 3.157 20 0 GGADLP CCn1nccc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000577247268 566417406 /nfs/dbraw/zinc/41/74/06/566417406.db2.gz FHOYLTSJPSFLMF-UHFFFAOYSA-N 2 2 378.274 3.157 20 0 GGADLP CCn1nccc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000577247268 566417411 /nfs/dbraw/zinc/41/74/11/566417411.db2.gz FHOYLTSJPSFLMF-UHFFFAOYSA-N 2 2 378.274 3.157 20 0 GGADLP Brc1ccc(C[N@H+](CCO[C@@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510938988 566421209 /nfs/dbraw/zinc/42/12/09/566421209.db2.gz XKIXUUBTOWMILI-QGZVFWFLSA-N 2 2 398.301 3.284 20 0 GGADLP Brc1ccc(C[N@@H+](CCO[C@@H]2CCCCO2)CCn2cc[nH+]c2)o1 ZINC000510938988 566421213 /nfs/dbraw/zinc/42/12/13/566421213.db2.gz XKIXUUBTOWMILI-QGZVFWFLSA-N 2 2 398.301 3.284 20 0 GGADLP Brc1ccc(CN(CCn2cc[nH+]c2)CC[NH+]2CCCCC2)o1 ZINC000510950039 566422227 /nfs/dbraw/zinc/42/22/27/566422227.db2.gz ICRXYXZPKBIHNY-UHFFFAOYSA-N 2 2 381.318 3.227 20 0 GGADLP Fc1cncc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510968748 566425155 /nfs/dbraw/zinc/42/51/55/566425155.db2.gz OJRFKAZOLXKOBO-UHFFFAOYSA-N 2 2 379.233 3.475 20 0 GGADLP Fc1cncc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c1 ZINC000510968748 566425172 /nfs/dbraw/zinc/42/51/72/566425172.db2.gz OJRFKAZOLXKOBO-UHFFFAOYSA-N 2 2 379.233 3.475 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 ZINC000422022634 566426867 /nfs/dbraw/zinc/42/68/67/566426867.db2.gz PCAVBKAHNWOGOE-UHFFFAOYSA-N 2 2 385.339 3.021 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(Cl)cncc3Cl)CC2)CC1 ZINC000422022634 566426876 /nfs/dbraw/zinc/42/68/76/566426876.db2.gz PCAVBKAHNWOGOE-UHFFFAOYSA-N 2 2 385.339 3.021 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000602203445 566453032 /nfs/dbraw/zinc/45/30/32/566453032.db2.gz OJMUDZRIHFVKFF-MRXNPFEDSA-N 2 2 384.351 3.211 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3ccc(Cl)cc3Cl)C2)CC1 ZINC000602203445 566453039 /nfs/dbraw/zinc/45/30/39/566453039.db2.gz OJMUDZRIHFVKFF-MRXNPFEDSA-N 2 2 384.351 3.211 20 0 GGADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000602193197 566453364 /nfs/dbraw/zinc/45/33/64/566453364.db2.gz BJCVJGMWYUYPCK-KBPBESRZSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000602193197 566453374 /nfs/dbraw/zinc/45/33/74/566453374.db2.gz BJCVJGMWYUYPCK-KBPBESRZSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000602193203 566454065 /nfs/dbraw/zinc/45/40/65/566454065.db2.gz BJCVJGMWYUYPCK-ZIAGYGMSSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000602193203 566454069 /nfs/dbraw/zinc/45/40/69/566454069.db2.gz BJCVJGMWYUYPCK-ZIAGYGMSSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C[C@H]1C[NH3+] ZINC000422635299 566459675 /nfs/dbraw/zinc/45/96/75/566459675.db2.gz LHSVLQRANQIZCG-GMTAPVOTSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C[C@H]1C[NH3+] ZINC000422635299 566459683 /nfs/dbraw/zinc/45/96/83/566459683.db2.gz LHSVLQRANQIZCG-GMTAPVOTSA-N 2 2 385.331 3.366 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@H]21 ZINC000537696705 566464311 /nfs/dbraw/zinc/46/43/11/566464311.db2.gz JXWNHPBPSLIMOL-CZUORRHYSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@H]21 ZINC000537696705 566464317 /nfs/dbraw/zinc/46/43/17/566464317.db2.gz JXWNHPBPSLIMOL-CZUORRHYSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@H]21 ZINC000537696705 566464323 /nfs/dbraw/zinc/46/43/23/566464323.db2.gz JXWNHPBPSLIMOL-CZUORRHYSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4cccc(Cl)c4Cl)nn3)CC[C@H]21 ZINC000537696705 566464329 /nfs/dbraw/zinc/46/43/29/566464329.db2.gz JXWNHPBPSLIMOL-CZUORRHYSA-N 2 2 380.323 3.490 20 0 GGADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422876455 566465386 /nfs/dbraw/zinc/46/53/86/566465386.db2.gz FXQRTHOJFGUJSD-GDBMZVCRSA-N 2 2 387.351 3.398 20 0 GGADLP CC(C)[N@@H+]1CCc2nc(CNc3[nH+]c4c(cccc4Cl)n3C)sc2C1 ZINC000464354343 566467959 /nfs/dbraw/zinc/46/79/59/566467959.db2.gz UOYUJDSBQNKRSR-UHFFFAOYSA-N 2 2 375.929 3.484 20 0 GGADLP CC(C)[N@H+]1CCc2nc(CNc3[nH+]c4c(cccc4Cl)n3C)sc2C1 ZINC000464354343 566467964 /nfs/dbraw/zinc/46/79/64/566467964.db2.gz UOYUJDSBQNKRSR-UHFFFAOYSA-N 2 2 375.929 3.484 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+]1CCSCC1 ZINC000650680067 566470044 /nfs/dbraw/zinc/47/00/44/566470044.db2.gz MVHSPXHBBQUNAB-INIZCTEOSA-N 2 2 379.595 3.250 20 0 GGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423038523 566470422 /nfs/dbraw/zinc/47/04/22/566470422.db2.gz YWPVMPFFJAHHGK-KUHUBIRLSA-N 2 2 386.367 3.314 20 0 GGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1Br ZINC000423049919 566471193 /nfs/dbraw/zinc/47/11/93/566471193.db2.gz KIBCQULTIAYMHR-GXFFZTMASA-N 2 2 392.135 3.068 20 0 GGADLP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423044801 566471449 /nfs/dbraw/zinc/47/14/49/566471449.db2.gz BBCRIIYYYMZQEX-SNRMKQJTSA-N 2 2 399.373 3.143 20 0 GGADLP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423044798 566471624 /nfs/dbraw/zinc/47/16/24/566471624.db2.gz BBCRIIYYYMZQEX-IPELMVKDSA-N 2 2 399.373 3.143 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC000650709838 566471758 /nfs/dbraw/zinc/47/17/58/566471758.db2.gz SKZMETSTUNKTJB-KSSFIOAISA-N 2 2 375.314 3.400 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3cccc(Br)c3)c[nH]1)C2 ZINC000650709838 566471764 /nfs/dbraw/zinc/47/17/64/566471764.db2.gz SKZMETSTUNKTJB-KSSFIOAISA-N 2 2 375.314 3.400 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Br)c3c(c1)OCCCO3)C2 ZINC000650709226 566471922 /nfs/dbraw/zinc/47/19/22/566471922.db2.gz LAHZURIQDBPIAQ-KSSFIOAISA-N 2 2 381.314 3.171 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Br)c3c(c1)OCCCO3)C2 ZINC000650709226 566471928 /nfs/dbraw/zinc/47/19/28/566471928.db2.gz LAHZURIQDBPIAQ-KSSFIOAISA-N 2 2 381.314 3.171 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709276 566472316 /nfs/dbraw/zinc/47/23/16/566472316.db2.gz OFPOFRIRKBCGRJ-LPHOPBHVSA-N 2 2 397.357 3.425 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709276 566472319 /nfs/dbraw/zinc/47/23/19/566472319.db2.gz OFPOFRIRKBCGRJ-LPHOPBHVSA-N 2 2 397.357 3.425 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1=O ZINC000423100578 566474757 /nfs/dbraw/zinc/47/47/57/566474757.db2.gz BWJWVYMUUMLNEU-OIISXLGYSA-N 2 2 394.357 3.291 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1=O ZINC000423100572 566475456 /nfs/dbraw/zinc/47/54/56/566475456.db2.gz BWJWVYMUUMLNEU-DJIMGWMZSA-N 2 2 394.357 3.291 20 0 GGADLP C[C@@H]([NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000423092966 566475723 /nfs/dbraw/zinc/47/57/23/566475723.db2.gz FBRONCQQEKLYBS-BIGNPOOSSA-N 2 2 381.236 3.231 20 0 GGADLP C[C@@H]([NH2+][C@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1OCCCO ZINC000423122277 566476652 /nfs/dbraw/zinc/47/66/52/566476652.db2.gz CAJOLXAKGUUPAS-CPUCHLNUSA-N 2 2 385.346 3.392 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1OCCCO ZINC000423122281 566476868 /nfs/dbraw/zinc/47/68/68/566476868.db2.gz CAJOLXAKGUUPAS-KEYYUXOJSA-N 2 2 385.346 3.392 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)[C@@H]1CCCC[NH2+]1 ZINC000423122282 566477259 /nfs/dbraw/zinc/47/72/59/566477259.db2.gz CAJOLXAKGUUPAS-VBQJREDUSA-N 2 2 385.346 3.392 20 0 GGADLP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423145360 566479161 /nfs/dbraw/zinc/47/91/61/566479161.db2.gz KKEZOWJEIVCFPX-BEFAXECRSA-N 2 2 380.941 3.052 20 0 GGADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423173577 566480741 /nfs/dbraw/zinc/48/07/41/566480741.db2.gz ZGFDXITVVMRDAT-KUHUBIRLSA-N 2 2 380.941 3.182 20 0 GGADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423173576 566481107 /nfs/dbraw/zinc/48/11/07/566481107.db2.gz ZGFDXITVVMRDAT-IFXJQAMLSA-N 2 2 380.941 3.182 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423206353 566481664 /nfs/dbraw/zinc/48/16/64/566481664.db2.gz BVSOYIFPRWBYAA-VNHYZAJKSA-N 2 2 392.345 3.377 20 0 GGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(Br)cc1 ZINC000537945355 566482990 /nfs/dbraw/zinc/48/29/90/566482990.db2.gz JUKLLBURLWPUOO-LJQANCHMSA-N 2 2 390.325 3.132 20 0 GGADLP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423258073 566484577 /nfs/dbraw/zinc/48/45/77/566484577.db2.gz AXIAZMNDKHFFNJ-ZUZCIYMTSA-N 2 2 394.368 3.199 20 0 GGADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423277143 566485034 /nfs/dbraw/zinc/48/50/34/566485034.db2.gz PJSKDHMCQDRIIO-RTBURBONSA-N 2 2 380.941 3.406 20 0 GGADLP C[N@@H+](Cc1ccc(I)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602657451 566485933 /nfs/dbraw/zinc/48/59/33/566485933.db2.gz XKRZXZRKAPYZTF-FOSCPWQOSA-N 2 2 376.307 3.410 20 0 GGADLP C[NH+](Cc1ccc(I)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000602657451 566485942 /nfs/dbraw/zinc/48/59/42/566485942.db2.gz XKRZXZRKAPYZTF-FOSCPWQOSA-N 2 2 376.307 3.410 20 0 GGADLP C[NH+](Cc1ccc(I)s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602657451 566485947 /nfs/dbraw/zinc/48/59/47/566485947.db2.gz XKRZXZRKAPYZTF-FOSCPWQOSA-N 2 2 376.307 3.410 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423330266 566485692 /nfs/dbraw/zinc/48/56/92/566485692.db2.gz NOGMPYWKSLYFSE-UGSOOPFHSA-N 2 2 392.345 3.379 20 0 GGADLP C[N@H+](Cc1ccc(I)s1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000602657451 566485930 /nfs/dbraw/zinc/48/59/30/566485930.db2.gz XKRZXZRKAPYZTF-FOSCPWQOSA-N 2 2 376.307 3.410 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)s1 ZINC000511775048 566487804 /nfs/dbraw/zinc/48/78/04/566487804.db2.gz FZNAYZXZJXWSHT-CQSZACIVSA-N 2 2 399.347 3.407 20 0 GGADLP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C(C)C)nnn1-c1cccc(Br)c1 ZINC000578062640 566488309 /nfs/dbraw/zinc/48/83/09/566488309.db2.gz GYUWVJVSBLVICK-CYBMUJFWSA-N 2 2 380.334 3.377 20 0 GGADLP COCCC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423437946 566488338 /nfs/dbraw/zinc/48/83/38/566488338.db2.gz UQWHJXFEJCCBLA-ZWKOTPCHSA-N 2 2 385.346 3.275 20 0 GGADLP CC[C@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423396749 566488999 /nfs/dbraw/zinc/48/89/99/566488999.db2.gz UIJSLHLOJZJCNL-DOTOQJQBSA-N 2 2 387.977 3.067 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423487346 566489737 /nfs/dbraw/zinc/48/97/37/566489737.db2.gz CMJJUNDXHDXKFS-CMPLNLGQSA-N 2 2 381.236 3.497 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423487355 566489807 /nfs/dbraw/zinc/48/98/07/566489807.db2.gz CMJJUNDXHDXKFS-JQWIXIFHSA-N 2 2 381.236 3.497 20 0 GGADLP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423509158 566490273 /nfs/dbraw/zinc/49/02/73/566490273.db2.gz ITUKXYRSBNSPDS-OALUTQOASA-N 2 2 392.316 3.171 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000423527865 566493000 /nfs/dbraw/zinc/49/30/00/566493000.db2.gz WEJQUCNLJDXFEP-ZYHUDNBSSA-N 2 2 380.252 3.022 20 0 GGADLP Fc1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCO2)c2cccc(Br)c2)c1 ZINC000423580193 566493290 /nfs/dbraw/zinc/49/32/90/566493290.db2.gz XILDFLIDHPUQHT-ROUUACIJSA-N 2 2 379.273 3.256 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CCO)c2ccccc2Br)s1 ZINC000511926855 566496924 /nfs/dbraw/zinc/49/69/24/566496924.db2.gz LLMYCDAECMZINY-HNNXBMFYSA-N 2 2 384.343 3.181 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000464781893 566505439 /nfs/dbraw/zinc/50/54/39/566505439.db2.gz WPGQKVAIFDXIDS-OAHLLOKOSA-N 2 2 386.367 3.316 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000464781893 566505446 /nfs/dbraw/zinc/50/54/46/566505446.db2.gz WPGQKVAIFDXIDS-OAHLLOKOSA-N 2 2 386.367 3.316 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)s1 ZINC000512025085 566506545 /nfs/dbraw/zinc/50/65/45/566506545.db2.gz OLRYRUIFNMJEEI-HNNXBMFYSA-N 2 2 378.929 3.143 20 0 GGADLP COc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(Br)c1 ZINC000512036921 566506772 /nfs/dbraw/zinc/50/67/72/566506772.db2.gz CVNVXLCFYAOTKQ-UHFFFAOYSA-N 2 2 385.346 3.437 20 0 GGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(Br)c1 ZINC000512054959 566508877 /nfs/dbraw/zinc/50/88/77/566508877.db2.gz WEFNNWPOSFFTDH-OALUTQOASA-N 2 2 397.357 3.315 20 0 GGADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cscc1Br ZINC000512053668 566509098 /nfs/dbraw/zinc/50/90/98/566509098.db2.gz SMQXTQMFXAZPNZ-SJLPKXTDSA-N 2 2 395.366 3.483 20 0 GGADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cscc1Br ZINC000512053668 566509099 /nfs/dbraw/zinc/50/90/99/566509099.db2.gz SMQXTQMFXAZPNZ-SJLPKXTDSA-N 2 2 395.366 3.483 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)s1 ZINC000512100014 566513746 /nfs/dbraw/zinc/51/37/46/566513746.db2.gz QXCMUBNGJNELHC-AWEZNQCLSA-N 2 2 395.370 3.336 20 0 GGADLP O[C@@H]1CC[N@@H+](C2CN(c3cc(C4CC4)[nH+]c4c(Br)cccc34)C2)C1 ZINC000651451492 566522949 /nfs/dbraw/zinc/52/29/49/566522949.db2.gz NVXHVEXGZCXCGK-CQSZACIVSA-N 2 2 388.309 3.130 20 0 GGADLP O[C@@H]1CC[N@H+](C2CN(c3cc(C4CC4)[nH+]c4c(Br)cccc34)C2)C1 ZINC000651451492 566522959 /nfs/dbraw/zinc/52/29/59/566522959.db2.gz NVXHVEXGZCXCGK-CQSZACIVSA-N 2 2 388.309 3.130 20 0 GGADLP C[N@@H+](Cc1cc2c(cc1Br)OCCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000538613685 566523208 /nfs/dbraw/zinc/52/32/08/566523208.db2.gz FOMSMNOLMSEMIV-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP C[N@H+](Cc1cc2c(cc1Br)OCCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000538613685 566523217 /nfs/dbraw/zinc/52/32/17/566523217.db2.gz FOMSMNOLMSEMIV-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP C[NH+](Cc1cc2c(cc1Br)OCCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000538613685 566523224 /nfs/dbraw/zinc/52/32/24/566523224.db2.gz FOMSMNOLMSEMIV-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP C[NH+](Cc1cc2c(cc1Br)OCCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000538613685 566523231 /nfs/dbraw/zinc/52/32/31/566523231.db2.gz FOMSMNOLMSEMIV-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP CS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000449104184 566529705 /nfs/dbraw/zinc/52/97/05/566529705.db2.gz DWDDILHJOGBCMG-KRWDZBQOSA-N 2 2 378.563 3.153 20 0 GGADLP CS(=O)(=O)c1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000449104184 566529711 /nfs/dbraw/zinc/52/97/11/566529711.db2.gz DWDDILHJOGBCMG-KRWDZBQOSA-N 2 2 378.563 3.153 20 0 GGADLP C[NH+](C)Cc1ccccc1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000485878087 566535247 /nfs/dbraw/zinc/53/52/47/566535247.db2.gz UIGZSIVRUPYRFQ-UHFFFAOYSA-N 2 2 387.281 3.088 20 0 GGADLP Cc1cc(Br)c(CN(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000651590100 566539391 /nfs/dbraw/zinc/53/93/91/566539391.db2.gz CFGNYQJSHKQWKI-OAHLLOKOSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(Br)c(CN(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000651590100 566539397 /nfs/dbraw/zinc/53/93/97/566539397.db2.gz CFGNYQJSHKQWKI-OAHLLOKOSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(Br)c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000651590100 566539399 /nfs/dbraw/zinc/53/93/99/566539399.db2.gz CFGNYQJSHKQWKI-OAHLLOKOSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(Br)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000651590100 566539404 /nfs/dbraw/zinc/53/94/04/566539404.db2.gz CFGNYQJSHKQWKI-OAHLLOKOSA-N 2 2 386.403 3.419 20 0 GGADLP CN(c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000603820468 566540101 /nfs/dbraw/zinc/54/01/01/566540101.db2.gz ZXSCIEKVCBAEFS-CQSZACIVSA-N 2 2 376.854 3.359 20 0 GGADLP CN(c1ncc(C(F)(F)F)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000603820468 566540107 /nfs/dbraw/zinc/54/01/07/566540107.db2.gz ZXSCIEKVCBAEFS-CQSZACIVSA-N 2 2 376.854 3.359 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312881 566540824 /nfs/dbraw/zinc/54/08/24/566540824.db2.gz WPZLQUHFQOIAGE-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312881 566540829 /nfs/dbraw/zinc/54/08/29/566540829.db2.gz WPZLQUHFQOIAGE-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559312881 566540838 /nfs/dbraw/zinc/54/08/38/566540838.db2.gz WPZLQUHFQOIAGE-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559312881 566540846 /nfs/dbraw/zinc/54/08/46/566540846.db2.gz WPZLQUHFQOIAGE-KBXCAEBGSA-N 2 2 380.330 3.194 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1Br ZINC000559310719 566540917 /nfs/dbraw/zinc/54/09/17/566540917.db2.gz BWJONSANOTWPAV-SFHVURJKSA-N 2 2 380.330 3.114 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1Br ZINC000559310719 566540925 /nfs/dbraw/zinc/54/09/25/566540925.db2.gz BWJONSANOTWPAV-SFHVURJKSA-N 2 2 380.330 3.114 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1Br ZINC000559310719 566540930 /nfs/dbraw/zinc/54/09/30/566540930.db2.gz BWJONSANOTWPAV-SFHVURJKSA-N 2 2 380.330 3.114 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1Br ZINC000559310719 566540940 /nfs/dbraw/zinc/54/09/40/566540940.db2.gz BWJONSANOTWPAV-SFHVURJKSA-N 2 2 380.330 3.114 20 0 GGADLP C[C@@H]1CN(Cc2cccc(Br)c2F)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000449324982 566550267 /nfs/dbraw/zinc/55/02/67/566550267.db2.gz IVHKWMIBPSXGLU-CQSZACIVSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@@H]1CN(Cc2cccc(Br)c2F)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000449324982 566550272 /nfs/dbraw/zinc/55/02/72/566550272.db2.gz IVHKWMIBPSXGLU-CQSZACIVSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@H]1CN(Cc2cccc(F)c2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000449325020 566551224 /nfs/dbraw/zinc/55/12/24/566551224.db2.gz JEOCGTQGPBPMNE-AWEZNQCLSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@H]1CN(Cc2cccc(F)c2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000449325020 566551225 /nfs/dbraw/zinc/55/12/25/566551225.db2.gz JEOCGTQGPBPMNE-AWEZNQCLSA-N 2 2 384.337 3.189 20 0 GGADLP COc1ccc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)c(Br)c1 ZINC000578814245 566555209 /nfs/dbraw/zinc/55/52/09/566555209.db2.gz XCIFBJMYCQOBCT-UHFFFAOYSA-N 2 2 394.313 3.083 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449385329 566556392 /nfs/dbraw/zinc/55/63/92/566556392.db2.gz FKDBRQRVTINJDC-AVVWSFFYSA-N 2 2 385.321 3.271 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449385329 566556395 /nfs/dbraw/zinc/55/63/95/566556395.db2.gz FKDBRQRVTINJDC-AVVWSFFYSA-N 2 2 385.321 3.271 20 0 GGADLP CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000604205781 566556928 /nfs/dbraw/zinc/55/69/28/566556928.db2.gz YRDFCRFHYXWWQS-DZGCQCFKSA-N 2 2 384.977 3.320 20 0 GGADLP CC[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000604205781 566556936 /nfs/dbraw/zinc/55/69/36/566556936.db2.gz YRDFCRFHYXWWQS-DZGCQCFKSA-N 2 2 384.977 3.320 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539091914 566557819 /nfs/dbraw/zinc/55/78/19/566557819.db2.gz SQRKWXBTQQUNHX-ZRGWGRIASA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539091914 566557828 /nfs/dbraw/zinc/55/78/28/566557828.db2.gz SQRKWXBTQQUNHX-ZRGWGRIASA-N 2 2 378.358 3.348 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C/C=C\c2ccc(Br)cc2)CC1 ZINC000449461048 566566473 /nfs/dbraw/zinc/56/64/73/566566473.db2.gz SDWSUJQYYIDJSQ-RQOWECAXSA-N 2 2 395.341 3.470 20 0 GGADLP O=C(NCC[NH+]1CCCCC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000466341895 566567195 /nfs/dbraw/zinc/56/71/95/566567195.db2.gz AVIOIGYOWXKBQT-SFHVURJKSA-N 2 2 394.357 3.188 20 0 GGADLP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000466334795 566567756 /nfs/dbraw/zinc/56/77/56/566567756.db2.gz NSHOWQXEHXIOMM-QZTJIDSGSA-N 2 2 394.357 3.139 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H]1C[N@H+](C)CCN1C ZINC000539318715 566574069 /nfs/dbraw/zinc/57/40/69/566574069.db2.gz SAQCVGUFHNXTTA-MRRJBJDNSA-N 2 2 384.387 3.067 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H]1C[N@@H+](C)CCN1C ZINC000539318715 566574074 /nfs/dbraw/zinc/57/40/74/566574074.db2.gz SAQCVGUFHNXTTA-MRRJBJDNSA-N 2 2 384.387 3.067 20 0 GGADLP Brc1cc2c(cc1CNc1ccc(Cn3cc[nH+]c3)c[nH+]1)OCO2 ZINC000513088734 566579228 /nfs/dbraw/zinc/57/92/28/566579228.db2.gz JCUIQXJKSPWBEB-UHFFFAOYSA-N 2 2 387.237 3.430 20 0 GGADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000449603264 566581843 /nfs/dbraw/zinc/58/18/43/566581843.db2.gz VQLLIEXBSRHXEY-HYVNUMGLSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000449603264 566581848 /nfs/dbraw/zinc/58/18/48/566581848.db2.gz VQLLIEXBSRHXEY-HYVNUMGLSA-N 2 2 381.358 3.123 20 0 GGADLP OC[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)Cc1cc(Br)ccc1F ZINC000449605075 566583207 /nfs/dbraw/zinc/58/32/07/566583207.db2.gz YPKZVKXVSXJZRH-ZDUSSCGKSA-N 2 2 392.272 3.177 20 0 GGADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449679708 566589654 /nfs/dbraw/zinc/58/96/54/566589654.db2.gz FADNGCFYLIAAKH-QRTARXTBSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449679708 566589658 /nfs/dbraw/zinc/58/96/58/566589658.db2.gz FADNGCFYLIAAKH-QRTARXTBSA-N 2 2 381.358 3.123 20 0 GGADLP C[C@H]([NH3+])C1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000579351441 566600582 /nfs/dbraw/zinc/60/05/82/566600582.db2.gz WPSUXJQUAMDLFB-KBXCAEBGSA-N 2 2 394.357 3.172 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000652360765 566605593 /nfs/dbraw/zinc/60/55/93/566605593.db2.gz PYZRLDIBPIUMIN-UHOFOFEASA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2c(Cl)cccc2Cl)C1 ZINC000652360765 566605598 /nfs/dbraw/zinc/60/55/98/566605598.db2.gz PYZRLDIBPIUMIN-UHOFOFEASA-N 2 2 386.323 3.293 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1CC[NH3+] ZINC000652354648 566605652 /nfs/dbraw/zinc/60/56/52/566605652.db2.gz DEBXQELSLFMEBH-XJKSGUPXSA-N 2 2 393.329 3.372 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H]1CC[NH3+] ZINC000652354648 566605655 /nfs/dbraw/zinc/60/56/55/566605655.db2.gz DEBXQELSLFMEBH-XJKSGUPXSA-N 2 2 393.329 3.372 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1CC[NH3+] ZINC000652354646 566605672 /nfs/dbraw/zinc/60/56/72/566605672.db2.gz DEBXQELSLFMEBH-CJNGLKHVSA-N 2 2 393.329 3.372 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1CC[NH3+] ZINC000652354646 566605675 /nfs/dbraw/zinc/60/56/75/566605675.db2.gz DEBXQELSLFMEBH-CJNGLKHVSA-N 2 2 393.329 3.372 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000560254983 566612329 /nfs/dbraw/zinc/61/23/29/566612329.db2.gz CMQNPULVRUVSBV-CQSZACIVSA-N 2 2 383.330 3.446 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(Br)c1 ZINC000560254983 566612335 /nfs/dbraw/zinc/61/23/35/566612335.db2.gz CMQNPULVRUVSBV-CQSZACIVSA-N 2 2 383.330 3.446 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cccc(Br)c1 ZINC000605574347 566614057 /nfs/dbraw/zinc/61/40/57/566614057.db2.gz NVAKIPOOZXNXJP-INIZCTEOSA-N 2 2 377.286 3.311 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1cccc(Br)c1 ZINC000605574347 566614067 /nfs/dbraw/zinc/61/40/67/566614067.db2.gz NVAKIPOOZXNXJP-INIZCTEOSA-N 2 2 377.286 3.311 20 0 GGADLP CCC[N@H+](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000425297927 566629053 /nfs/dbraw/zinc/62/90/53/566629053.db2.gz WEURQNCHKMXECR-UHFFFAOYSA-N 2 2 393.329 3.016 20 0 GGADLP CCC[N@@H+](C)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000425297927 566629059 /nfs/dbraw/zinc/62/90/59/566629059.db2.gz WEURQNCHKMXECR-UHFFFAOYSA-N 2 2 393.329 3.016 20 0 GGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Oc3cccc(Br)c3)CC2)n1C ZINC000425336786 566631641 /nfs/dbraw/zinc/63/16/41/566631641.db2.gz LVOQITDEOBEJQB-UHFFFAOYSA-N 2 2 393.329 3.292 20 0 GGADLP CN(C)c1[nH+]cc(C[NH+]2CCC(Nc3cccc(Br)c3)CC2)n1C ZINC000425348495 566632531 /nfs/dbraw/zinc/63/25/31/566632531.db2.gz YUIOIGSUZYHECC-UHFFFAOYSA-N 2 2 392.345 3.325 20 0 GGADLP O=C(C[NH2+]Cc1ccc(F)c(Cl)c1Cl)NCC[NH+]1CCCCCC1 ZINC000560547411 566635047 /nfs/dbraw/zinc/63/50/47/566635047.db2.gz XHCBIEPNAGBQRO-UHFFFAOYSA-N 2 2 376.303 3.214 20 0 GGADLP Cc1sc(NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc1-c1ccc(Br)cc1 ZINC000653058341 566647562 /nfs/dbraw/zinc/64/75/62/566647562.db2.gz OXGDXASZPZYFQK-ZDUSSCGKSA-N 2 2 397.342 3.099 20 0 GGADLP C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000606897993 566647788 /nfs/dbraw/zinc/64/77/88/566647788.db2.gz GTJWAYSOFFUAQT-CQSZACIVSA-N 2 2 390.329 3.188 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(Cc2ccc(Br)cc2)CCCCC1 ZINC000653084669 566648792 /nfs/dbraw/zinc/64/87/92/566648792.db2.gz NWIRVRGFBQGWIU-KRWDZBQOSA-N 2 2 396.373 3.090 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000653075698 566649233 /nfs/dbraw/zinc/64/92/33/566649233.db2.gz XOPDGUQQSITHQZ-ZWKOTPCHSA-N 2 2 380.319 3.478 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000653064394 566649736 /nfs/dbraw/zinc/64/97/36/566649736.db2.gz RYVPVUCOWMOUAC-ZDUSSCGKSA-N 2 2 387.336 3.258 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000653074637 566650045 /nfs/dbraw/zinc/65/00/45/566650045.db2.gz PQIALGDKHXIONE-QGZVFWFLSA-N 2 2 380.319 3.478 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675621188 566654807 /nfs/dbraw/zinc/65/48/07/566654807.db2.gz VDFXANJHFOAHOT-KRWDZBQOSA-N 2 2 381.307 3.485 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000675621188 566654810 /nfs/dbraw/zinc/65/48/10/566654810.db2.gz VDFXANJHFOAHOT-KRWDZBQOSA-N 2 2 381.307 3.485 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Br)cc3)[nH+]c2)CC1 ZINC000540626942 566661238 /nfs/dbraw/zinc/66/12/38/566661238.db2.gz SWHGSNGAEUPLHQ-UHFFFAOYSA-N 2 2 389.341 3.409 20 0 GGADLP CCSc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000629531331 566664407 /nfs/dbraw/zinc/66/44/07/566664407.db2.gz HPNICNQFDKIHSE-HNNXBMFYSA-N 2 2 384.387 3.041 20 0 GGADLP Clc1ccc2c(c1Cl)OCCC[C@H]2[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000629552765 566665782 /nfs/dbraw/zinc/66/57/82/566665782.db2.gz PTJCSKLWDQTKAC-IUODEOHRSA-N 2 2 382.295 3.123 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629562047 566666424 /nfs/dbraw/zinc/66/64/24/566666424.db2.gz LGVFHSILRMMZKS-YPMHNXCESA-N 2 2 381.236 3.417 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629562047 566666428 /nfs/dbraw/zinc/66/64/28/566666428.db2.gz LGVFHSILRMMZKS-YPMHNXCESA-N 2 2 381.236 3.417 20 0 GGADLP COc1c(Br)cc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1Br ZINC000560942895 566667578 /nfs/dbraw/zinc/66/75/78/566667578.db2.gz ZCKBFTUNDMUQQS-LBPRGKRZSA-N 2 2 378.108 3.047 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000467834650 566670309 /nfs/dbraw/zinc/67/03/09/566670309.db2.gz LMUZKEPOBIJYQL-PBHICJAKSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000467834650 566670315 /nfs/dbraw/zinc/67/03/15/566670315.db2.gz LMUZKEPOBIJYQL-PBHICJAKSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000467834651 566670674 /nfs/dbraw/zinc/67/06/74/566670674.db2.gz LMUZKEPOBIJYQL-RHSMWYFYSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000467834651 566670678 /nfs/dbraw/zinc/67/06/78/566670678.db2.gz LMUZKEPOBIJYQL-RHSMWYFYSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)[C@H](C)C1 ZINC000450452011 566672580 /nfs/dbraw/zinc/67/25/80/566672580.db2.gz GVGWPQXBEBTHAZ-NEPJUHHUSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)[C@H](C)C1 ZINC000450452011 566672584 /nfs/dbraw/zinc/67/25/84/566672584.db2.gz GVGWPQXBEBTHAZ-NEPJUHHUSA-N 2 2 382.277 3.028 20 0 GGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)CC[C@H]1C(F)(F)F ZINC000629652496 566675235 /nfs/dbraw/zinc/67/52/35/566675235.db2.gz BCVAVVHYRPFDKB-GXTWGEPZSA-N 2 2 393.247 3.343 20 0 GGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)cc3c2OCC3)CC[C@H]1C(F)(F)F ZINC000629652496 566675239 /nfs/dbraw/zinc/67/52/39/566675239.db2.gz BCVAVVHYRPFDKB-GXTWGEPZSA-N 2 2 393.247 3.343 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)CC[C@H]1C(F)(F)F ZINC000629652499 566675324 /nfs/dbraw/zinc/67/53/24/566675324.db2.gz BCVAVVHYRPFDKB-TZMCWYRMSA-N 2 2 393.247 3.343 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Br)cc3c2OCC3)CC[C@H]1C(F)(F)F ZINC000629652499 566675329 /nfs/dbraw/zinc/67/53/29/566675329.db2.gz BCVAVVHYRPFDKB-TZMCWYRMSA-N 2 2 393.247 3.343 20 0 GGADLP Fc1cc2[nH+]ccc(N3CCN(c4[nH]cc[nH+]4)CC3)c2cc1Br ZINC000450482293 566676276 /nfs/dbraw/zinc/67/62/76/566676276.db2.gz GFNSGNIYONHJDL-UHFFFAOYSA-N 2 2 376.233 3.186 20 0 GGADLP CCOc1c(Br)cc(C[N@H+](CC)CC[NH3+])cc1Br ZINC000629654639 566676813 /nfs/dbraw/zinc/67/68/13/566676813.db2.gz OOJSYEFOOGIAKK-UHFFFAOYSA-N 2 2 380.124 3.391 20 0 GGADLP CCOc1c(Br)cc(C[N@@H+](CC)CC[NH3+])cc1Br ZINC000629654639 566676821 /nfs/dbraw/zinc/67/68/21/566676821.db2.gz OOJSYEFOOGIAKK-UHFFFAOYSA-N 2 2 380.124 3.391 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000425915507 566681247 /nfs/dbraw/zinc/68/12/47/566681247.db2.gz AKPFYTHIXMKWKG-CHWSQXEVSA-N 2 2 380.334 3.187 20 0 GGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000653617040 566681938 /nfs/dbraw/zinc/68/19/38/566681938.db2.gz UBAGMKOWXDMTJM-KBPBESRZSA-N 2 2 383.252 3.345 20 0 GGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000653617040 566681943 /nfs/dbraw/zinc/68/19/43/566681943.db2.gz UBAGMKOWXDMTJM-KBPBESRZSA-N 2 2 383.252 3.345 20 0 GGADLP Brc1ccccc1-c1cnc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)o1 ZINC000653645981 566682519 /nfs/dbraw/zinc/68/25/19/566682519.db2.gz HBWLOLYAYDHPOK-UHFFFAOYSA-N 2 2 388.269 3.149 20 0 GGADLP O=C1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000515052896 566687769 /nfs/dbraw/zinc/68/77/69/566687769.db2.gz NJPZLDSOVPXUGW-GOSISDBHSA-N 2 2 392.341 3.018 20 0 GGADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000608014253 566691231 /nfs/dbraw/zinc/69/12/31/566691231.db2.gz WWJYEEMCYHSCFJ-IRXDYDNUSA-N 2 2 376.298 3.033 20 0 GGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450637461 566692767 /nfs/dbraw/zinc/69/27/67/566692767.db2.gz AOWWRSWZFDBHMD-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450637461 566692774 /nfs/dbraw/zinc/69/27/74/566692774.db2.gz AOWWRSWZFDBHMD-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP C[C@H](CC[NH2+]Cc1cn(-c2ccccc2Br)nn1)[NH+]1CCCCC1 ZINC000580487035 566697463 /nfs/dbraw/zinc/69/74/63/566697463.db2.gz CJCJMNVWWDWDJF-OAHLLOKOSA-N 2 2 392.345 3.384 20 0 GGADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Br)cccc12 ZINC000561356683 566698141 /nfs/dbraw/zinc/69/81/41/566698141.db2.gz XZUBHNHVYCCVKX-KBPBESRZSA-N 2 2 376.298 3.297 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000676477774 566698814 /nfs/dbraw/zinc/69/88/14/566698814.db2.gz NMNRWUCQBMUGSO-AWEZNQCLSA-N 2 2 380.286 3.500 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1OC ZINC000676477774 566698817 /nfs/dbraw/zinc/69/88/17/566698817.db2.gz NMNRWUCQBMUGSO-AWEZNQCLSA-N 2 2 380.286 3.500 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676478812 566698862 /nfs/dbraw/zinc/69/88/62/566698862.db2.gz PFXGKMHXSUTNOQ-UONOGXRCSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000676478812 566698864 /nfs/dbraw/zinc/69/88/64/566698864.db2.gz PFXGKMHXSUTNOQ-UONOGXRCSA-N 2 2 377.286 3.310 20 0 GGADLP O[C@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000608082858 566701014 /nfs/dbraw/zinc/70/10/14/566701014.db2.gz NJMLIZNXPLFQDW-MSOLQXFVSA-N 2 2 376.298 3.033 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000580559675 566703922 /nfs/dbraw/zinc/70/39/22/566703922.db2.gz UQPHKCGZNQBJAV-FHLIZLRMSA-N 2 2 394.357 3.042 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@H]4C[N@H+](C)CC[C@H]43)c[nH+]c12 ZINC000515465649 566714770 /nfs/dbraw/zinc/71/47/70/566714770.db2.gz HIUZGGJKZKJHCO-WMLDXEAASA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@H]4C[N@@H+](C)CC[C@H]43)c[nH+]c12 ZINC000515465649 566714771 /nfs/dbraw/zinc/71/47/71/566714771.db2.gz HIUZGGJKZKJHCO-WMLDXEAASA-N 2 2 377.330 3.321 20 0 GGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505157 566717989 /nfs/dbraw/zinc/71/79/89/566717989.db2.gz MAYZXVGAQMZHFW-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505157 566717990 /nfs/dbraw/zinc/71/79/90/566717990.db2.gz MAYZXVGAQMZHFW-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505157 566717993 /nfs/dbraw/zinc/71/79/93/566717993.db2.gz MAYZXVGAQMZHFW-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505157 566717994 /nfs/dbraw/zinc/71/79/94/566717994.db2.gz MAYZXVGAQMZHFW-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000541704040 566742984 /nfs/dbraw/zinc/74/29/84/566742984.db2.gz VZNXFANVEZBQBC-AWEZNQCLSA-N 2 2 377.941 3.493 20 0 GGADLP C[C@H](c1ncc(Br)cn1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000561854940 566744683 /nfs/dbraw/zinc/74/46/83/566744683.db2.gz QQSAOCOERRXPEC-OAHLLOKOSA-N 2 2 397.361 3.125 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427107661 566748145 /nfs/dbraw/zinc/74/81/45/566748145.db2.gz LKQKJMNRTUUNLR-KXBFYZLASA-N 2 2 389.341 3.435 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427107661 566748148 /nfs/dbraw/zinc/74/81/48/566748148.db2.gz LKQKJMNRTUUNLR-KXBFYZLASA-N 2 2 389.341 3.435 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427121282 566748509 /nfs/dbraw/zinc/74/85/09/566748509.db2.gz HQQYYOBXYALWQB-KSSFIOAISA-N 2 2 375.314 3.127 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427121282 566748511 /nfs/dbraw/zinc/74/85/11/566748511.db2.gz HQQYYOBXYALWQB-KSSFIOAISA-N 2 2 375.314 3.127 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427107659 566748596 /nfs/dbraw/zinc/74/85/96/566748596.db2.gz LKQKJMNRTUUNLR-DNVCBOLYSA-N 2 2 389.341 3.435 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427107659 566748601 /nfs/dbraw/zinc/74/86/01/566748601.db2.gz LKQKJMNRTUUNLR-DNVCBOLYSA-N 2 2 389.341 3.435 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000654775563 566753458 /nfs/dbraw/zinc/75/34/58/566753458.db2.gz OYZYOVKNNYTUSG-AWEZNQCLSA-N 2 2 384.351 3.211 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000654775563 566753464 /nfs/dbraw/zinc/75/34/64/566753464.db2.gz OYZYOVKNNYTUSG-AWEZNQCLSA-N 2 2 384.351 3.211 20 0 GGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561981999 566753756 /nfs/dbraw/zinc/75/37/56/566753756.db2.gz CVBYAZZAUGKNCD-CJNGLKHVSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561981999 566753763 /nfs/dbraw/zinc/75/37/63/566753763.db2.gz CVBYAZZAUGKNCD-CJNGLKHVSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561981999 566753766 /nfs/dbraw/zinc/75/37/66/566753766.db2.gz CVBYAZZAUGKNCD-CJNGLKHVSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561981999 566753773 /nfs/dbraw/zinc/75/37/73/566753773.db2.gz CVBYAZZAUGKNCD-CJNGLKHVSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561982003 566753794 /nfs/dbraw/zinc/75/37/94/566753794.db2.gz CVBYAZZAUGKNCD-XJKSGUPXSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561982003 566753799 /nfs/dbraw/zinc/75/37/99/566753799.db2.gz CVBYAZZAUGKNCD-XJKSGUPXSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561982003 566753806 /nfs/dbraw/zinc/75/38/06/566753806.db2.gz CVBYAZZAUGKNCD-XJKSGUPXSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561982003 566753813 /nfs/dbraw/zinc/75/38/13/566753813.db2.gz CVBYAZZAUGKNCD-XJKSGUPXSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561982001 566754195 /nfs/dbraw/zinc/75/41/95/566754195.db2.gz CVBYAZZAUGKNCD-CZUORRHYSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561982001 566754201 /nfs/dbraw/zinc/75/42/01/566754201.db2.gz CVBYAZZAUGKNCD-CZUORRHYSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561982001 566754211 /nfs/dbraw/zinc/75/42/11/566754211.db2.gz CVBYAZZAUGKNCD-CZUORRHYSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561982001 566754216 /nfs/dbraw/zinc/75/42/16/566754216.db2.gz CVBYAZZAUGKNCD-CZUORRHYSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Cl)cc(Cl)c3F)CC2)CC1 ZINC000630863255 566758336 /nfs/dbraw/zinc/75/83/36/566758336.db2.gz SEVYXWFPXYJKEL-UHFFFAOYSA-N 2 2 388.314 3.421 20 0 GGADLP CC[N@H+](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)CCC(F)(F)F ZINC000427256193 566760958 /nfs/dbraw/zinc/76/09/58/566760958.db2.gz IVNQPTUFDQCEHS-OAHLLOKOSA-N 2 2 379.854 3.333 20 0 GGADLP CC[N@@H+](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)CCC(F)(F)F ZINC000427256193 566760962 /nfs/dbraw/zinc/76/09/62/566760962.db2.gz IVNQPTUFDQCEHS-OAHLLOKOSA-N 2 2 379.854 3.333 20 0 GGADLP CN(Cc1ccc(Br)cc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677801394 566763412 /nfs/dbraw/zinc/76/34/12/566763412.db2.gz NNISKRDIWYJJGA-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1ccc(Br)cc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677801394 566763414 /nfs/dbraw/zinc/76/34/14/566763414.db2.gz NNISKRDIWYJJGA-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@H+](Cc1ccc(Br)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801394 566763415 /nfs/dbraw/zinc/76/34/15/566763415.db2.gz NNISKRDIWYJJGA-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@@H+](Cc1ccc(Br)cc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801394 566763416 /nfs/dbraw/zinc/76/34/16/566763416.db2.gz NNISKRDIWYJJGA-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1cc(F)ccc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677801372 566764465 /nfs/dbraw/zinc/76/44/65/566764465.db2.gz LSROYIVCBSZICF-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1cc(F)ccc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677801372 566764469 /nfs/dbraw/zinc/76/44/69/566764469.db2.gz LSROYIVCBSZICF-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP O=C(C[NH+]1CCCC1)N1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000489106395 566769678 /nfs/dbraw/zinc/76/96/78/566769678.db2.gz VKNXDQYUKKUZSL-UHFFFAOYSA-N 2 2 381.973 3.062 20 0 GGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(OC)c(Br)cc2F)CC1 ZINC000631061152 566776205 /nfs/dbraw/zinc/77/62/05/566776205.db2.gz KLRATGJVUBYRGH-UHFFFAOYSA-N 2 2 389.309 3.187 20 0 GGADLP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccncc2Br)CC1 ZINC000631082204 566777804 /nfs/dbraw/zinc/77/78/04/566777804.db2.gz DEBNCZZZMROKPP-UHFFFAOYSA-N 2 2 390.325 3.091 20 0 GGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000581436965 566778403 /nfs/dbraw/zinc/77/84/03/566778403.db2.gz PNGXTZMXQWFRDW-OALUTQOASA-N 2 2 392.341 3.030 20 0 GGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000581436965 566778410 /nfs/dbraw/zinc/77/84/10/566778410.db2.gz PNGXTZMXQWFRDW-OALUTQOASA-N 2 2 392.341 3.030 20 0 GGADLP Cn1ncc(Br)c1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000631206767 566790840 /nfs/dbraw/zinc/79/08/40/566790840.db2.gz JGNCBUDQJXDOME-UHFFFAOYSA-N 2 2 395.320 3.118 20 0 GGADLP CS[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000451319865 566796310 /nfs/dbraw/zinc/79/63/10/566796310.db2.gz JBMIBVFATCIYLI-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP CS[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000451319865 566796316 /nfs/dbraw/zinc/79/63/16/566796316.db2.gz JBMIBVFATCIYLI-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@@H]3C[NH+]3CCCC3)c[nH+]c12 ZINC000542467483 566803528 /nfs/dbraw/zinc/80/35/28/566803528.db2.gz VZGQUXGGDSCJBF-MRXNPFEDSA-N 2 2 377.330 3.465 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000428035423 566811969 /nfs/dbraw/zinc/81/19/69/566811969.db2.gz FVYBEQATFPHFBK-WBAXXEDZSA-N 2 2 382.335 3.341 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000428035423 566811975 /nfs/dbraw/zinc/81/19/75/566811975.db2.gz FVYBEQATFPHFBK-WBAXXEDZSA-N 2 2 382.335 3.341 20 0 GGADLP CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000469771648 566813048 /nfs/dbraw/zinc/81/30/48/566813048.db2.gz DAUGMQALIBLELB-ROUUACIJSA-N 2 2 381.611 3.046 20 0 GGADLP Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000631683739 566817285 /nfs/dbraw/zinc/81/72/85/566817285.db2.gz IOEUHPLRGXODSD-OSYLJGHBSA-N 2 2 389.341 3.468 20 0 GGADLP Cn1ncc(Br)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631683739 566817294 /nfs/dbraw/zinc/81/72/94/566817294.db2.gz IOEUHPLRGXODSD-OSYLJGHBSA-N 2 2 389.341 3.468 20 0 GGADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000562749716 566819231 /nfs/dbraw/zinc/81/92/31/566819231.db2.gz VHQHHOJFJRJROL-NSHDSACASA-N 2 2 396.866 3.101 20 0 GGADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2SCC(F)(F)F)[C@@H](C[NH3+])C1 ZINC000562749716 566819237 /nfs/dbraw/zinc/81/92/37/566819237.db2.gz VHQHHOJFJRJROL-NSHDSACASA-N 2 2 396.866 3.101 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469851269 566819754 /nfs/dbraw/zinc/81/97/54/566819754.db2.gz YJCDCRFNSKDWBH-MWLCHTKSSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469851269 566819759 /nfs/dbraw/zinc/81/97/59/566819759.db2.gz YJCDCRFNSKDWBH-MWLCHTKSSA-N 2 2 379.245 3.228 20 0 GGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)cc1F ZINC000542725400 566820824 /nfs/dbraw/zinc/82/08/24/566820824.db2.gz WKDHVZJFCLFYFP-UHFFFAOYSA-N 2 2 384.904 3.234 20 0 GGADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC(F)F ZINC000469862885 566821914 /nfs/dbraw/zinc/82/19/14/566821914.db2.gz NXQNJMXVGYTZBG-ONGXEEELSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC(F)F ZINC000469862885 566821920 /nfs/dbraw/zinc/82/19/20/566821920.db2.gz NXQNJMXVGYTZBG-ONGXEEELSA-N 2 2 379.245 3.228 20 0 GGADLP CCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000517370045 566822005 /nfs/dbraw/zinc/82/20/05/566822005.db2.gz FBQFFTZPDTXBFF-SFHVURJKSA-N 2 2 396.373 3.386 20 0 GGADLP CCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](CC)c2ccc(Br)cc2)CC1 ZINC000517370045 566822016 /nfs/dbraw/zinc/82/20/16/566822016.db2.gz FBQFFTZPDTXBFF-SFHVURJKSA-N 2 2 396.373 3.386 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000469880455 566825223 /nfs/dbraw/zinc/82/52/23/566825223.db2.gz QRQXIBQUHBXRJG-XKQJLSEDSA-N 2 2 383.330 3.034 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000469880455 566825229 /nfs/dbraw/zinc/82/52/29/566825229.db2.gz QRQXIBQUHBXRJG-XKQJLSEDSA-N 2 2 383.330 3.034 20 0 GGADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2nc3c(s2)CCCC3)c2cccs2)CC1 ZINC000678945722 566827967 /nfs/dbraw/zinc/82/79/67/566827967.db2.gz FDYNOQKWEZOMGL-INIZCTEOSA-N 2 2 376.595 3.162 20 0 GGADLP CN(C)C(=O)C[NH+]1CCC([NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000428282767 566830412 /nfs/dbraw/zinc/83/04/12/566830412.db2.gz GGTKAVDDCPWSEO-UHFFFAOYSA-N 2 2 386.367 3.458 20 0 GGADLP Cc1ccc(CCC[N@@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c[nH+]1 ZINC000428281512 566831213 /nfs/dbraw/zinc/83/12/13/566831213.db2.gz ABRNQXHPBNNGRA-KRWDZBQOSA-N 2 2 376.298 3.244 20 0 GGADLP Cc1ccc(CCC[N@H+](C)[C@H](C(N)=O)c2cccc(Br)c2)c[nH+]1 ZINC000428281512 566831218 /nfs/dbraw/zinc/83/12/18/566831218.db2.gz ABRNQXHPBNNGRA-KRWDZBQOSA-N 2 2 376.298 3.244 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(Br)c1OC(F)F ZINC000469988336 566835217 /nfs/dbraw/zinc/83/52/17/566835217.db2.gz ACBXVFCXSYVSTC-SKDRFNHKSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc(Br)c1OC(F)F ZINC000469988336 566835222 /nfs/dbraw/zinc/83/52/22/566835222.db2.gz ACBXVFCXSYVSTC-SKDRFNHKSA-N 2 2 379.245 3.228 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000655690988 566836127 /nfs/dbraw/zinc/83/61/27/566836127.db2.gz ATZAZRFQTGFNNM-CZUORRHYSA-N 2 2 383.330 3.362 20 0 GGADLP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655733385 566840426 /nfs/dbraw/zinc/84/04/26/566840426.db2.gz MNJXZJCVIINJCC-CZUORRHYSA-N 2 2 385.321 3.362 20 0 GGADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655735530 566840475 /nfs/dbraw/zinc/84/04/75/566840475.db2.gz IZKXWGAXOKKORG-ZMYBRWDISA-N 2 2 397.357 3.368 20 0 GGADLP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655733386 566840552 /nfs/dbraw/zinc/84/05/52/566840552.db2.gz MNJXZJCVIINJCC-XJKSGUPXSA-N 2 2 385.321 3.362 20 0 GGADLP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655737023 566840566 /nfs/dbraw/zinc/84/05/66/566840566.db2.gz JHQAPNSVXQRPKK-SUMWQHHRSA-N 2 2 385.321 3.362 20 0 GGADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655735527 566840889 /nfs/dbraw/zinc/84/08/89/566840889.db2.gz IZKXWGAXOKKORG-CCKFTAQKSA-N 2 2 397.357 3.368 20 0 GGADLP Cc1c[nH+]ccc1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000562990904 566841483 /nfs/dbraw/zinc/84/14/83/566841483.db2.gz JLOWWVUCILJJJI-OAHLLOKOSA-N 2 2 399.716 3.378 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490325283 566843443 /nfs/dbraw/zinc/84/34/43/566843443.db2.gz AONYSTFTOYYYLJ-YJBOKZPZSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490325283 566843452 /nfs/dbraw/zinc/84/34/52/566843452.db2.gz AONYSTFTOYYYLJ-YJBOKZPZSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490325274 566843747 /nfs/dbraw/zinc/84/37/47/566843747.db2.gz AONYSTFTOYYYLJ-CRAIPNDOSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490325274 566843754 /nfs/dbraw/zinc/84/37/54/566843754.db2.gz AONYSTFTOYYYLJ-CRAIPNDOSA-N 2 2 377.330 3.146 20 0 GGADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562999709 566844131 /nfs/dbraw/zinc/84/41/31/566844131.db2.gz DDUAARITCGLJGU-OOVXDXFJSA-N 2 2 387.351 3.157 20 0 GGADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562999709 566844137 /nfs/dbraw/zinc/84/41/37/566844137.db2.gz DDUAARITCGLJGU-OOVXDXFJSA-N 2 2 387.351 3.157 20 0 GGADLP OCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000655752321 566844575 /nfs/dbraw/zinc/84/45/75/566844575.db2.gz XJUKTFWBHIHNER-LPHOPBHVSA-N 2 2 397.357 3.106 20 0 GGADLP OCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000655752322 566844702 /nfs/dbraw/zinc/84/47/02/566844702.db2.gz XJUKTFWBHIHNER-QFBILLFUSA-N 2 2 397.357 3.106 20 0 GGADLP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c(Cl)c1 ZINC000655760423 566844875 /nfs/dbraw/zinc/84/48/75/566844875.db2.gz PZTXRBJDDUTNSI-IAGOWNOFSA-N 2 2 384.351 3.415 20 0 GGADLP Brc1cncc([C@H]([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C2CC2)c1 ZINC000655765227 566845838 /nfs/dbraw/zinc/84/58/38/566845838.db2.gz BGHOHGYARWDDML-ZWKOTPCHSA-N 2 2 380.330 3.138 20 0 GGADLP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CS2 ZINC000655762829 566846110 /nfs/dbraw/zinc/84/61/10/566846110.db2.gz YRYINEMTLXLGMA-GDBMZVCRSA-N 2 2 383.355 3.439 20 0 GGADLP Fc1cc(Br)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000655767424 566847259 /nfs/dbraw/zinc/84/72/59/566847259.db2.gz VGSOKSRKHIJLAL-AWEZNQCLSA-N 2 2 389.284 3.460 20 0 GGADLP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771658 566848043 /nfs/dbraw/zinc/84/80/43/566848043.db2.gz AMXSHZWPBSBUSH-GUYCJALGSA-N 2 2 383.305 3.418 20 0 GGADLP COCC[N@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679331787 566849981 /nfs/dbraw/zinc/84/99/81/566849981.db2.gz AIPSUDKXPSRNST-QZTJIDSGSA-N 2 2 385.346 3.227 20 0 GGADLP COCC[N@@H+](C)CCC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679331787 566849987 /nfs/dbraw/zinc/84/99/87/566849987.db2.gz AIPSUDKXPSRNST-QZTJIDSGSA-N 2 2 385.346 3.227 20 0 GGADLP Cc1cccn2c(C[NH2+]C[C@@H](CO)Cc3ccc(Br)cc3)c[nH+]c12 ZINC000428529488 566850285 /nfs/dbraw/zinc/85/02/85/566850285.db2.gz APWJXPCRZRDMDC-INIZCTEOSA-N 2 2 388.309 3.346 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000470161187 566851512 /nfs/dbraw/zinc/85/15/12/566851512.db2.gz NIRHCNNQXKKNII-IIDMSEBBSA-N 2 2 377.330 3.459 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000470161187 566851517 /nfs/dbraw/zinc/85/15/17/566851517.db2.gz NIRHCNNQXKKNII-IIDMSEBBSA-N 2 2 377.330 3.459 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000517936056 566855042 /nfs/dbraw/zinc/85/50/42/566855042.db2.gz OKDZEEDLKQZWKT-ZBFHGGJFSA-N 2 2 375.257 3.056 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)cc(Cl)cc3N(C)C)C2)CC1 ZINC000582392154 566858693 /nfs/dbraw/zinc/85/86/93/566858693.db2.gz NQXWCDHBYIQHAL-MRXNPFEDSA-N 2 2 385.383 3.271 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)cc(Cl)cc3N(C)C)C2)CC1 ZINC000582392154 566858701 /nfs/dbraw/zinc/85/87/01/566858701.db2.gz NQXWCDHBYIQHAL-MRXNPFEDSA-N 2 2 385.383 3.271 20 0 GGADLP CC(C)[NH2+]CCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000518180658 566869767 /nfs/dbraw/zinc/86/97/67/566869767.db2.gz OQQKFCRMEGIPOC-QGZVFWFLSA-N 2 2 382.346 3.090 20 0 GGADLP CC(C)[NH2+]CCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000518180657 566870652 /nfs/dbraw/zinc/87/06/52/566870652.db2.gz OQQKFCRMEGIPOC-KRWDZBQOSA-N 2 2 382.346 3.090 20 0 GGADLP Cc1cc([C@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)c(C)s1 ZINC000543441773 566883047 /nfs/dbraw/zinc/88/30/47/566883047.db2.gz SFMMOMCZBGYSEU-HNNXBMFYSA-N 2 2 377.579 3.421 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582733871 566889308 /nfs/dbraw/zinc/88/93/08/566889308.db2.gz NMTYPPJELXGXDU-AWEZNQCLSA-N 2 2 381.307 3.175 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000582733871 566889313 /nfs/dbraw/zinc/88/93/13/566889313.db2.gz NMTYPPJELXGXDU-AWEZNQCLSA-N 2 2 381.307 3.175 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582733872 566889593 /nfs/dbraw/zinc/88/95/93/566889593.db2.gz NMTYPPJELXGXDU-CQSZACIVSA-N 2 2 381.307 3.175 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000582733872 566889600 /nfs/dbraw/zinc/88/96/00/566889600.db2.gz NMTYPPJELXGXDU-CQSZACIVSA-N 2 2 381.307 3.175 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000656255391 566890114 /nfs/dbraw/zinc/89/01/14/566890114.db2.gz KTXCDAAGHFEMHE-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000656255391 566890118 /nfs/dbraw/zinc/89/01/18/566890118.db2.gz KTXCDAAGHFEMHE-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000656255391 566890125 /nfs/dbraw/zinc/89/01/25/566890125.db2.gz KTXCDAAGHFEMHE-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000656255391 566890129 /nfs/dbraw/zinc/89/01/29/566890129.db2.gz KTXCDAAGHFEMHE-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000656254647 566890733 /nfs/dbraw/zinc/89/07/33/566890733.db2.gz DJFOVOPMJUKDEF-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000656254647 566890738 /nfs/dbraw/zinc/89/07/38/566890738.db2.gz DJFOVOPMJUKDEF-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000656254647 566890745 /nfs/dbraw/zinc/89/07/45/566890745.db2.gz DJFOVOPMJUKDEF-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@@H]21 ZINC000656254647 566890751 /nfs/dbraw/zinc/89/07/51/566890751.db2.gz DJFOVOPMJUKDEF-BEFAXECRSA-N 2 2 389.341 3.469 20 0 GGADLP Fc1cc2c(cc1Br)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CO2 ZINC000656260291 566894364 /nfs/dbraw/zinc/89/43/64/566894364.db2.gz TUTHCQCYBLRDFX-GUYCJALGSA-N 2 2 399.304 3.255 20 0 GGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000582964844 566910371 /nfs/dbraw/zinc/91/03/71/566910371.db2.gz PPTRJQAXJUTFRB-BXUZGUMPSA-N 2 2 378.929 3.380 20 0 GGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000582964844 566910373 /nfs/dbraw/zinc/91/03/73/566910373.db2.gz PPTRJQAXJUTFRB-BXUZGUMPSA-N 2 2 378.929 3.380 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519176759 566925618 /nfs/dbraw/zinc/92/56/18/566925618.db2.gz IJXFAXSAVKZEGS-CQSZACIVSA-N 2 2 381.307 3.175 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000519176759 566925623 /nfs/dbraw/zinc/92/56/23/566925623.db2.gz IJXFAXSAVKZEGS-CQSZACIVSA-N 2 2 381.307 3.175 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)CCC2 ZINC000563881466 566926266 /nfs/dbraw/zinc/92/62/66/566926266.db2.gz JDUWHGHRNXXYFF-ZFWWWQNUSA-N 2 2 384.307 3.405 20 0 GGADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000583329947 566941194 /nfs/dbraw/zinc/94/11/94/566941194.db2.gz HJGHDAVDZKPGNU-UHFFFAOYSA-N 2 2 381.307 3.118 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786798 566949959 /nfs/dbraw/zinc/94/99/59/566949959.db2.gz QSPOTLDBSGNCOD-MRXNPFEDSA-N 2 2 384.973 3.345 20 0 GGADLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)c(Br)c1 ZINC000564202620 566955478 /nfs/dbraw/zinc/95/54/78/566955478.db2.gz SBQLYYIXXQPNNT-SNVBAGLBSA-N 2 2 382.281 3.024 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000519666207 566956182 /nfs/dbraw/zinc/95/61/82/566956182.db2.gz BBMANDRRZBWHBS-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000519666207 566956187 /nfs/dbraw/zinc/95/61/87/566956187.db2.gz BBMANDRRZBWHBS-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000519666207 566956191 /nfs/dbraw/zinc/95/61/91/566956191.db2.gz BBMANDRRZBWHBS-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000519666207 566956201 /nfs/dbraw/zinc/95/62/01/566956201.db2.gz BBMANDRRZBWHBS-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@H](C[NH+]4CCCC4)C3)c[nH+]c12 ZINC000544352190 566956881 /nfs/dbraw/zinc/95/68/81/566956881.db2.gz XXKOWLJZFKPMLX-HNNXBMFYSA-N 2 2 377.330 3.323 20 0 GGADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000519682389 566958118 /nfs/dbraw/zinc/95/81/18/566958118.db2.gz SVKRWDSKTNWNHB-SFHVURJKSA-N 2 2 387.351 3.412 20 0 GGADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(=Cc2cc(Cl)ccc2Cl)CC1 ZINC000519682389 566958126 /nfs/dbraw/zinc/95/81/26/566958126.db2.gz SVKRWDSKTNWNHB-SFHVURJKSA-N 2 2 387.351 3.412 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681210241 566960237 /nfs/dbraw/zinc/96/02/37/566960237.db2.gz JVMDQSQIARFGQB-DZGCQCFKSA-N 2 2 384.977 3.272 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000681210241 566960239 /nfs/dbraw/zinc/96/02/39/566960239.db2.gz JVMDQSQIARFGQB-DZGCQCFKSA-N 2 2 384.977 3.272 20 0 GGADLP Cc1cc[nH+]cc1CCC[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000564297986 566962201 /nfs/dbraw/zinc/96/22/01/566962201.db2.gz AJZKNSQPUZBNJM-UHFFFAOYSA-N 2 2 376.298 3.105 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H](C)[C@H](C)[NH3+])CC1 ZINC000493951105 566963860 /nfs/dbraw/zinc/96/38/60/566963860.db2.gz AARSEVMXUJBYNB-JKIFEVAISA-N 2 2 382.346 3.028 20 0 GGADLP CN(C(=O)Nc1ccc(Br)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681371226 566971005 /nfs/dbraw/zinc/97/10/05/566971005.db2.gz KICWGRCMKLDCPB-KRWDZBQOSA-N 2 2 395.345 3.081 20 0 GGADLP CN(C(=O)Nc1ccc(Br)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681371226 566971011 /nfs/dbraw/zinc/97/10/11/566971011.db2.gz KICWGRCMKLDCPB-KRWDZBQOSA-N 2 2 395.345 3.081 20 0 GGADLP OC[C@@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)c(F)c1 ZINC000430137673 566989719 /nfs/dbraw/zinc/98/97/19/566989719.db2.gz LTJHYRSBRNJAKX-QGZVFWFLSA-N 2 2 394.288 3.275 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000494411397 566998264 /nfs/dbraw/zinc/99/82/64/566998264.db2.gz IULSVWJWOLRFLR-INIZCTEOSA-N 2 2 394.313 3.166 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CCC2 ZINC000584048330 567006523 /nfs/dbraw/zinc/00/65/23/567006523.db2.gz LUZSMYGPRGYVQS-ZIAGYGMSSA-N 2 2 384.307 3.405 20 0 GGADLP CC(=O)NCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(Cl)cc1Cl ZINC000584060823 567008597 /nfs/dbraw/zinc/00/85/97/567008597.db2.gz FBQWPILGBMLWIT-UHFFFAOYSA-N 2 2 383.323 3.298 20 0 GGADLP CC(=O)NCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(Cl)cc1Cl ZINC000584060823 567008617 /nfs/dbraw/zinc/00/86/17/567008617.db2.gz FBQWPILGBMLWIT-UHFFFAOYSA-N 2 2 383.323 3.298 20 0 GGADLP C[C@@](C[NH3+])([NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C1CC1 ZINC000430570662 567023219 /nfs/dbraw/zinc/02/32/19/567023219.db2.gz BVZWHJHHIDOBAT-AWEZNQCLSA-N 2 2 394.235 3.123 20 0 GGADLP Cn1c[nH+]cc1CCC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000584299779 567031701 /nfs/dbraw/zinc/03/17/01/567031701.db2.gz VIUVZPAHLWGSDD-UHFFFAOYSA-N 2 2 395.320 3.072 20 0 GGADLP CSC1(C[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)CC[NH+](C)CC1 ZINC000521016624 567036472 /nfs/dbraw/zinc/03/64/72/567036472.db2.gz PKDURAZWFRJELR-UHFFFAOYSA-N 3 2 397.386 3.322 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000430904243 567038237 /nfs/dbraw/zinc/03/82/37/567038237.db2.gz PVNKHVFZDHCOQR-IEBWSBKVSA-N 2 2 394.357 3.044 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430904084 567038740 /nfs/dbraw/zinc/03/87/40/567038740.db2.gz OCJHYVZTFGZXGT-RYQLBKOJSA-N 2 2 394.357 3.172 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000430904103 567038898 /nfs/dbraw/zinc/03/88/98/567038898.db2.gz OKEMLRHGCUOXOF-QGZVFWFLSA-N 2 2 382.346 3.044 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430952857 567042772 /nfs/dbraw/zinc/04/27/72/567042772.db2.gz FNBHWXSYDRAYOV-UHFFFAOYSA-N 2 2 392.231 3.145 20 0 GGADLP Brc1cccc(N2CC[C@H](C[NH2+]Cc3c[nH+]c4n3CCC4)C2)c1 ZINC000657329003 567045932 /nfs/dbraw/zinc/04/59/32/567045932.db2.gz GVGYHBWYDLNJJK-CQSZACIVSA-N 2 2 375.314 3.208 20 0 GGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc2c(cc1Br)OCCO2 ZINC000657320120 567046710 /nfs/dbraw/zinc/04/67/10/567046710.db2.gz SPFQHJWZWFMYJO-LLVKDONJSA-N 2 2 378.270 3.214 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000657361079 567052692 /nfs/dbraw/zinc/05/26/92/567052692.db2.gz ZJDWPAVODUERFR-UHFFFAOYSA-N 2 2 377.286 3.019 20 0 GGADLP Cc1c(Br)cncc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000657413669 567053940 /nfs/dbraw/zinc/05/39/40/567053940.db2.gz QFHZLLNXJUCFJN-INIZCTEOSA-N 2 2 390.329 3.300 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453107035 567054469 /nfs/dbraw/zinc/05/44/69/567054469.db2.gz HYKVCNGUELLGGI-QZTJIDSGSA-N 2 2 394.357 3.146 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000453107035 567054476 /nfs/dbraw/zinc/05/44/76/567054476.db2.gz HYKVCNGUELLGGI-QZTJIDSGSA-N 2 2 394.357 3.146 20 0 GGADLP CCC[NH2+][C@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000584589389 567057511 /nfs/dbraw/zinc/05/75/11/567057511.db2.gz OQROXTVBIDSZKQ-OAHLLOKOSA-N 2 2 393.329 3.063 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[C@@H](C)[N@@H+](C4CC4)C3)nc12 ZINC000545517459 567057602 /nfs/dbraw/zinc/05/76/02/567057602.db2.gz QSRMDXDURZPSTQ-CJNGLKHVSA-N 2 2 377.330 3.163 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[C@@H](C)[N@H+](C4CC4)C3)nc12 ZINC000545517459 567057606 /nfs/dbraw/zinc/05/76/06/567057606.db2.gz QSRMDXDURZPSTQ-CJNGLKHVSA-N 2 2 377.330 3.163 20 0 GGADLP O=C1[C@@H]([NH2+]Cc2c[nH+]c3n2CCC3)CCCN1c1ccc(Cl)cc1Cl ZINC000657448963 567058756 /nfs/dbraw/zinc/05/87/56/567058756.db2.gz YIMNKAOZOJIOET-HNNXBMFYSA-N 2 2 379.291 3.421 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C4CC4)C3)nc12 ZINC000545517460 567058818 /nfs/dbraw/zinc/05/88/18/567058818.db2.gz QSRMDXDURZPSTQ-CZUORRHYSA-N 2 2 377.330 3.163 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C4CC4)C3)nc12 ZINC000545517460 567058822 /nfs/dbraw/zinc/05/88/22/567058822.db2.gz QSRMDXDURZPSTQ-CZUORRHYSA-N 2 2 377.330 3.163 20 0 GGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Br)cc1OCCCO ZINC000657472262 567061106 /nfs/dbraw/zinc/06/11/06/567061106.db2.gz KZQGOHKANFNTBP-ZDUSSCGKSA-N 2 2 394.313 3.204 20 0 GGADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C1 ZINC000565367358 567062455 /nfs/dbraw/zinc/06/24/55/567062455.db2.gz LNEOBZLBGHYJAE-PBHICJAKSA-N 2 2 383.323 3.359 20 0 GGADLP COC(=O)c1coc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)c1 ZINC000545559697 567062917 /nfs/dbraw/zinc/06/29/17/567062917.db2.gz OZOIXLCUOIRACT-UHFFFAOYSA-N 2 2 392.253 3.117 20 0 GGADLP C[C@@H](Sc1ccccc1Cl)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495790139 567067073 /nfs/dbraw/zinc/06/70/73/567067073.db2.gz SJOMDDYKOFUXIZ-OAHLLOKOSA-N 2 2 383.989 3.305 20 0 GGADLP C[C@@H](Sc1ccccc1Cl)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495790139 567067076 /nfs/dbraw/zinc/06/70/76/567067076.db2.gz SJOMDDYKOFUXIZ-OAHLLOKOSA-N 2 2 383.989 3.305 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453269099 567070780 /nfs/dbraw/zinc/07/07/80/567070780.db2.gz QZZVOXQXGPDBPX-PKOBYXMFSA-N 2 2 381.358 3.207 20 0 GGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453269099 567070788 /nfs/dbraw/zinc/07/07/88/567070788.db2.gz QZZVOXQXGPDBPX-PKOBYXMFSA-N 2 2 381.358 3.207 20 0 GGADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC000565471881 567070648 /nfs/dbraw/zinc/07/06/48/567070648.db2.gz RSWNOVOBDBMSAY-YOEHRIQHSA-N 2 2 386.323 3.150 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453292116 567073108 /nfs/dbraw/zinc/07/31/08/567073108.db2.gz OLQJMYDRLWNNEJ-MJGOQNOKSA-N 2 2 381.358 3.207 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453292116 567073112 /nfs/dbraw/zinc/07/31/12/567073112.db2.gz OLQJMYDRLWNNEJ-MJGOQNOKSA-N 2 2 381.358 3.207 20 0 GGADLP Cc1cc(Br)cn2cc(CNc3[nH+]c4ccc(F)cc4n3C)[nH+]c12 ZINC000431414672 567079553 /nfs/dbraw/zinc/07/95/53/567079553.db2.gz NWHWHTIGFFBOAS-UHFFFAOYSA-N 2 2 388.244 3.465 20 0 GGADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccsc1 ZINC000585747593 567085598 /nfs/dbraw/zinc/08/55/98/567085598.db2.gz VPIPOSGODAHZON-UHFFFAOYSA-N 2 2 375.563 3.367 20 0 GGADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccsc1 ZINC000585747593 567085606 /nfs/dbraw/zinc/08/56/06/567085606.db2.gz VPIPOSGODAHZON-UHFFFAOYSA-N 2 2 375.563 3.367 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCC(=O)Nc1cccc(Br)c1)CCC2 ZINC000565655108 567085865 /nfs/dbraw/zinc/08/58/65/567085865.db2.gz QITXBLLFVUTRDD-CQSZACIVSA-N 2 2 391.313 3.450 20 0 GGADLP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CC2 ZINC000657753112 567092768 /nfs/dbraw/zinc/09/27/68/567092768.db2.gz UGEOXTYCXSKBQS-DLBZAZTESA-N 2 2 379.342 3.149 20 0 GGADLP Fc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751172 567093572 /nfs/dbraw/zinc/09/35/72/567093572.db2.gz GPQPZVPKBTXUAL-LBPRGKRZSA-N 2 2 375.257 3.070 20 0 GGADLP Cc1cc(Br)c(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)s1 ZINC000453590482 567093895 /nfs/dbraw/zinc/09/38/95/567093895.db2.gz OMBQRLVBGYDIOV-UHFFFAOYSA-N 2 2 395.370 3.256 20 0 GGADLP Cc1cc(Br)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000453586314 567094295 /nfs/dbraw/zinc/09/42/95/567094295.db2.gz YGEZTSUDYGXLAT-CJNGLKHVSA-N 2 2 386.403 3.277 20 0 GGADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Br)c1 ZINC000683366504 567116673 /nfs/dbraw/zinc/11/66/73/567116673.db2.gz FSLVYUKJBMDBBH-BBRMVZONSA-N 2 2 389.297 3.157 20 0 GGADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Br)c1 ZINC000683366504 567116676 /nfs/dbraw/zinc/11/66/76/567116676.db2.gz FSLVYUKJBMDBBH-BBRMVZONSA-N 2 2 389.297 3.157 20 0 GGADLP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296316 567133861 /nfs/dbraw/zinc/13/38/61/567133861.db2.gz YTSXRUOKXQKNRO-BBRMVZONSA-N 2 2 385.321 3.362 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000566212280 567138992 /nfs/dbraw/zinc/13/89/92/567138992.db2.gz PHZDFPCREWHSBY-ZTFGCOKTSA-N 2 2 394.357 3.220 20 0 GGADLP Cc1ccc(CCC[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)c[nH+]1 ZINC000474267997 567153795 /nfs/dbraw/zinc/15/37/95/567153795.db2.gz RCMAIVCBUUJUJP-UHFFFAOYSA-N 2 2 377.286 3.051 20 0 GGADLP Cc1ccc(CCC[N@H+](C)CC(=O)Nc2ccc(Br)cn2)c[nH+]1 ZINC000474267997 567153800 /nfs/dbraw/zinc/15/38/00/567153800.db2.gz RCMAIVCBUUJUJP-UHFFFAOYSA-N 2 2 377.286 3.051 20 0 GGADLP [NH3+]CCC1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000566407336 567155757 /nfs/dbraw/zinc/15/57/57/567155757.db2.gz RMJLWWRKIBTLQU-SFHVURJKSA-N 2 2 394.357 3.173 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)ccc(I)c1F ZINC000589198091 567164977 /nfs/dbraw/zinc/16/49/77/567164977.db2.gz XHEUMOGQEMBQDL-UHFFFAOYSA-N 2 2 391.203 3.288 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)ccc(I)c1F ZINC000589198091 567164983 /nfs/dbraw/zinc/16/49/83/567164983.db2.gz XHEUMOGQEMBQDL-UHFFFAOYSA-N 2 2 391.203 3.288 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000523670716 567165654 /nfs/dbraw/zinc/16/56/54/567165654.db2.gz RNCWDTSFJMXIDI-CQSZACIVSA-N 2 2 382.346 3.358 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@@H](C)C1 ZINC000546932656 567171770 /nfs/dbraw/zinc/17/17/70/567171770.db2.gz XMPGCCCAXSSLQE-YOEHRIQHSA-N 3 2 379.346 3.268 20 0 GGADLP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@@H](C)C1 ZINC000546932656 567171775 /nfs/dbraw/zinc/17/17/75/567171775.db2.gz XMPGCCCAXSSLQE-YOEHRIQHSA-N 3 2 379.346 3.268 20 0 GGADLP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000474479170 567174343 /nfs/dbraw/zinc/17/43/43/567174343.db2.gz QTLRGQZKXKNRTE-KBPBESRZSA-N 2 2 383.277 3.487 20 0 GGADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000474571207 567179058 /nfs/dbraw/zinc/17/90/58/567179058.db2.gz ZCNFCCHOAWKLPO-SFHVURJKSA-N 2 2 394.357 3.139 20 0 GGADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000474571207 567179062 /nfs/dbraw/zinc/17/90/62/567179062.db2.gz ZCNFCCHOAWKLPO-SFHVURJKSA-N 2 2 394.357 3.139 20 0 GGADLP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000474571206 567180002 /nfs/dbraw/zinc/18/00/02/567180002.db2.gz ZCNFCCHOAWKLPO-GOSISDBHSA-N 2 2 394.357 3.139 20 0 GGADLP CN(CC[N@@H+](C)C1CC1)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000474571206 567180013 /nfs/dbraw/zinc/18/00/13/567180013.db2.gz ZCNFCCHOAWKLPO-GOSISDBHSA-N 2 2 394.357 3.139 20 0 GGADLP COC(=O)c1cccc(Br)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000432814813 567193052 /nfs/dbraw/zinc/19/30/52/567193052.db2.gz BIHMIJYEBACPAS-UHFFFAOYSA-N 2 2 378.270 3.338 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)C1 ZINC000547279811 567194313 /nfs/dbraw/zinc/19/43/13/567194313.db2.gz XLDQPDDKCMYDPO-RTBURBONSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Br)cc2)c2ccccc2F)C1 ZINC000547279811 567194320 /nfs/dbraw/zinc/19/43/20/567194320.db2.gz XLDQPDDKCMYDPO-RTBURBONSA-N 2 2 393.300 3.334 20 0 GGADLP Cc1ccc(CCC[NH2+]CCNC(=O)c2cccc(Br)c2)c[nH+]1 ZINC000474708867 567194721 /nfs/dbraw/zinc/19/47/21/567194721.db2.gz GQQNDRMADLSMMW-UHFFFAOYSA-N 2 2 376.298 3.105 20 0 GGADLP C[C@H](O)C[NH+]1CCN(c2cc(C3CC3)[nH+]c3c(Br)cccc23)CC1 ZINC000432837767 567195834 /nfs/dbraw/zinc/19/58/34/567195834.db2.gz WBEUGZWAIYWNAY-ZDUSSCGKSA-N 2 2 390.325 3.378 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000547280260 567196412 /nfs/dbraw/zinc/19/64/12/567196412.db2.gz UPLUDLMDLKHAFT-SGTLLEGYSA-N 2 2 383.323 3.205 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000547280260 567196420 /nfs/dbraw/zinc/19/64/20/567196420.db2.gz UPLUDLMDLKHAFT-SGTLLEGYSA-N 2 2 383.323 3.205 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000547280258 567197032 /nfs/dbraw/zinc/19/70/32/567197032.db2.gz UPLUDLMDLKHAFT-KPZWWZAWSA-N 2 2 383.323 3.205 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000547280258 567197035 /nfs/dbraw/zinc/19/70/35/567197035.db2.gz UPLUDLMDLKHAFT-KPZWWZAWSA-N 2 2 383.323 3.205 20 0 GGADLP Cc1ccc(CCC[NH2+]C[C@H](O)COc2ccccc2Br)c[nH+]1 ZINC000474804801 567200595 /nfs/dbraw/zinc/20/05/95/567200595.db2.gz AGKJGKFLXOTQNP-INIZCTEOSA-N 2 2 379.298 3.115 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCOc2cccc(Cl)c2Cl)CC1 ZINC000547326277 567200718 /nfs/dbraw/zinc/20/07/18/567200718.db2.gz KQKCQPSKEAIZIW-UHFFFAOYSA-N 2 2 389.323 3.379 20 0 GGADLP C[N@H+](C[C@H](O)C[NH2+]CCOc1ccc2cc(Br)ccc2c1)C1CC1 ZINC000566908110 567201541 /nfs/dbraw/zinc/20/15/41/567201541.db2.gz WWWSLZNGBCAZNM-GOSISDBHSA-N 2 2 393.325 3.026 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH2+]CCOc1ccc2cc(Br)ccc2c1)C1CC1 ZINC000566908110 567201549 /nfs/dbraw/zinc/20/15/49/567201549.db2.gz WWWSLZNGBCAZNM-GOSISDBHSA-N 2 2 393.325 3.026 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH2+]CCOc1ccc2cc(Br)ccc2c1)C1CC1 ZINC000566908111 567201916 /nfs/dbraw/zinc/20/19/16/567201916.db2.gz WWWSLZNGBCAZNM-SFHVURJKSA-N 2 2 393.325 3.026 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOc1ccc2cc(Br)ccc2c1)C1CC1 ZINC000566908111 567201921 /nfs/dbraw/zinc/20/19/21/567201921.db2.gz WWWSLZNGBCAZNM-SFHVURJKSA-N 2 2 393.325 3.026 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)ccc(I)c2F)CC[N@@H+]1C ZINC000474817415 567202392 /nfs/dbraw/zinc/20/23/92/567202392.db2.gz OGYVTHAGXRMEFP-VHSXEESVSA-N 2 2 380.220 3.142 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2c(F)ccc(I)c2F)CC[N@H+]1C ZINC000474817415 567202396 /nfs/dbraw/zinc/20/23/96/567202396.db2.gz OGYVTHAGXRMEFP-VHSXEESVSA-N 2 2 380.220 3.142 20 0 GGADLP C[C@H](CCc1ccc(I)cc1)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000474922222 567209491 /nfs/dbraw/zinc/20/94/91/567209491.db2.gz GMUIHYANZAVXNF-CJNGLKHVSA-N 2 2 395.288 3.413 20 0 GGADLP C[C@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000474922223 567209734 /nfs/dbraw/zinc/20/97/34/567209734.db2.gz GMUIHYANZAVXNF-CZUORRHYSA-N 2 2 395.288 3.413 20 0 GGADLP Cc1cccn2c(C[NH2+]Cc3cc(Br)c4c(c3)OCCO4)c[nH+]c12 ZINC000524689718 567210328 /nfs/dbraw/zinc/21/03/28/567210328.db2.gz ISHKQEQEKPZPEX-UHFFFAOYSA-N 2 2 388.265 3.466 20 0 GGADLP Cc1c[nH+]ccc1CC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000547504079 567215410 /nfs/dbraw/zinc/21/54/10/567215410.db2.gz UULKDTYWZKQYCV-MRXNPFEDSA-N 2 2 395.322 3.203 20 0 GGADLP COc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(F)cc1Br ZINC000638061259 567230755 /nfs/dbraw/zinc/23/07/55/567230755.db2.gz CWSJJURDIXFISJ-UHFFFAOYSA-N 2 2 389.309 3.139 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(Br)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000525461388 567249578 /nfs/dbraw/zinc/24/95/78/567249578.db2.gz RRWCPRWJTOGIMH-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(Br)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461388 567249586 /nfs/dbraw/zinc/24/95/86/567249586.db2.gz RRWCPRWJTOGIMH-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP Cn1c[nH+]cc1CCC[N@@H+]1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000567516949 567253862 /nfs/dbraw/zinc/25/38/62/567253862.db2.gz NKFUDRODZPDGTF-KRWDZBQOSA-N 2 2 382.277 3.328 20 0 GGADLP Cn1c[nH+]cc1CCC[N@H+]1CCO[C@H](c2ccc(F)c(Br)c2)C1 ZINC000567516949 567253873 /nfs/dbraw/zinc/25/38/73/567253873.db2.gz NKFUDRODZPDGTF-KRWDZBQOSA-N 2 2 382.277 3.328 20 0 GGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000567598734 567259605 /nfs/dbraw/zinc/25/96/05/567259605.db2.gz LAOJEOLZNQXNLH-RDTXWAMCSA-N 2 2 386.323 3.150 20 0 GGADLP Cn1c[nH+]cc1C[NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000475615007 567262103 /nfs/dbraw/zinc/26/21/03/567262103.db2.gz INDPWOLUWLJFFJ-ZDUSSCGKSA-N 2 2 378.192 3.025 20 0 GGADLP Brc1ccc2oc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)nc2c1 ZINC000638669566 567263906 /nfs/dbraw/zinc/26/39/06/567263906.db2.gz SPJPKPAXWKEORQ-CYBMUJFWSA-N 2 2 394.313 3.181 20 0 GGADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638752243 567267836 /nfs/dbraw/zinc/26/78/36/567267836.db2.gz WLYPVGNBXIXJLX-CVEARBPZSA-N 2 2 394.313 3.058 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412635 567272167 /nfs/dbraw/zinc/27/21/67/567272167.db2.gz URLWXTQAIOADBI-CABCVRRESA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412635 567272173 /nfs/dbraw/zinc/27/21/73/567272173.db2.gz URLWXTQAIOADBI-CABCVRRESA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412635 567272178 /nfs/dbraw/zinc/27/21/78/567272178.db2.gz URLWXTQAIOADBI-CABCVRRESA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412635 567272184 /nfs/dbraw/zinc/27/21/84/567272184.db2.gz URLWXTQAIOADBI-CABCVRRESA-N 2 2 378.567 3.294 20 0 GGADLP COc1ccc(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000685457890 567276136 /nfs/dbraw/zinc/27/61/36/567276136.db2.gz RORNBAKDACJFOQ-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)c1 ZINC000685457890 567276141 /nfs/dbraw/zinc/27/61/41/567276141.db2.gz RORNBAKDACJFOQ-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP COc1cc(C[N@H+](C)CCC[NH+](C)C)cc(Br)c1OC(F)F ZINC000685452073 567276332 /nfs/dbraw/zinc/27/63/32/567276332.db2.gz TTYQXLVKZQDMTB-UHFFFAOYSA-N 2 2 381.261 3.443 20 0 GGADLP COc1cc(C[N@@H+](C)CCC[NH+](C)C)cc(Br)c1OC(F)F ZINC000685452073 567276338 /nfs/dbraw/zinc/27/63/38/567276338.db2.gz TTYQXLVKZQDMTB-UHFFFAOYSA-N 2 2 381.261 3.443 20 0 GGADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(Cl)cc1Br ZINC000638987426 567280958 /nfs/dbraw/zinc/28/09/58/567280958.db2.gz IMOWGMQGXYIGFR-UHFFFAOYSA-N 2 2 395.688 3.159 20 0 GGADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccc(Br)c1Cl ZINC000638985135 567281482 /nfs/dbraw/zinc/28/14/82/567281482.db2.gz ZVYZZYDZMYPGHS-UHFFFAOYSA-N 2 2 395.688 3.159 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000526051320 567286268 /nfs/dbraw/zinc/28/62/68/567286268.db2.gz GDIZXHLOWJZZBL-ZDUSSCGKSA-N 2 2 375.519 3.497 20 0 GGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OC(F)F ZINC000567870502 567286654 /nfs/dbraw/zinc/28/66/54/567286654.db2.gz FDPMHHFAIHUOCF-YPMHNXCESA-N 2 2 375.257 3.400 20 0 GGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1OC(F)F ZINC000567870502 567286660 /nfs/dbraw/zinc/28/66/60/567286660.db2.gz FDPMHHFAIHUOCF-YPMHNXCESA-N 2 2 375.257 3.400 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894768 567288631 /nfs/dbraw/zinc/28/86/31/567288631.db2.gz SPDKQZXOOORRQN-CHWSQXEVSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894768 567288639 /nfs/dbraw/zinc/28/86/39/567288639.db2.gz SPDKQZXOOORRQN-CHWSQXEVSA-N 2 2 386.323 3.008 20 0 GGADLP O=c1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c[nH]1 ZINC000639175509 567292481 /nfs/dbraw/zinc/29/24/81/567292481.db2.gz PGGMJWIFTNNJQL-UHFFFAOYSA-N 2 2 377.242 3.042 20 0 GGADLP O=c1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)c[nH]1 ZINC000639175509 567292487 /nfs/dbraw/zinc/29/24/87/567292487.db2.gz PGGMJWIFTNNJQL-UHFFFAOYSA-N 2 2 377.242 3.042 20 0 GGADLP Brc1cccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660466623 567296968 /nfs/dbraw/zinc/29/69/68/567296968.db2.gz ADDNDKDNWIYPQR-KRWDZBQOSA-N 2 2 383.330 3.015 20 0 GGADLP Brc1cccc(OCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000660466623 567296973 /nfs/dbraw/zinc/29/69/73/567296973.db2.gz ADDNDKDNWIYPQR-KRWDZBQOSA-N 2 2 383.330 3.015 20 0 GGADLP CCC[NH+]1CCC(N(C)C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)CC1 ZINC000455858421 567311284 /nfs/dbraw/zinc/31/12/84/567311284.db2.gz BPDRVDRNVJHQSZ-UHFFFAOYSA-N 2 2 398.349 3.248 20 0 GGADLP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455866253 567314725 /nfs/dbraw/zinc/31/47/25/567314725.db2.gz MZMZAEOZYWLOJA-CYBMUJFWSA-N 2 2 398.349 3.106 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455866253 567314733 /nfs/dbraw/zinc/31/47/33/567314733.db2.gz MZMZAEOZYWLOJA-CYBMUJFWSA-N 2 2 398.349 3.106 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652347 567315394 /nfs/dbraw/zinc/31/53/94/567315394.db2.gz IUPKUNJTXQSIRL-KXBFYZLASA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652347 567315398 /nfs/dbraw/zinc/31/53/98/567315398.db2.gz IUPKUNJTXQSIRL-KXBFYZLASA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652347 567315404 /nfs/dbraw/zinc/31/54/04/567315404.db2.gz IUPKUNJTXQSIRL-KXBFYZLASA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652347 567315407 /nfs/dbraw/zinc/31/54/07/567315407.db2.gz IUPKUNJTXQSIRL-KXBFYZLASA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652346 567315930 /nfs/dbraw/zinc/31/59/30/567315930.db2.gz IUPKUNJTXQSIRL-HNAYVOBHSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652346 567315931 /nfs/dbraw/zinc/31/59/31/567315931.db2.gz IUPKUNJTXQSIRL-HNAYVOBHSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652346 567315936 /nfs/dbraw/zinc/31/59/36/567315936.db2.gz IUPKUNJTXQSIRL-HNAYVOBHSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652346 567315941 /nfs/dbraw/zinc/31/59/41/567315941.db2.gz IUPKUNJTXQSIRL-HNAYVOBHSA-N 2 2 394.357 3.044 20 0 GGADLP CN(C)c1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[nH+]cc1Br ZINC000455871354 567316180 /nfs/dbraw/zinc/31/61/80/567316180.db2.gz UHWXCSCIIVLBTC-UHFFFAOYSA-N 2 2 398.349 3.341 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455873600 567316301 /nfs/dbraw/zinc/31/63/01/567316301.db2.gz XZVIFOUHUJXFTH-CYBMUJFWSA-N 2 2 398.349 3.010 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455873600 567316308 /nfs/dbraw/zinc/31/63/08/567316308.db2.gz XZVIFOUHUJXFTH-CYBMUJFWSA-N 2 2 398.349 3.010 20 0 GGADLP CN(C)c1cc(NC(=O)N2CCC([NH+]3CCCC3)CC2)[nH+]cc1Br ZINC000455871345 567316481 /nfs/dbraw/zinc/31/64/81/567316481.db2.gz UEQMBZQUFOHBPF-UHFFFAOYSA-N 2 2 396.333 3.002 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655170 567316661 /nfs/dbraw/zinc/31/66/61/567316661.db2.gz LDQJGFYLUBHAQY-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655170 567316668 /nfs/dbraw/zinc/31/66/68/567316668.db2.gz LDQJGFYLUBHAQY-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655170 567316672 /nfs/dbraw/zinc/31/66/72/567316672.db2.gz LDQJGFYLUBHAQY-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655170 567316676 /nfs/dbraw/zinc/31/66/76/567316676.db2.gz LDQJGFYLUBHAQY-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657279 567318155 /nfs/dbraw/zinc/31/81/55/567318155.db2.gz OYNYKXABXGEKIL-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657279 567318156 /nfs/dbraw/zinc/31/81/56/567318156.db2.gz OYNYKXABXGEKIL-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657279 567318157 /nfs/dbraw/zinc/31/81/57/567318157.db2.gz OYNYKXABXGEKIL-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657279 567318158 /nfs/dbraw/zinc/31/81/58/567318158.db2.gz OYNYKXABXGEKIL-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC[C@@H](C)[NH3+])CC1 ZINC000434681349 567320761 /nfs/dbraw/zinc/32/07/61/567320761.db2.gz NKQALINOBJPNRA-PBHICJAKSA-N 2 2 382.346 3.172 20 0 GGADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000592431678 567337389 /nfs/dbraw/zinc/33/73/89/567337389.db2.gz XWFXWPLFJYMSBA-UHFFFAOYSA-N 2 2 399.329 3.013 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)NCc1ccc(Cl)s1 ZINC000548664978 567341236 /nfs/dbraw/zinc/34/12/36/567341236.db2.gz ISQVPIHTAUEICT-CYBMUJFWSA-N 2 2 378.929 3.040 20 0 GGADLP O=C(C[N@H+]1CC[C@@H](n2c[nH+]c3c2CCCC3)C1)NCc1ccc(Cl)s1 ZINC000548664978 567341241 /nfs/dbraw/zinc/34/12/41/567341241.db2.gz ISQVPIHTAUEICT-CYBMUJFWSA-N 2 2 378.929 3.040 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(=O)Nc3ccc(Br)c(C)c3)n2c1 ZINC000435194135 567346634 /nfs/dbraw/zinc/34/66/34/567346634.db2.gz PYXOLTHTBJUOEN-UHFFFAOYSA-N 2 2 387.281 3.442 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)CCC2 ZINC000568751118 567353445 /nfs/dbraw/zinc/35/34/45/567353445.db2.gz YRKUVIILTFAURY-UKRRQHHQSA-N 2 2 384.307 3.405 20 0 GGADLP C[NH+]1CCN(c2ccc(NCc3ncc(Cl)cc3Br)[nH+]c2)CC1 ZINC000527642574 567354770 /nfs/dbraw/zinc/35/47/70/567354770.db2.gz PTOPAMKTPHKKCP-UHFFFAOYSA-N 2 2 396.720 3.256 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(F)ccc(Br)c1F ZINC000500984826 567356809 /nfs/dbraw/zinc/35/68/09/567356809.db2.gz PBICFDDZOMAQDO-UHFFFAOYSA-N 2 2 390.316 3.185 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(F)ccc(Br)c1F ZINC000500984826 567356814 /nfs/dbraw/zinc/35/68/14/567356814.db2.gz PBICFDDZOMAQDO-UHFFFAOYSA-N 2 2 390.316 3.185 20 0 GGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000568819008 567359452 /nfs/dbraw/zinc/35/94/52/567359452.db2.gz AAYMPNZBRMFVMR-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000568819008 567359453 /nfs/dbraw/zinc/35/94/53/567359453.db2.gz AAYMPNZBRMFVMR-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435391320 567360040 /nfs/dbraw/zinc/36/00/40/567360040.db2.gz WBVDSGVPXNERSY-AWEZNQCLSA-N 2 2 376.298 3.204 20 0 GGADLP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435391320 567360048 /nfs/dbraw/zinc/36/00/48/567360048.db2.gz WBVDSGVPXNERSY-AWEZNQCLSA-N 2 2 376.298 3.204 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527672516 567360499 /nfs/dbraw/zinc/36/04/99/567360499.db2.gz KLQXKDLAFUHLKF-ZWNOBZJWSA-N 2 2 381.343 3.473 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527672516 567360504 /nfs/dbraw/zinc/36/05/04/567360504.db2.gz KLQXKDLAFUHLKF-ZWNOBZJWSA-N 2 2 381.343 3.473 20 0 GGADLP Cn1ccnc1C[N@H+](Cc1ccc(Br)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435421190 567360639 /nfs/dbraw/zinc/36/06/39/567360639.db2.gz GOSVDOLVKYFRRE-KRWDZBQOSA-N 2 2 389.341 3.327 20 0 GGADLP Cn1ccnc1C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435421190 567360643 /nfs/dbraw/zinc/36/06/43/567360643.db2.gz GOSVDOLVKYFRRE-KRWDZBQOSA-N 2 2 389.341 3.327 20 0 GGADLP Cc1ncsc1CN(Cc1cn2cc(Cl)ccc2[nH+]1)C[C@H]1CC[NH2+]C1 ZINC000435421999 567360723 /nfs/dbraw/zinc/36/07/23/567360723.db2.gz KFIHQRKYQMPUES-AWEZNQCLSA-N 2 2 375.929 3.364 20 0 GGADLP C[NH+](C)CCOc1cc(C[NH2+]Cc2ncc(Cl)cc2Br)ccn1 ZINC000527689237 567361077 /nfs/dbraw/zinc/36/10/77/567361077.db2.gz WZXLMNIUOYPGLB-UHFFFAOYSA-N 2 2 399.720 3.123 20 0 GGADLP Brc1ccc(C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)nc1 ZINC000435419925 567361092 /nfs/dbraw/zinc/36/10/92/567361092.db2.gz AQANOXDXSZTDKK-HNNXBMFYSA-N 2 2 393.354 3.445 20 0 GGADLP Brc1ccc(C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)nc1 ZINC000435419925 567361099 /nfs/dbraw/zinc/36/10/99/567361099.db2.gz AQANOXDXSZTDKK-HNNXBMFYSA-N 2 2 393.354 3.445 20 0 GGADLP Cn1c[nH+]cc1[C@H]1C[C@H]([NH2+]Cc2ncc(Cl)cc2Br)CCO1 ZINC000527693425 567363232 /nfs/dbraw/zinc/36/32/32/567363232.db2.gz DPIAYJJOKDLSOU-IAQYHMDHSA-N 2 2 385.693 3.241 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1sccc1Br)[C@@H]1CC12CC[NH2+]CC2 ZINC000435440315 567367729 /nfs/dbraw/zinc/36/77/29/567367729.db2.gz VOAVYOLKJKWKND-OAHLLOKOSA-N 2 2 395.370 3.388 20 0 GGADLP CC[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629882 567381281 /nfs/dbraw/zinc/38/12/81/567381281.db2.gz VGYKFXDZFDVNDD-ZDUSSCGKSA-N 2 2 375.847 3.344 20 0 GGADLP CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435629882 567381287 /nfs/dbraw/zinc/38/12/87/567381287.db2.gz VGYKFXDZFDVNDD-ZDUSSCGKSA-N 2 2 375.847 3.344 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000528318058 567409477 /nfs/dbraw/zinc/40/94/77/567409477.db2.gz WINRYLOUJFJDKR-UHFFFAOYSA-N 2 2 384.351 3.211 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000569577383 567415536 /nfs/dbraw/zinc/41/55/36/567415536.db2.gz NFOZQNYTIQTZBY-IJLUTSLNSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000569577383 567415541 /nfs/dbraw/zinc/41/55/41/567415541.db2.gz NFOZQNYTIQTZBY-IJLUTSLNSA-N 2 2 375.822 3.227 20 0 GGADLP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000662282651 567424683 /nfs/dbraw/zinc/42/46/83/567424683.db2.gz PQBMWONRAKBCIE-CQSZACIVSA-N 2 2 398.736 3.298 20 0 GGADLP C[N@@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CC[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000662513138 567443474 /nfs/dbraw/zinc/44/34/74/567443474.db2.gz ZJIGSWOZXZHRKI-CRAIPNDOSA-N 2 2 375.925 3.222 20 0 GGADLP C[N@H+]1CC[C@@H](NC(=O)c2cc3c(s2)CC[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000662513138 567443479 /nfs/dbraw/zinc/44/34/79/567443479.db2.gz ZJIGSWOZXZHRKI-CRAIPNDOSA-N 2 2 375.925 3.222 20 0 GGADLP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000569970249 567448207 /nfs/dbraw/zinc/44/82/07/567448207.db2.gz VZHJHPOUQQHQSM-MAUKXSAKSA-N 2 2 394.357 3.044 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2ncc(Br)cn2)CC1 ZINC000550714562 567458342 /nfs/dbraw/zinc/45/83/42/567458342.db2.gz YYPUUJTZEQAUHQ-OAHLLOKOSA-N 2 2 399.377 3.371 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ncc(Br)cn2)CC1 ZINC000550714562 567458344 /nfs/dbraw/zinc/45/83/44/567458344.db2.gz YYPUUJTZEQAUHQ-OAHLLOKOSA-N 2 2 399.377 3.371 20 0 GGADLP C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000570103870 567459089 /nfs/dbraw/zinc/45/90/89/567459089.db2.gz DFODLKIKLKXKNE-MRXNPFEDSA-N 2 2 391.357 3.494 20 0 GGADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000502999212 567463307 /nfs/dbraw/zinc/46/33/07/567463307.db2.gz VXIGDFQKJOARJI-HXUWFJFHSA-N 2 2 389.337 3.484 20 0 GGADLP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000502999212 567463313 /nfs/dbraw/zinc/46/33/13/567463313.db2.gz VXIGDFQKJOARJI-HXUWFJFHSA-N 2 2 389.337 3.484 20 0 GGADLP C[C@@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[N@H+](C)C1CC1 ZINC000503017960 567465252 /nfs/dbraw/zinc/46/52/52/567465252.db2.gz DPFQOEBGKNAVFL-KSSFIOAISA-N 2 2 394.357 3.185 20 0 GGADLP C[C@@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[N@@H+](C)C1CC1 ZINC000503017960 567465257 /nfs/dbraw/zinc/46/52/57/567465257.db2.gz DPFQOEBGKNAVFL-KSSFIOAISA-N 2 2 394.357 3.185 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NC1(c2ccc(Br)cc2)CCCCC1 ZINC000662847592 567465711 /nfs/dbraw/zinc/46/57/11/567465711.db2.gz IHLKBJDHQSERFZ-MRXNPFEDSA-N 2 2 382.346 3.004 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000662884826 567469042 /nfs/dbraw/zinc/46/90/42/567469042.db2.gz ZCZJXVCBPHREBB-SJLPKXTDSA-N 2 2 377.941 3.155 20 0 GGADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503352709 567481795 /nfs/dbraw/zinc/48/17/95/567481795.db2.gz DIMGPKXHMVGJFY-ROUUACIJSA-N 2 2 394.357 3.187 20 0 GGADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503352709 567481800 /nfs/dbraw/zinc/48/18/00/567481800.db2.gz DIMGPKXHMVGJFY-ROUUACIJSA-N 2 2 394.357 3.187 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000663305273 567495613 /nfs/dbraw/zinc/49/56/13/567495613.db2.gz WSCAVHLASKNMMO-SWLSCSKDSA-N 2 2 386.323 3.163 20 0 GGADLP Brc1ccn2cc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)nc2c1 ZINC000663344205 567498471 /nfs/dbraw/zinc/49/84/71/567498471.db2.gz PEAUXXNGNQPNQZ-OAHLLOKOSA-N 2 2 377.330 3.308 20 0 GGADLP Brc1ccn2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)nc2c1 ZINC000663344205 567498473 /nfs/dbraw/zinc/49/84/73/567498473.db2.gz PEAUXXNGNQPNQZ-OAHLLOKOSA-N 2 2 377.330 3.308 20 0 GGADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663440695 567508721 /nfs/dbraw/zinc/50/87/21/567508721.db2.gz PNIQUJWVILTUSH-GOEBONIOSA-N 2 2 384.387 3.212 20 0 GGADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+][C@@H]1CCCSc2ccc(Br)cc21 ZINC000663440695 567508726 /nfs/dbraw/zinc/50/87/26/567508726.db2.gz PNIQUJWVILTUSH-GOEBONIOSA-N 2 2 384.387 3.212 20 0 GGADLP COC[C@]1(C[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000643531973 567511374 /nfs/dbraw/zinc/51/13/74/567511374.db2.gz LFHPNFVMLBTLRA-OKZBNKHCSA-N 2 2 383.330 3.027 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479289361 567522249 /nfs/dbraw/zinc/52/22/49/567522249.db2.gz VYEFMZYVGUOUIB-RTBURBONSA-N 2 2 375.310 3.195 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479289361 567522259 /nfs/dbraw/zinc/52/22/59/567522259.db2.gz VYEFMZYVGUOUIB-RTBURBONSA-N 2 2 375.310 3.195 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479289360 567522317 /nfs/dbraw/zinc/52/23/17/567522317.db2.gz VYEFMZYVGUOUIB-RBUKOAKNSA-N 2 2 375.310 3.195 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479289360 567522324 /nfs/dbraw/zinc/52/23/24/567522324.db2.gz VYEFMZYVGUOUIB-RBUKOAKNSA-N 2 2 375.310 3.195 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479289358 567522625 /nfs/dbraw/zinc/52/26/25/567522625.db2.gz VYEFMZYVGUOUIB-MOPGFXCFSA-N 2 2 375.310 3.195 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2)C1 ZINC000479289358 567522632 /nfs/dbraw/zinc/52/26/32/567522632.db2.gz VYEFMZYVGUOUIB-MOPGFXCFSA-N 2 2 375.310 3.195 20 0 GGADLP C[NH+](C)CCOC1CC[NH+](Cc2ncc(Cl)cc2Br)CC1 ZINC000529528752 567525679 /nfs/dbraw/zinc/52/56/79/567525679.db2.gz VFTRJTHNDKWCJE-UHFFFAOYSA-N 2 2 376.726 3.040 20 0 GGADLP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479335035 567526132 /nfs/dbraw/zinc/52/61/32/567526132.db2.gz KHLZPXMSRJINHB-GFCCVEGCSA-N 2 2 394.368 3.167 20 0 GGADLP Cc1cc(CO)cc(NCCc2cn3cc(Br)cc(C)c3[nH+]2)[nH+]1 ZINC000663796231 567532147 /nfs/dbraw/zinc/53/21/47/567532147.db2.gz AHZRYOQPUXTRGQ-UHFFFAOYSA-N 2 2 375.270 3.256 20 0 GGADLP C[NH+](C)C1(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC1 ZINC000438519793 567534424 /nfs/dbraw/zinc/53/44/24/567534424.db2.gz TYOOWBNSJXARGJ-QGZVFWFLSA-N 2 2 394.357 3.187 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(Br)c1 ZINC000551786855 567536410 /nfs/dbraw/zinc/53/64/10/567536410.db2.gz FOBLUMKFZMIUPY-UHFFFAOYSA-N 2 2 381.314 3.200 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000551805984 567537839 /nfs/dbraw/zinc/53/78/39/567537839.db2.gz GJVVMYNVZJYMAZ-AWEZNQCLSA-N 2 2 383.330 3.399 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000551805984 567537845 /nfs/dbraw/zinc/53/78/45/567537845.db2.gz GJVVMYNVZJYMAZ-AWEZNQCLSA-N 2 2 383.330 3.399 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000551805984 567537854 /nfs/dbraw/zinc/53/78/54/567537854.db2.gz GJVVMYNVZJYMAZ-AWEZNQCLSA-N 2 2 383.330 3.399 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000551805984 567537858 /nfs/dbraw/zinc/53/78/58/567537858.db2.gz GJVVMYNVZJYMAZ-AWEZNQCLSA-N 2 2 383.330 3.399 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C)c1sccc1Br ZINC000551810544 567537987 /nfs/dbraw/zinc/53/79/87/567537987.db2.gz LMCLXJVBUFFARO-COPLHBTASA-N 2 2 397.342 3.114 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000571162271 567542316 /nfs/dbraw/zinc/54/23/16/567542316.db2.gz OBDLAUTXJCHBLP-QGZVFWFLSA-N 2 2 394.357 3.173 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000571175774 567542805 /nfs/dbraw/zinc/54/28/05/567542805.db2.gz MNHWAYZAVRZCAI-OCCSQVGLSA-N 2 2 381.307 3.394 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)c(Cl)c1 ZINC000571175774 567542810 /nfs/dbraw/zinc/54/28/10/567542810.db2.gz MNHWAYZAVRZCAI-OCCSQVGLSA-N 2 2 381.307 3.394 20 0 GGADLP O[C@@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1ccc(Cl)c(Cl)c1 ZINC000644518546 567554571 /nfs/dbraw/zinc/55/45/71/567554571.db2.gz QYXIHGFTLSNMKV-AWEZNQCLSA-N 2 2 384.307 3.098 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644532702 567556932 /nfs/dbraw/zinc/55/69/32/567556932.db2.gz JOJOWNIJKNWDPM-SFHVURJKSA-N 2 2 393.325 3.040 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644532702 567556933 /nfs/dbraw/zinc/55/69/33/567556933.db2.gz JOJOWNIJKNWDPM-SFHVURJKSA-N 2 2 393.325 3.040 20 0 GGADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000644531914 567556994 /nfs/dbraw/zinc/55/69/94/567556994.db2.gz DPUMEPAHAOIMCJ-INIZCTEOSA-N 2 2 381.289 3.171 20 0 GGADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(Br)c(F)c1 ZINC000644531914 567556995 /nfs/dbraw/zinc/55/69/95/567556995.db2.gz DPUMEPAHAOIMCJ-INIZCTEOSA-N 2 2 381.289 3.171 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cccc(CNc3cc[nH+]cc3Br)c2)CCO1 ZINC000571458750 567563618 /nfs/dbraw/zinc/56/36/18/567563618.db2.gz BMXQFSRCBIPOHF-CQSZACIVSA-N 2 2 376.298 3.099 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cccc(CNc3cc[nH+]cc3Br)c2)CCO1 ZINC000571458750 567563624 /nfs/dbraw/zinc/56/36/24/567563624.db2.gz BMXQFSRCBIPOHF-CQSZACIVSA-N 2 2 376.298 3.099 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000571445700 567563713 /nfs/dbraw/zinc/56/37/13/567563713.db2.gz NAAZWDPGAYZFNU-WOPDTQHZSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000571445700 567563719 /nfs/dbraw/zinc/56/37/19/567563719.db2.gz NAAZWDPGAYZFNU-WOPDTQHZSA-N 2 2 375.822 3.227 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(Br)c1 ZINC000595505025 567567734 /nfs/dbraw/zinc/56/77/34/567567734.db2.gz PLHXJUDQSVULBQ-SFHVURJKSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c(Br)c1 ZINC000595505025 567567739 /nfs/dbraw/zinc/56/77/39/567567739.db2.gz PLHXJUDQSVULBQ-SFHVURJKSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c(Br)c1 ZINC000595505025 567567744 /nfs/dbraw/zinc/56/77/44/567567744.db2.gz PLHXJUDQSVULBQ-SFHVURJKSA-N 2 2 381.314 3.153 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c(Br)c1 ZINC000595505025 567567752 /nfs/dbraw/zinc/56/77/52/567567752.db2.gz PLHXJUDQSVULBQ-SFHVURJKSA-N 2 2 381.314 3.153 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](N=c3[nH]c4c(cccc4Br)s3)C2)CC1 ZINC000621266919 567570801 /nfs/dbraw/zinc/57/08/01/567570801.db2.gz GFTNVENYXXRSLP-GFCCVEGCSA-N 2 2 395.370 3.061 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](N=c3[nH]c4c(cccc4Br)s3)C2)CC1 ZINC000621266919 567570807 /nfs/dbraw/zinc/57/08/07/567570807.db2.gz GFTNVENYXXRSLP-GFCCVEGCSA-N 2 2 395.370 3.061 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Br)cn1 ZINC000621269515 567570992 /nfs/dbraw/zinc/57/09/92/567570992.db2.gz XRNAZTYIFXJGGI-CXAGYDPISA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Br)cn1 ZINC000621269515 567570996 /nfs/dbraw/zinc/57/09/96/567570996.db2.gz XRNAZTYIFXJGGI-CXAGYDPISA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Br)cn1 ZINC000621269515 567570998 /nfs/dbraw/zinc/57/09/98/567570998.db2.gz XRNAZTYIFXJGGI-CXAGYDPISA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Br)cn1 ZINC000621269515 567571002 /nfs/dbraw/zinc/57/10/02/567571002.db2.gz XRNAZTYIFXJGGI-CXAGYDPISA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Br)cn1 ZINC000621269518 567571132 /nfs/dbraw/zinc/57/11/32/567571132.db2.gz XRNAZTYIFXJGGI-SUMWQHHRSA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Br)cn1 ZINC000621269518 567571139 /nfs/dbraw/zinc/57/11/39/567571139.db2.gz XRNAZTYIFXJGGI-SUMWQHHRSA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Br)cn1 ZINC000621269518 567571141 /nfs/dbraw/zinc/57/11/41/567571141.db2.gz XRNAZTYIFXJGGI-SUMWQHHRSA-N 2 2 380.330 3.301 20 0 GGADLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Br)cn1 ZINC000621269518 567571143 /nfs/dbraw/zinc/57/11/43/567571143.db2.gz XRNAZTYIFXJGGI-SUMWQHHRSA-N 2 2 380.330 3.301 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000505371633 567572631 /nfs/dbraw/zinc/57/26/31/567572631.db2.gz WQVZBTLVZWEJTJ-ZTFGCOKTSA-N 2 2 394.357 3.185 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000505371633 567572638 /nfs/dbraw/zinc/57/26/38/567572638.db2.gz WQVZBTLVZWEJTJ-ZTFGCOKTSA-N 2 2 394.357 3.185 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000505422050 567575676 /nfs/dbraw/zinc/57/56/76/567575676.db2.gz PCSIUJICUZHFEM-GOSISDBHSA-N 2 2 396.373 3.385 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000505422050 567575678 /nfs/dbraw/zinc/57/56/78/567575678.db2.gz PCSIUJICUZHFEM-GOSISDBHSA-N 2 2 396.373 3.385 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000505424304 567575763 /nfs/dbraw/zinc/57/57/63/567575763.db2.gz ZQTQQEMOMDMUOK-GOSISDBHSA-N 2 2 396.373 3.386 20 0 GGADLP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1c(Cl)cccc1Cl ZINC000530237520 567586497 /nfs/dbraw/zinc/58/64/97/567586497.db2.gz DWNRNQRRFXBUAV-CQSZACIVSA-N 2 2 386.323 3.022 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Br)c3F)C2)CC1 ZINC000571748087 567586726 /nfs/dbraw/zinc/58/67/26/567586726.db2.gz VUWZZZXLCIESRU-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(Br)c3F)C2)CC1 ZINC000571748087 567586735 /nfs/dbraw/zinc/58/67/35/567586735.db2.gz VUWZZZXLCIESRU-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP COc1cccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)n1 ZINC000480287732 567594842 /nfs/dbraw/zinc/59/48/42/567594842.db2.gz CHXGSIMZUUODLL-UHFFFAOYSA-N 2 2 375.270 3.141 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000480358747 567598571 /nfs/dbraw/zinc/59/85/71/567598571.db2.gz BOJMSLKEVRZCGV-NSHDSACASA-N 2 2 381.767 3.346 20 0 GGADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(Br)o2)c2ccccc2)CC1 ZINC000530411704 567600084 /nfs/dbraw/zinc/60/00/84/567600084.db2.gz IWQPAALASMZMKY-KRWDZBQOSA-N 2 2 378.314 3.120 20 0 GGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000571965845 567602955 /nfs/dbraw/zinc/60/29/55/567602955.db2.gz CSBQNKJTXKEISF-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000571965845 567602963 /nfs/dbraw/zinc/60/29/63/567602963.db2.gz CSBQNKJTXKEISF-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP C[N@@H+]1CCC[C@]2(CC[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)C2)C1 ZINC000645187799 567611827 /nfs/dbraw/zinc/61/18/27/567611827.db2.gz TUQDUVAMRLEYAP-IBGZPJMESA-N 2 2 384.351 3.070 20 0 GGADLP C[N@H+]1CCC[C@]2(CC[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)C2)C1 ZINC000645187799 567611832 /nfs/dbraw/zinc/61/18/32/567611832.db2.gz TUQDUVAMRLEYAP-IBGZPJMESA-N 2 2 384.351 3.070 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)C2)C1 ZINC000645187799 567611837 /nfs/dbraw/zinc/61/18/37/567611837.db2.gz TUQDUVAMRLEYAP-IBGZPJMESA-N 2 2 384.351 3.070 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)C2)C1 ZINC000645187799 567611840 /nfs/dbraw/zinc/61/18/40/567611840.db2.gz TUQDUVAMRLEYAP-IBGZPJMESA-N 2 2 384.351 3.070 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]C2CC[NH+](C)CC2)C1=O ZINC000506205388 567614169 /nfs/dbraw/zinc/61/41/69/567614169.db2.gz LOYIWZZAGFNKRB-QGZVFWFLSA-N 2 2 394.357 3.245 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000645271247 567616319 /nfs/dbraw/zinc/61/63/19/567616319.db2.gz FSUSTPZAEDEURM-ZWKOTPCHSA-N 2 2 381.358 3.301 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000645271247 567616326 /nfs/dbraw/zinc/61/63/26/567616326.db2.gz FSUSTPZAEDEURM-ZWKOTPCHSA-N 2 2 381.358 3.301 20 0 GGADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000645271247 567616332 /nfs/dbraw/zinc/61/63/32/567616332.db2.gz FSUSTPZAEDEURM-ZWKOTPCHSA-N 2 2 381.358 3.301 20 0 GGADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1Br)C1CC1 ZINC000645271247 567616335 /nfs/dbraw/zinc/61/63/35/567616335.db2.gz FSUSTPZAEDEURM-ZWKOTPCHSA-N 2 2 381.358 3.301 20 0 GGADLP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cccc(O)c1Br ZINC000459394748 567620518 /nfs/dbraw/zinc/62/05/18/567620518.db2.gz YAVTVGSVZPOZOB-UHFFFAOYSA-N 2 2 379.298 3.385 20 0 GGADLP CN(C(=O)c1cc(Cl)c(F)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645398918 567622424 /nfs/dbraw/zinc/62/24/24/567622424.db2.gz OMPPVLWISPHCQM-ZDUSSCGKSA-N 2 2 388.314 3.373 20 0 GGADLP CN(C(=O)c1cc(Cl)c(F)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645398918 567622431 /nfs/dbraw/zinc/62/24/31/567622431.db2.gz OMPPVLWISPHCQM-ZDUSSCGKSA-N 2 2 388.314 3.373 20 0 GGADLP Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1Br ZINC000459435514 567624564 /nfs/dbraw/zinc/62/45/64/567624564.db2.gz DJBZIAHECGAURQ-JKSUJKDBSA-N 2 2 383.330 3.012 20 0 GGADLP C[NH+](C)[C@@]1(C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CCSC1 ZINC000530883084 567627786 /nfs/dbraw/zinc/62/77/86/567627786.db2.gz LFWPZXFEWKJYQF-QGZVFWFLSA-N 2 2 383.355 3.252 20 0 GGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@H]1SC ZINC000459492310 567629014 /nfs/dbraw/zinc/62/90/14/567629014.db2.gz WMKFIXQYINXQDR-ARFHVFGLSA-N 2 2 398.370 3.446 20 0 GGADLP CN(CC[N@H+](C)Cc1cc(Cl)ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC000553177557 567633455 /nfs/dbraw/zinc/63/34/55/567633455.db2.gz HJHKCFFNUAAEJE-UHFFFAOYSA-N 2 2 375.891 3.399 20 0 GGADLP CN(CC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F)C1CC[NH+](C)CC1 ZINC000553177557 567633461 /nfs/dbraw/zinc/63/34/61/567633461.db2.gz HJHKCFFNUAAEJE-UHFFFAOYSA-N 2 2 375.891 3.399 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OC(F)F ZINC000553177557 567633464 /nfs/dbraw/zinc/63/34/64/567633464.db2.gz HJHKCFFNUAAEJE-UHFFFAOYSA-N 2 2 375.891 3.399 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OC(F)F ZINC000553177557 567633468 /nfs/dbraw/zinc/63/34/68/567633468.db2.gz HJHKCFFNUAAEJE-UHFFFAOYSA-N 2 2 375.891 3.399 20 0 GGADLP O=S(=O)(CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000572405400 567636359 /nfs/dbraw/zinc/63/63/59/567636359.db2.gz DMFXUIPDNUEVHJ-UONOGXRCSA-N 2 2 391.364 3.089 20 0 GGADLP O=S(=O)(CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000572405400 567636366 /nfs/dbraw/zinc/63/63/66/567636366.db2.gz DMFXUIPDNUEVHJ-UONOGXRCSA-N 2 2 391.364 3.089 20 0 GGADLP O=S(=O)(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000572405398 567637111 /nfs/dbraw/zinc/63/71/11/567637111.db2.gz DMFXUIPDNUEVHJ-KBPBESRZSA-N 2 2 391.364 3.089 20 0 GGADLP O=S(=O)(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000572405398 567637116 /nfs/dbraw/zinc/63/71/16/567637116.db2.gz DMFXUIPDNUEVHJ-KBPBESRZSA-N 2 2 391.364 3.089 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1OCCCO ZINC000459556777 567638183 /nfs/dbraw/zinc/63/81/83/567638183.db2.gz KOORRBYXACGSPH-CQSZACIVSA-N 2 2 397.357 3.488 20 0 GGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc(Br)cc21 ZINC000553261362 567638859 /nfs/dbraw/zinc/63/88/59/567638859.db2.gz YKNNKORMKUMMCB-HIFRSBDPSA-N 2 2 376.298 3.297 20 0 GGADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc(Br)cc21 ZINC000553261364 567639187 /nfs/dbraw/zinc/63/91/87/567639187.db2.gz YKNNKORMKUMMCB-ZFWWWQNUSA-N 2 2 376.298 3.297 20 0 GGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2ccc(Br)cc21 ZINC000553261363 567639659 /nfs/dbraw/zinc/63/96/59/567639659.db2.gz YKNNKORMKUMMCB-UKRRQHHQSA-N 2 2 376.298 3.297 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000531143561 567643891 /nfs/dbraw/zinc/64/38/91/567643891.db2.gz NJVYVAZLBOXEIF-MPGHIAIKSA-N 2 2 396.373 3.431 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000531143561 567643895 /nfs/dbraw/zinc/64/38/95/567643895.db2.gz NJVYVAZLBOXEIF-MPGHIAIKSA-N 2 2 396.373 3.431 20 0 GGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000531143561 567643899 /nfs/dbraw/zinc/64/38/99/567643899.db2.gz NJVYVAZLBOXEIF-MPGHIAIKSA-N 2 2 396.373 3.431 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@@H]1C ZINC000531143561 567643903 /nfs/dbraw/zinc/64/39/03/567643903.db2.gz NJVYVAZLBOXEIF-MPGHIAIKSA-N 2 2 396.373 3.431 20 0 GGADLP Cc1cc[nH+]c(NCc2cccc(C(=O)NCC[NH+](C)C)c2)c1Br ZINC000553383445 567648927 /nfs/dbraw/zinc/64/89/27/567648927.db2.gz UXRJCDQUARAYRD-UHFFFAOYSA-N 2 2 391.313 3.056 20 0 GGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000596691602 567649549 /nfs/dbraw/zinc/64/95/49/567649549.db2.gz NGEWUIMYYJFOAX-GOSISDBHSA-N 2 2 399.373 3.420 20 0 GGADLP CCCOc1ccc(Br)cc1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000596691603 567649611 /nfs/dbraw/zinc/64/96/11/567649611.db2.gz NGEWUIMYYJFOAX-SFHVURJKSA-N 2 2 399.373 3.420 20 0 GGADLP C[C@@H](NC(=O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(Br)cc1 ZINC000441330438 567660473 /nfs/dbraw/zinc/66/04/73/567660473.db2.gz GOZXJAYFVHKLMP-QAPCUYQASA-N 2 2 396.373 3.433 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccc(Br)cc1 ZINC000441330438 567660480 /nfs/dbraw/zinc/66/04/80/567660480.db2.gz GOZXJAYFVHKLMP-QAPCUYQASA-N 2 2 396.373 3.433 20 0 GGADLP C[C@@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000441330438 567660485 /nfs/dbraw/zinc/66/04/85/567660485.db2.gz GOZXJAYFVHKLMP-QAPCUYQASA-N 2 2 396.373 3.433 20 0 GGADLP C[C@@H](NC(=O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Br)cc1 ZINC000441330438 567660493 /nfs/dbraw/zinc/66/04/93/567660493.db2.gz GOZXJAYFVHKLMP-QAPCUYQASA-N 2 2 396.373 3.433 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000666239434 567661161 /nfs/dbraw/zinc/66/11/61/567661161.db2.gz OHBGPOMMJCYZDO-QGZVFWFLSA-N 2 2 378.563 3.153 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000666239434 567661167 /nfs/dbraw/zinc/66/11/67/567661167.db2.gz OHBGPOMMJCYZDO-QGZVFWFLSA-N 2 2 378.563 3.153 20 0 GGADLP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000531738434 567675989 /nfs/dbraw/zinc/67/59/89/567675989.db2.gz SIERKYGTXXCWBO-HNAYVOBHSA-N 2 2 383.989 3.104 20 0 GGADLP Cc1cc(Br)cn2c(CN3C[C@@H]([NH+]4CCCC4)C[C@@H]3C)c[nH+]c12 ZINC000573018397 567682726 /nfs/dbraw/zinc/68/27/26/567682726.db2.gz MVKCPSFMYGJABW-HOCLYGCPSA-N 2 2 377.330 3.464 20 0 GGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000623088759 567684609 /nfs/dbraw/zinc/68/46/09/567684609.db2.gz CPXCFSCUAFMLQD-UHFFFAOYSA-N 2 2 391.256 3.245 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000597256574 567693086 /nfs/dbraw/zinc/69/30/86/567693086.db2.gz NRPZWWOYWBYCHH-HNNXBMFYSA-N 2 2 395.341 3.447 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1 ZINC000597256574 567693092 /nfs/dbraw/zinc/69/30/92/567693092.db2.gz NRPZWWOYWBYCHH-HNNXBMFYSA-N 2 2 395.341 3.447 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(Br)c1 ZINC000597256575 567693442 /nfs/dbraw/zinc/69/34/42/567693442.db2.gz NRPZWWOYWBYCHH-OAHLLOKOSA-N 2 2 395.341 3.447 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(Br)c1 ZINC000597256575 567693445 /nfs/dbraw/zinc/69/34/45/567693445.db2.gz NRPZWWOYWBYCHH-OAHLLOKOSA-N 2 2 395.341 3.447 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000532155184 567700392 /nfs/dbraw/zinc/70/03/92/567700392.db2.gz NAMVUZIOXFPXIM-HOCLYGCPSA-N 2 2 386.367 3.457 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000532155184 567700394 /nfs/dbraw/zinc/70/03/94/567700394.db2.gz NAMVUZIOXFPXIM-HOCLYGCPSA-N 2 2 386.367 3.457 20 0 GGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000532155184 567700397 /nfs/dbraw/zinc/70/03/97/567700397.db2.gz NAMVUZIOXFPXIM-HOCLYGCPSA-N 2 2 386.367 3.457 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1C ZINC000532155184 567700400 /nfs/dbraw/zinc/70/04/00/567700400.db2.gz NAMVUZIOXFPXIM-HOCLYGCPSA-N 2 2 386.367 3.457 20 0 GGADLP COc1cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc(Br)c1OC(F)F ZINC000666768521 567703415 /nfs/dbraw/zinc/70/34/15/567703415.db2.gz IJIGJFXGRYGHTH-LLVKDONJSA-N 2 2 379.245 3.291 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532212258 567703502 /nfs/dbraw/zinc/70/35/02/567703502.db2.gz TYCMWEJTNUUKOZ-CQSZACIVSA-N 2 2 379.302 3.433 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000532225142 567704467 /nfs/dbraw/zinc/70/44/67/567704467.db2.gz NUJQKZYBHFWUKN-ZFWWWQNUSA-N 2 2 392.345 3.331 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000532225142 567704473 /nfs/dbraw/zinc/70/44/73/567704473.db2.gz NUJQKZYBHFWUKN-ZFWWWQNUSA-N 2 2 392.345 3.331 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532246749 567705494 /nfs/dbraw/zinc/70/54/94/567705494.db2.gz CSDJSEAEGMHKJX-AHIWAGSCSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532246749 567705498 /nfs/dbraw/zinc/70/54/98/567705498.db2.gz CSDJSEAEGMHKJX-AHIWAGSCSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532246750 567705955 /nfs/dbraw/zinc/70/59/55/567705955.db2.gz CSDJSEAEGMHKJX-OGHNNQOOSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532246750 567705963 /nfs/dbraw/zinc/70/59/63/567705963.db2.gz CSDJSEAEGMHKJX-OGHNNQOOSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000442763090 567707090 /nfs/dbraw/zinc/70/70/90/567707090.db2.gz CURVMISWFJPUHU-ZJUUUORDSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000442763090 567707094 /nfs/dbraw/zinc/70/70/94/567707094.db2.gz CURVMISWFJPUHU-ZJUUUORDSA-N 2 2 394.235 3.076 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)CSCC3CC[NH2+]CC3)n2)CC1 ZINC000573443061 567713948 /nfs/dbraw/zinc/71/39/48/567713948.db2.gz SJHGMCNIMJPZDW-UHFFFAOYSA-N 2 2 382.599 3.046 20 0 GGADLP F[C@@H]1C[NH2+][C@H](C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000666946503 567714343 /nfs/dbraw/zinc/71/43/43/567714343.db2.gz FUUJIMUJVFTNRF-RDJZCZTQSA-N 2 2 394.288 3.213 20 0 GGADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000532478355 567718897 /nfs/dbraw/zinc/71/88/97/567718897.db2.gz QNXHXUHEHWUYNT-UHFFFAOYSA-N 2 2 388.737 3.315 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000623617840 567725255 /nfs/dbraw/zinc/72/52/55/567725255.db2.gz RMRDLMHYEYGLOP-KRWDZBQOSA-N 2 2 377.941 3.498 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(-c2ccccc2Cl)s1 ZINC000623617840 567725259 /nfs/dbraw/zinc/72/52/59/567725259.db2.gz RMRDLMHYEYGLOP-KRWDZBQOSA-N 2 2 377.941 3.498 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(F)cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000532628157 567725873 /nfs/dbraw/zinc/72/58/73/567725873.db2.gz BIDOGKVTCUWOHQ-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(F)cc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000532628157 567725880 /nfs/dbraw/zinc/72/58/80/567725880.db2.gz BIDOGKVTCUWOHQ-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCCN3CC(F)F)c[nH+]c12 ZINC000623624898 567726963 /nfs/dbraw/zinc/72/69/63/567726963.db2.gz CVQPVSWDBUDWDF-ZDUSSCGKSA-N 2 2 387.272 3.224 20 0 GGADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000554777498 567749040 /nfs/dbraw/zinc/74/90/40/567749040.db2.gz WJYZQRDLGUPDLH-UHFFFAOYSA-N 2 2 376.303 3.022 20 0 GGADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4cc(Br)ccc4o3)CC2)C1 ZINC000667615549 567760499 /nfs/dbraw/zinc/76/04/99/567760499.db2.gz SSSNUWLMSLUJHY-QGZVFWFLSA-N 2 2 392.341 3.407 20 0 GGADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4cc(Br)ccc4o3)CC2)C1 ZINC000667615549 567760502 /nfs/dbraw/zinc/76/05/02/567760502.db2.gz SSSNUWLMSLUJHY-QGZVFWFLSA-N 2 2 392.341 3.407 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624123444 567761961 /nfs/dbraw/zinc/76/19/61/567761961.db2.gz LYNXZNDGNNVKRA-VXGBXAGGSA-N 2 2 394.368 3.023 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000624123444 567761963 /nfs/dbraw/zinc/76/19/63/567761963.db2.gz LYNXZNDGNNVKRA-VXGBXAGGSA-N 2 2 394.368 3.023 20 0 GGADLP Brc1ccc2oc(C[N@@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000667670269 567762767 /nfs/dbraw/zinc/76/27/67/567762767.db2.gz IVGBAGXHXKQLBV-AWEZNQCLSA-N 2 2 379.298 3.349 20 0 GGADLP Brc1ccc2oc(C[N@H+]3CC[C@@H](C[NH+]4CCOCC4)C3)cc2c1 ZINC000667670269 567762776 /nfs/dbraw/zinc/76/27/76/567762776.db2.gz IVGBAGXHXKQLBV-AWEZNQCLSA-N 2 2 379.298 3.349 20 0 GGADLP C[C@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)C[NH+]1CCOCC1 ZINC000647185142 567767532 /nfs/dbraw/zinc/76/75/32/567767532.db2.gz QAUAFFXTXDFKOA-GFCCVEGCSA-N 2 2 393.272 3.108 20 0 GGADLP C[C@@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000533568902 567776302 /nfs/dbraw/zinc/77/63/02/567776302.db2.gz AERDGKKQCCVUET-MAUKXSAKSA-N 2 2 394.357 3.187 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@H]([NH+]4CCCC4)[C@H]3C)c[nH+]c12 ZINC000574606715 567787456 /nfs/dbraw/zinc/78/74/56/567787456.db2.gz ODWBGCZFQGZUQT-PBHICJAKSA-N 2 2 377.330 3.464 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647499036 567787928 /nfs/dbraw/zinc/78/79/28/567787928.db2.gz XJVMRIZBDHDCDH-PBHICJAKSA-N 2 2 385.346 3.424 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647499036 567787932 /nfs/dbraw/zinc/78/79/32/567787932.db2.gz XJVMRIZBDHDCDH-PBHICJAKSA-N 2 2 385.346 3.424 20 0 GGADLP CSCc1cnc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000555537091 567788087 /nfs/dbraw/zinc/78/80/87/567788087.db2.gz JZYPSLYABKIOFY-GOSISDBHSA-N 2 2 376.595 3.084 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647499037 567788548 /nfs/dbraw/zinc/78/85/48/567788548.db2.gz XJVMRIZBDHDCDH-RHSMWYFYSA-N 2 2 385.346 3.424 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647499037 567788551 /nfs/dbraw/zinc/78/85/51/567788551.db2.gz XJVMRIZBDHDCDH-RHSMWYFYSA-N 2 2 385.346 3.424 20 0 GGADLP O=C(C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Nc1cccc(Br)c1 ZINC000574629913 567789340 /nfs/dbraw/zinc/78/93/40/567789340.db2.gz CBORPZDNNLGUNY-AEFFLSMTSA-N 2 2 388.309 3.471 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(Br)cc(F)c1F ZINC000574814407 567798382 /nfs/dbraw/zinc/79/83/82/567798382.db2.gz HZBVUNVSJLWNCU-UHFFFAOYSA-N 2 2 390.316 3.185 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(Br)cc(F)c1F ZINC000574814407 567798384 /nfs/dbraw/zinc/79/83/84/567798384.db2.gz HZBVUNVSJLWNCU-UHFFFAOYSA-N 2 2 390.316 3.185 20 0 GGADLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)cc1Br ZINC000574803604 567798755 /nfs/dbraw/zinc/79/87/55/567798755.db2.gz NUDUAKLNFAAFQJ-JTQLQIEISA-N 2 2 382.281 3.024 20 0 GGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cccc(I)c2)CC1 ZINC000598918432 567798857 /nfs/dbraw/zinc/79/88/57/567798857.db2.gz CIRUQQDHNBEDPO-UHFFFAOYSA-N 2 2 394.247 3.358 20 0 GGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000574846594 567799927 /nfs/dbraw/zinc/79/99/27/567799927.db2.gz JHOKQOWCWWDNKZ-HNNXBMFYSA-N 2 2 392.345 3.240 20 0 GGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000574846594 567799932 /nfs/dbraw/zinc/79/99/32/567799932.db2.gz JHOKQOWCWWDNKZ-HNNXBMFYSA-N 2 2 392.345 3.240 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000574846600 567800633 /nfs/dbraw/zinc/80/06/33/567800633.db2.gz JHOKQOWCWWDNKZ-OAHLLOKOSA-N 2 2 392.345 3.240 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000574846600 567800636 /nfs/dbraw/zinc/80/06/36/567800636.db2.gz JHOKQOWCWWDNKZ-OAHLLOKOSA-N 2 2 392.345 3.240 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]21 ZINC000647907908 567806879 /nfs/dbraw/zinc/80/68/79/567806879.db2.gz OCKQMYBCSDWXLA-ZKYQVNSYSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@H]21 ZINC000647907908 567806882 /nfs/dbraw/zinc/80/68/82/567806882.db2.gz OCKQMYBCSDWXLA-ZKYQVNSYSA-N 2 2 375.822 3.357 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647971887 567807603 /nfs/dbraw/zinc/80/76/03/567807603.db2.gz YJQILFOBOYXPTL-RKVPGOIHSA-N 2 2 382.335 3.198 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000647971887 567807605 /nfs/dbraw/zinc/80/76/05/567807605.db2.gz YJQILFOBOYXPTL-RKVPGOIHSA-N 2 2 382.335 3.198 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647975216 567808901 /nfs/dbraw/zinc/80/89/01/567808901.db2.gz QWEMDKAOEGCXIL-GJZGRUSLSA-N 2 2 380.330 3.099 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647975216 567808905 /nfs/dbraw/zinc/80/89/05/567808905.db2.gz QWEMDKAOEGCXIL-GJZGRUSLSA-N 2 2 380.330 3.099 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647975217 567809172 /nfs/dbraw/zinc/80/91/72/567809172.db2.gz QWEMDKAOEGCXIL-HUUCEWRRSA-N 2 2 380.330 3.099 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1Br ZINC000647975217 567809176 /nfs/dbraw/zinc/80/91/76/567809176.db2.gz QWEMDKAOEGCXIL-HUUCEWRRSA-N 2 2 380.330 3.099 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647984606 567809268 /nfs/dbraw/zinc/80/92/68/567809268.db2.gz RLLKRNKDIABKMQ-CXMBCZLWSA-N 2 2 386.323 3.149 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000534579282 567814762 /nfs/dbraw/zinc/81/47/62/567814762.db2.gz JLIKKTGFWGNMEU-LLVKDONJSA-N 2 2 397.704 3.264 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000534579282 567814763 /nfs/dbraw/zinc/81/47/63/567814763.db2.gz JLIKKTGFWGNMEU-LLVKDONJSA-N 2 2 397.704 3.264 20 0 GGADLP CCn1cc[nH+]c1CN(C(=O)c1coc2ccccc12)[C@@H]1CC12CC[NH2+]CC2 ZINC000562510633 570391316 /nfs/dbraw/zinc/39/13/16/570391316.db2.gz VHOGWHKICFKXRR-LJQANCHMSA-N 2 2 378.476 3.434 20 0 GGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)co2)cc1 ZINC000222036212 570406343 /nfs/dbraw/zinc/40/63/43/570406343.db2.gz ZSQMWEAWJLZKGT-AVRDEDQJSA-N 2 2 398.551 3.198 20 0 GGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)co2)cc1 ZINC000222036212 570406345 /nfs/dbraw/zinc/40/63/45/570406345.db2.gz ZSQMWEAWJLZKGT-AVRDEDQJSA-N 2 2 398.551 3.198 20 0 GGADLP CCOc1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)co2)cc1 ZINC000222036142 570406391 /nfs/dbraw/zinc/40/63/91/570406391.db2.gz ZSQMWEAWJLZKGT-PGRDOPGGSA-N 2 2 398.551 3.198 20 0 GGADLP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)co2)cc1 ZINC000222036142 570406392 /nfs/dbraw/zinc/40/63/92/570406392.db2.gz ZSQMWEAWJLZKGT-PGRDOPGGSA-N 2 2 398.551 3.198 20 0 GGADLP COc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000030565704 570491247 /nfs/dbraw/zinc/49/12/47/570491247.db2.gz KUUWXHFEXCIBQQ-UHFFFAOYSA-N 2 2 390.487 3.229 20 0 GGADLP COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1 ZINC000030565704 570491253 /nfs/dbraw/zinc/49/12/53/570491253.db2.gz KUUWXHFEXCIBQQ-UHFFFAOYSA-N 2 2 390.487 3.229 20 0 GGADLP CCn1cc[nH+]c1CN(C(=O)c1ccc2c(c1)CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000261618584 570540508 /nfs/dbraw/zinc/54/05/08/570540508.db2.gz BNJCMEHTNAGUTB-FQEVSTJZSA-N 2 2 378.520 3.176 20 0 GGADLP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)O[C@H](C)C2 ZINC000017318221 570704331 /nfs/dbraw/zinc/70/43/31/570704331.db2.gz YFTTXOLIYRIFOF-QGZVFWFLSA-N 2 2 382.504 3.141 20 0 GGADLP COc1cc2c(cc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)O[C@@H](C)C2 ZINC000017318222 570704435 /nfs/dbraw/zinc/70/44/35/570704435.db2.gz YFTTXOLIYRIFOF-KRWDZBQOSA-N 2 2 382.504 3.141 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)C1 ZINC000820650852 599405085 /nfs/dbraw/zinc/40/50/85/599405085.db2.gz XPHQFVIOTWLLAP-HOTGVXAUSA-N 2 2 380.496 3.227 20 0 GGADLP CC1CCC([NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)CC1 ZINC000820690242 599559842 /nfs/dbraw/zinc/55/98/42/599559842.db2.gz HYVTZUOPGNWDRP-UHFFFAOYSA-N 2 2 377.496 3.116 20 0 GGADLP CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821221046 599594851 /nfs/dbraw/zinc/59/48/51/599594851.db2.gz HSWRWEMWDLZHKI-GOSISDBHSA-N 2 2 394.498 3.350 20 0 GGADLP CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821221046 599594852 /nfs/dbraw/zinc/59/48/52/599594852.db2.gz HSWRWEMWDLZHKI-GOSISDBHSA-N 2 2 394.498 3.350 20 0 GGADLP CC[NH+](Cc1ccc(-c2nn[nH]n2)cc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821221046 599594853 /nfs/dbraw/zinc/59/48/53/599594853.db2.gz HSWRWEMWDLZHKI-GOSISDBHSA-N 2 2 394.498 3.350 20 0 GGADLP CC[NH+](Cc1ccc(-c2nn[nH]n2)cc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821221046 599594854 /nfs/dbraw/zinc/59/48/54/599594854.db2.gz HSWRWEMWDLZHKI-GOSISDBHSA-N 2 2 394.498 3.350 20 0 GGADLP c1csc([C@@H](CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)[NH+]2CCCC2)c1 ZINC000823815183 606441364 /nfs/dbraw/zinc/44/13/64/606441364.db2.gz AFKOLRDNSVLACS-QGZVFWFLSA-N 2 2 391.504 3.147 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+]1Cc1ccccc1 ZINC000820658931 607058728 /nfs/dbraw/zinc/05/87/28/607058728.db2.gz VKWJAANPNFKIRK-HNAYVOBHSA-N 2 2 380.471 3.149 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@H+]1Cc1ccccc1 ZINC000820658931 607058731 /nfs/dbraw/zinc/05/87/31/607058731.db2.gz VKWJAANPNFKIRK-HNAYVOBHSA-N 2 2 380.471 3.149 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000824907733 608368995 /nfs/dbraw/zinc/36/89/95/608368995.db2.gz JRZILRDELKQNGK-OAGGEKHMSA-N 2 2 377.496 3.257 20 0 GGADLP CC1CC[NH+](C[C@H]2CCCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)C2)CC1 ZINC000824955495 608375714 /nfs/dbraw/zinc/37/57/14/608375714.db2.gz OYZKBJOXCWNGQH-QGZVFWFLSA-N 2 2 391.523 3.363 20 0 GGADLP c1cn(-c2ccc(C[N@H+]3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)cc2)c[nH+]1 ZINC000823867991 608465098 /nfs/dbraw/zinc/46/50/98/608465098.db2.gz MEOIODFIVJUSTK-UHFFFAOYSA-N 2 2 383.459 3.342 20 0 GGADLP c1cn(-c2ccc(C[N@@H+]3CC=C(c4ccc(-c5nn[nH]n5)cc4)CC3)cc2)c[nH+]1 ZINC000823867991 608465100 /nfs/dbraw/zinc/46/51/00/608465100.db2.gz MEOIODFIVJUSTK-UHFFFAOYSA-N 2 2 383.459 3.342 20 0 GGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000824136427 608506211 /nfs/dbraw/zinc/50/62/11/608506211.db2.gz QPWRAJUNAOIHMG-FUHWJXTLSA-N 2 2 391.523 3.343 20 0 GGADLP c1sc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1-c1nn[nH]n1 ZINC000826521308 608696512 /nfs/dbraw/zinc/69/65/12/608696512.db2.gz HLSBVTMOFPPRPQ-NRFANRHFSA-N 2 2 394.548 3.416 20 0 GGADLP c1sc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1-c1nn[nH]n1 ZINC000826521308 608696513 /nfs/dbraw/zinc/69/65/13/608696513.db2.gz HLSBVTMOFPPRPQ-NRFANRHFSA-N 2 2 394.548 3.416 20 0 GGADLP c1sc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1-c1nn[nH]n1 ZINC000826521308 608696515 /nfs/dbraw/zinc/69/65/15/608696515.db2.gz HLSBVTMOFPPRPQ-NRFANRHFSA-N 2 2 394.548 3.416 20 0 GGADLP c1sc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1-c1nn[nH]n1 ZINC000826521308 608696517 /nfs/dbraw/zinc/69/65/17/608696517.db2.gz HLSBVTMOFPPRPQ-NRFANRHFSA-N 2 2 394.548 3.416 20 0 GGADLP C[C@@H]([NH2+][C@H](Cc1[nH+]ccn1C)c1ccccc1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824539881 609148023 /nfs/dbraw/zinc/14/80/23/609148023.db2.gz QMTPRVHULRJBQX-AUUYWEPGSA-N 2 2 391.454 3.374 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000824891577 609251668 /nfs/dbraw/zinc/25/16/68/609251668.db2.gz AYVCXRCGQLLRQU-UTKZUKDTSA-N 2 2 388.519 3.499 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(-c4nn[nH]n4)c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000824891577 609251669 /nfs/dbraw/zinc/25/16/69/609251669.db2.gz AYVCXRCGQLLRQU-UTKZUKDTSA-N 2 2 388.519 3.499 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824548729 609325591 /nfs/dbraw/zinc/32/55/91/609325591.db2.gz YYLBXDPTWMFLIL-MRXNPFEDSA-N 2 2 394.498 3.364 20 0 GGADLP COc1ccc(-c2nn[nH]n2)cc1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000826183886 609423145 /nfs/dbraw/zinc/42/31/45/609423145.db2.gz DMTKCKZAELLRLI-AWEZNQCLSA-N 2 2 389.463 3.220 20 0 GGADLP C[C@@H]([NH2+]CCCOc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000824591125 609441102 /nfs/dbraw/zinc/44/11/02/609441102.db2.gz HMOGBFBXQMPPJV-MRXNPFEDSA-N 2 2 389.463 3.172 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000824612627 609443374 /nfs/dbraw/zinc/44/33/74/609443374.db2.gz NULJAMUICYXZPQ-KXBFYZLASA-N 2 2 380.471 3.006 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000824612627 609443377 /nfs/dbraw/zinc/44/33/77/609443377.db2.gz NULJAMUICYXZPQ-KXBFYZLASA-N 2 2 380.471 3.006 20 0 GGADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000053088735 1406287604 /nfs/dbraw/zinc/28/76/04/1406287604.db2.gz LBLVZTUOVPIRKG-SFHVURJKSA-N 2 2 384.499 3.343 20 0 GGADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000053088735 1406287615 /nfs/dbraw/zinc/28/76/15/1406287615.db2.gz LBLVZTUOVPIRKG-SFHVURJKSA-N 2 2 384.499 3.343 20 0 GGADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000053513638 1406421974 /nfs/dbraw/zinc/42/19/74/1406421974.db2.gz DMQQSCNISTYYGX-UHFFFAOYSA-N 2 2 398.576 3.240 20 0 GGADLP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000053513744 1406422304 /nfs/dbraw/zinc/42/23/04/1406422304.db2.gz GLBNBJALHMIVOC-UHFFFAOYSA-N 2 2 398.576 3.240 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000053538478 1406433638 /nfs/dbraw/zinc/43/36/38/1406433638.db2.gz UVYPQOUPPUIMOG-IBGZPJMESA-N 2 2 390.528 3.017 20 0 GGADLP C[C@@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054043953 1406603313 /nfs/dbraw/zinc/60/33/13/1406603313.db2.gz HBKUYJNONRAMLI-XMSQKQJNSA-N 2 2 391.519 3.405 20 0 GGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000054717320 1406810903 /nfs/dbraw/zinc/81/09/03/1406810903.db2.gz YBLMKLDIXLZXHJ-RXVVDRJESA-N 2 2 393.535 3.317 20 0 GGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000054717320 1406810905 /nfs/dbraw/zinc/81/09/05/1406810905.db2.gz YBLMKLDIXLZXHJ-RXVVDRJESA-N 2 2 393.535 3.317 20 0 GGADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054804935 1406828727 /nfs/dbraw/zinc/82/87/27/1406828727.db2.gz MIMVFYUYXOYCKP-IBGZPJMESA-N 2 2 397.567 3.284 20 0 GGADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000054804935 1406828730 /nfs/dbraw/zinc/82/87/30/1406828730.db2.gz MIMVFYUYXOYCKP-IBGZPJMESA-N 2 2 397.567 3.284 20 0 GGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054805136 1406828769 /nfs/dbraw/zinc/82/87/69/1406828769.db2.gz YQBCVMIKEVBPPQ-GOSISDBHSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054805136 1406828771 /nfs/dbraw/zinc/82/87/71/1406828771.db2.gz YQBCVMIKEVBPPQ-GOSISDBHSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054805792 1406829445 /nfs/dbraw/zinc/82/94/45/1406829445.db2.gz PVJBJRMEZCZEIS-SFHVURJKSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054805792 1406829446 /nfs/dbraw/zinc/82/94/46/1406829446.db2.gz PVJBJRMEZCZEIS-SFHVURJKSA-N 2 2 383.540 3.241 20 0 GGADLP CCC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000015300529 1399151302 /nfs/dbraw/zinc/15/13/02/1399151302.db2.gz KIAFGBDMPGUYPK-UHFFFAOYSA-N 2 2 395.547 3.047 20 0 GGADLP CCC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)Cc1ccccc1 ZINC000015300529 1399151308 /nfs/dbraw/zinc/15/13/08/1399151308.db2.gz KIAFGBDMPGUYPK-UHFFFAOYSA-N 2 2 395.547 3.047 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1cccs1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000015301707 1399151705 /nfs/dbraw/zinc/15/17/05/1399151705.db2.gz BVQSHLICIZPUBM-FQEVSTJZSA-N 2 2 399.560 3.034 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1cccs1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000015301707 1399151709 /nfs/dbraw/zinc/15/17/09/1399151709.db2.gz BVQSHLICIZPUBM-FQEVSTJZSA-N 2 2 399.560 3.034 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000022549130 1399474434 /nfs/dbraw/zinc/47/44/34/1399474434.db2.gz ZRUMMNAQGGQKNJ-QHCPKHFHSA-N 2 2 377.532 3.476 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2c2ccccc2)CC1 ZINC000022549130 1399474438 /nfs/dbraw/zinc/47/44/38/1399474438.db2.gz ZRUMMNAQGGQKNJ-QHCPKHFHSA-N 2 2 377.532 3.476 20 0 GGADLP CCOc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCC(=O)Nc1ccccc1 ZINC000025359748 1399802412 /nfs/dbraw/zinc/80/24/12/1399802412.db2.gz OYRVXTNLKXESIV-UHFFFAOYSA-N 2 2 394.475 3.089 20 0 GGADLP CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)n3cc[nH+]c3)cc2Cl)CC1 ZINC000055695649 1407058129 /nfs/dbraw/zinc/05/81/29/1407058129.db2.gz ANCBDTZMVPXYNF-HNNXBMFYSA-N 2 2 375.904 3.268 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1F ZINC000026211767 1399869425 /nfs/dbraw/zinc/86/94/25/1399869425.db2.gz PONLGQBSGYORAP-SFHVURJKSA-N 2 2 383.511 3.427 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1F ZINC000026211767 1399869426 /nfs/dbraw/zinc/86/94/26/1399869426.db2.gz PONLGQBSGYORAP-SFHVURJKSA-N 2 2 383.511 3.427 20 0 GGADLP C=CC[N@@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccccc1 ZINC000027776567 1400091299 /nfs/dbraw/zinc/09/12/99/1400091299.db2.gz WWZQWNJFFZAIJZ-UHFFFAOYSA-N 2 2 392.547 3.455 20 0 GGADLP C=CC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)Cc1ccccc1 ZINC000027776567 1400091305 /nfs/dbraw/zinc/09/13/05/1400091305.db2.gz WWZQWNJFFZAIJZ-UHFFFAOYSA-N 2 2 392.547 3.455 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000029333213 1400284263 /nfs/dbraw/zinc/28/42/63/1400284263.db2.gz RXHRXBUGLHLLAO-UHFFFAOYSA-N 2 2 393.535 3.277 20 0 GGADLP Clc1ccc2c(NCCC[NH+]3CCN(c4ncccn4)CC3)cc[nH+]c2c1 ZINC000029584859 1400318481 /nfs/dbraw/zinc/31/84/81/1400318481.db2.gz CSCGPPLXVHMVKG-UHFFFAOYSA-N 2 2 382.899 3.302 20 0 GGADLP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000029655842 1400330076 /nfs/dbraw/zinc/33/00/76/1400330076.db2.gz WYXHBBPCZGVDFP-UHFFFAOYSA-N 2 2 398.576 3.371 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000029810583 1400356914 /nfs/dbraw/zinc/35/69/14/1400356914.db2.gz FCVONPHKWRKTSE-HSZRJFAPSA-N 2 2 377.532 3.259 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000029810583 1400356922 /nfs/dbraw/zinc/35/69/22/1400356922.db2.gz FCVONPHKWRKTSE-HSZRJFAPSA-N 2 2 377.532 3.259 20 0 GGADLP COc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030006190 1400397111 /nfs/dbraw/zinc/39/71/11/1400397111.db2.gz GZIGXMZDYVAGQC-SFHVURJKSA-N 2 2 397.519 3.159 20 0 GGADLP COc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000030006190 1400397120 /nfs/dbraw/zinc/39/71/20/1400397120.db2.gz GZIGXMZDYVAGQC-SFHVURJKSA-N 2 2 397.519 3.159 20 0 GGADLP COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000030006198 1400397186 /nfs/dbraw/zinc/39/71/86/1400397186.db2.gz AREJPNSVDVHWDL-LJQANCHMSA-N 2 2 381.520 3.032 20 0 GGADLP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000030006198 1400397195 /nfs/dbraw/zinc/39/71/95/1400397195.db2.gz AREJPNSVDVHWDL-LJQANCHMSA-N 2 2 381.520 3.032 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000043179384 1403726327 /nfs/dbraw/zinc/72/63/27/1403726327.db2.gz XZSVWBYKMUZOOE-QZTJIDSGSA-N 2 2 388.556 3.290 20 0 GGADLP CC(C)C[NH+]1CCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043547365 1403783497 /nfs/dbraw/zinc/78/34/97/1403783497.db2.gz DSRUUUBYVOVWPB-MRXNPFEDSA-N 2 2 379.574 3.181 20 0 GGADLP CC(C)C[NH+]1CCN(C(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000043547365 1403783501 /nfs/dbraw/zinc/78/35/01/1403783501.db2.gz DSRUUUBYVOVWPB-MRXNPFEDSA-N 2 2 379.574 3.181 20 0 GGADLP C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000056563902 1407362903 /nfs/dbraw/zinc/36/29/03/1407362903.db2.gz YAZVZIVUGGPTRF-HZPDHXFCSA-N 2 2 379.574 3.371 20 0 GGADLP C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)[NH+]1CCCCC1 ZINC000056563902 1407362910 /nfs/dbraw/zinc/36/29/10/1407362910.db2.gz YAZVZIVUGGPTRF-HZPDHXFCSA-N 2 2 379.574 3.371 20 0 GGADLP O=C(N=c1[nH]c(C[NH+]2CCCCC2)cs1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045059350 1404047223 /nfs/dbraw/zinc/04/72/23/1404047223.db2.gz AMJSYIDLIMPWLS-UHFFFAOYSA-N 2 2 381.505 3.048 20 0 GGADLP C[N@H+](CCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000045126066 1404058237 /nfs/dbraw/zinc/05/82/37/1404058237.db2.gz HLJWUNFNESEQJE-UHFFFAOYSA-N 2 2 391.519 3.253 20 0 GGADLP C[N@@H+](CCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000045126066 1404058243 /nfs/dbraw/zinc/05/82/43/1404058243.db2.gz HLJWUNFNESEQJE-UHFFFAOYSA-N 2 2 391.519 3.253 20 0 GGADLP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045370090 1404108538 /nfs/dbraw/zinc/10/85/38/1404108538.db2.gz QAANXWGUKVSMBR-SFHVURJKSA-N 2 2 377.492 3.365 20 0 GGADLP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045370090 1404108542 /nfs/dbraw/zinc/10/85/42/1404108542.db2.gz QAANXWGUKVSMBR-SFHVURJKSA-N 2 2 377.492 3.365 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000045410406 1404116858 /nfs/dbraw/zinc/11/68/58/1404116858.db2.gz WHRKJIMZIYGLHO-IAGOWNOFSA-N 2 2 386.540 3.044 20 0 GGADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000045463675 1404126993 /nfs/dbraw/zinc/12/69/93/1404126993.db2.gz NHJBPXMNTDPIIS-RMKNXTFCSA-N 2 2 384.568 3.147 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532222 1404140322 /nfs/dbraw/zinc/14/03/22/1404140322.db2.gz KZRYTLPICHPYGW-HXUWFJFHSA-N 2 2 397.567 3.428 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000045532222 1404140330 /nfs/dbraw/zinc/14/03/30/1404140330.db2.gz KZRYTLPICHPYGW-HXUWFJFHSA-N 2 2 397.567 3.428 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccsc1 ZINC000045606100 1404158676 /nfs/dbraw/zinc/15/86/76/1404158676.db2.gz UAVQZSCQZQGAKV-IBGZPJMESA-N 2 2 383.521 3.095 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000046019412 1404273958 /nfs/dbraw/zinc/27/39/58/1404273958.db2.gz BKJOBGAJNQFKHG-NRFANRHFSA-N 2 2 383.540 3.241 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000046088445 1404294186 /nfs/dbraw/zinc/29/41/86/1404294186.db2.gz USKROCNIZAZKOM-IBGZPJMESA-N 2 2 391.581 3.036 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000046088445 1404294196 /nfs/dbraw/zinc/29/41/96/1404294196.db2.gz USKROCNIZAZKOM-IBGZPJMESA-N 2 2 391.581 3.036 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000046089309 1404294548 /nfs/dbraw/zinc/29/45/48/1404294548.db2.gz JEGWYWBWESFBQF-OAQYLSRUSA-N 2 2 399.560 3.034 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000046089309 1404294552 /nfs/dbraw/zinc/29/45/52/1404294552.db2.gz JEGWYWBWESFBQF-OAQYLSRUSA-N 2 2 399.560 3.034 20 0 GGADLP CC(C)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCC(C)CC1 ZINC000046254190 1404346863 /nfs/dbraw/zinc/34/68/63/1404346863.db2.gz ZSTQCEOCWBMLQH-JOCHJYFZSA-N 2 2 397.567 3.487 20 0 GGADLP C[N@@H+]1CCCN(c2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC000046403656 1404401159 /nfs/dbraw/zinc/40/11/59/1404401159.db2.gz FVZHADJXCDHVSU-UHFFFAOYSA-N 2 2 389.503 3.326 20 0 GGADLP C[N@H+]1CCCN(c2ccc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)cc2)CC1 ZINC000046403656 1404401165 /nfs/dbraw/zinc/40/11/65/1404401165.db2.gz FVZHADJXCDHVSU-UHFFFAOYSA-N 2 2 389.503 3.326 20 0 GGADLP CC1CC[NH+](CCCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000046735720 1404573583 /nfs/dbraw/zinc/57/35/83/1404573583.db2.gz NEBDNDSVWNHTAN-UHFFFAOYSA-N 2 2 383.540 3.243 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046751053 1404576909 /nfs/dbraw/zinc/57/69/09/1404576909.db2.gz HBVHGBYXGJFKTO-LJQANCHMSA-N 2 2 383.540 3.385 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000046751053 1404576912 /nfs/dbraw/zinc/57/69/12/1404576912.db2.gz HBVHGBYXGJFKTO-LJQANCHMSA-N 2 2 383.540 3.385 20 0 GGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046751687 1404578095 /nfs/dbraw/zinc/57/80/95/1404578095.db2.gz CLJSBCYFSQBZPQ-LJQANCHMSA-N 2 2 383.540 3.243 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046751687 1404578098 /nfs/dbraw/zinc/57/80/98/1404578098.db2.gz CLJSBCYFSQBZPQ-LJQANCHMSA-N 2 2 383.540 3.243 20 0 GGADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000046893112 1404624620 /nfs/dbraw/zinc/62/46/20/1404624620.db2.gz DXBXEAKYSPWGIP-UHFFFAOYSA-N 2 2 398.576 3.024 20 0 GGADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000046893112 1404624636 /nfs/dbraw/zinc/62/46/36/1404624636.db2.gz DXBXEAKYSPWGIP-UHFFFAOYSA-N 2 2 398.576 3.024 20 0 GGADLP CC(C)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000047298521 1404794044 /nfs/dbraw/zinc/79/40/44/1404794044.db2.gz XYIFSGFIXZQNLH-UHFFFAOYSA-N 2 2 388.515 3.498 20 0 GGADLP CC(C)(CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2ccccc2C1 ZINC000047298521 1404794054 /nfs/dbraw/zinc/79/40/54/1404794054.db2.gz XYIFSGFIXZQNLH-UHFFFAOYSA-N 2 2 388.515 3.498 20 0 GGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000047304562 1404796955 /nfs/dbraw/zinc/79/69/55/1404796955.db2.gz OYMHKEVPKGWALD-UHFFFAOYSA-N 2 2 398.576 3.402 20 0 GGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CCC([NH+]2CCCC2)CC1 ZINC000047371628 1404819084 /nfs/dbraw/zinc/81/90/84/1404819084.db2.gz KLQXINFMZKWTFR-UHFFFAOYSA-N 2 2 377.558 3.221 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000047501140 1404852945 /nfs/dbraw/zinc/85/29/45/1404852945.db2.gz QPDALXIWSUGBAN-GOSISDBHSA-N 2 2 381.524 3.367 20 0 GGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000047501140 1404852946 /nfs/dbraw/zinc/85/29/46/1404852946.db2.gz QPDALXIWSUGBAN-GOSISDBHSA-N 2 2 381.524 3.367 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCNc3cccc[nH+]3)cc2)C1 ZINC000047501155 1404853150 /nfs/dbraw/zinc/85/31/50/1404853150.db2.gz LDVCTRFSGLOORM-GOSISDBHSA-N 2 2 381.524 3.225 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCNc3cccc[nH+]3)cc2)C1 ZINC000047501155 1404853153 /nfs/dbraw/zinc/85/31/53/1404853153.db2.gz LDVCTRFSGLOORM-GOSISDBHSA-N 2 2 381.524 3.225 20 0 GGADLP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000047501142 1404853314 /nfs/dbraw/zinc/85/33/14/1404853314.db2.gz QPDALXIWSUGBAN-SFHVURJKSA-N 2 2 381.524 3.367 20 0 GGADLP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCNc2cccc[nH+]2)cc1 ZINC000047501142 1404853318 /nfs/dbraw/zinc/85/33/18/1404853318.db2.gz QPDALXIWSUGBAN-SFHVURJKSA-N 2 2 381.524 3.367 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000047597362 1404876461 /nfs/dbraw/zinc/87/64/61/1404876461.db2.gz ZNJGVOSWODELSO-OALUTQOASA-N 2 2 383.540 3.251 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1ccsc1 ZINC000047777837 1404939648 /nfs/dbraw/zinc/93/96/48/1404939648.db2.gz LQMFNRLOAIZFLP-MSOLQXFVSA-N 2 2 390.553 3.470 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000176272535 1428212613 /nfs/dbraw/zinc/21/26/13/1428212613.db2.gz IIIZMNPSKMQUIN-SIKLNZKXSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000176272535 1428212622 /nfs/dbraw/zinc/21/26/22/1428212622.db2.gz IIIZMNPSKMQUIN-SIKLNZKXSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000176272535 1428212632 /nfs/dbraw/zinc/21/26/32/1428212632.db2.gz IIIZMNPSKMQUIN-SIKLNZKXSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000176272535 1428212643 /nfs/dbraw/zinc/21/26/43/1428212643.db2.gz IIIZMNPSKMQUIN-SIKLNZKXSA-N 2 2 387.568 3.413 20 0 GGADLP CC(C)(CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[NH+]1CCCCC1 ZINC000047911457 1404992970 /nfs/dbraw/zinc/99/29/70/1404992970.db2.gz IPFCMRDMBPHSJH-UHFFFAOYSA-N 2 2 383.540 3.038 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccccc1Cl ZINC000047927283 1405000097 /nfs/dbraw/zinc/00/00/97/1405000097.db2.gz SGNKOSOTMZLKDX-YJBOKZPZSA-N 2 2 377.920 3.307 20 0 GGADLP Cc1ccc([C@H](C)[N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000047960132 1405010885 /nfs/dbraw/zinc/01/08/85/1405010885.db2.gz KCHSYOGMVNOXSJ-IBGZPJMESA-N 2 2 381.520 3.459 20 0 GGADLP Cc1ccc([C@H](C)[N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000047960132 1405010895 /nfs/dbraw/zinc/01/08/95/1405010895.db2.gz KCHSYOGMVNOXSJ-IBGZPJMESA-N 2 2 381.520 3.459 20 0 GGADLP C[N@H+](CCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)Cc1ccccc1 ZINC000048193780 1405093706 /nfs/dbraw/zinc/09/37/06/1405093706.db2.gz CVJPEUZEOICNCH-UHFFFAOYSA-N 2 2 391.519 3.253 20 0 GGADLP C[N@@H+](CCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)Cc1ccccc1 ZINC000048193780 1405093716 /nfs/dbraw/zinc/09/37/16/1405093716.db2.gz CVJPEUZEOICNCH-UHFFFAOYSA-N 2 2 391.519 3.253 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000048507485 1405211573 /nfs/dbraw/zinc/21/15/73/1405211573.db2.gz WGFZHSAPMVHTEZ-WOJBJXKFSA-N 2 2 397.567 3.141 20 0 GGADLP C[C@@H](CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000048507117 1405211788 /nfs/dbraw/zinc/21/17/88/1405211788.db2.gz HRGHOSIFRJAEAA-MOPGFXCFSA-N 2 2 383.540 3.036 20 0 GGADLP C[C@@H](CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000048507117 1405211796 /nfs/dbraw/zinc/21/17/96/1405211796.db2.gz HRGHOSIFRJAEAA-MOPGFXCFSA-N 2 2 383.540 3.036 20 0 GGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048685997 1405257085 /nfs/dbraw/zinc/25/70/85/1405257085.db2.gz OYZXGSJIKSDGHA-GASCZTMLSA-N 2 2 392.494 3.356 20 0 GGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000048685997 1405257097 /nfs/dbraw/zinc/25/70/97/1405257097.db2.gz OYZXGSJIKSDGHA-GASCZTMLSA-N 2 2 392.494 3.356 20 0 GGADLP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000048686003 1405257361 /nfs/dbraw/zinc/25/73/61/1405257361.db2.gz OYZXGSJIKSDGHA-GJZGRUSLSA-N 2 2 392.494 3.356 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000049021745 1405333692 /nfs/dbraw/zinc/33/36/92/1405333692.db2.gz FFXOFRQLFZZGDY-QRVBRYPASA-N 2 2 383.540 3.249 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000049074861 1405338904 /nfs/dbraw/zinc/33/89/04/1405338904.db2.gz JHRGFECGWQJCOZ-CRAIPNDOSA-N 2 2 375.904 3.061 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000049797743 1405420113 /nfs/dbraw/zinc/42/01/13/1405420113.db2.gz WYNFCDNLCCBMFY-NRFANRHFSA-N 2 2 395.482 3.173 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000050797430 1405655016 /nfs/dbraw/zinc/65/50/16/1405655016.db2.gz RHIDEVFAHVVADM-UXHICEINSA-N 2 2 375.944 3.118 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000050797428 1405655719 /nfs/dbraw/zinc/65/57/19/1405655719.db2.gz RHIDEVFAHVVADM-WOJBJXKFSA-N 2 2 375.944 3.118 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(Cl)c3)CC2)CC1 ZINC000050797431 1405655847 /nfs/dbraw/zinc/65/58/47/1405655847.db2.gz RHIDEVFAHVVADM-VQTJNVASSA-N 2 2 375.944 3.118 20 0 GGADLP COc1ccc(C2(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCCC2)cc1 ZINC000050797546 1405655974 /nfs/dbraw/zinc/65/59/74/1405655974.db2.gz AISNFUZYZWDAGM-UHFFFAOYSA-N 2 2 399.579 3.182 20 0 GGADLP CC(C)c1cccc(O[C@@H](C)C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050797722 1405656259 /nfs/dbraw/zinc/65/62/59/1405656259.db2.gz DVPLSEIYWPHFNI-SFHVURJKSA-N 2 2 387.568 3.252 20 0 GGADLP CC(C)Oc1ccc(Cl)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797088 1405656357 /nfs/dbraw/zinc/65/63/57/1405656357.db2.gz IAOCEZKIRJGDAO-UHFFFAOYSA-N 2 2 393.959 3.416 20 0 GGADLP CC(C)Sc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797593 1405656474 /nfs/dbraw/zinc/65/64/74/1405656474.db2.gz RJFIAMIREBSOKS-UHFFFAOYSA-N 2 2 375.582 3.476 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(SC(F)F)cc3)CC2)CC1 ZINC000050799622 1405657915 /nfs/dbraw/zinc/65/79/15/1405657915.db2.gz VLHUJJGJTQDDEC-UHFFFAOYSA-N 2 2 383.508 3.290 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)CC1 ZINC000050797836 1405658125 /nfs/dbraw/zinc/65/81/25/1405658125.db2.gz PIBUHTFDLNBWNB-CABCVRRESA-N 2 2 375.479 3.030 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc4c5c(cccc53)CC4)CC2)CC1 ZINC000050800315 1405658171 /nfs/dbraw/zinc/65/81/71/1405658171.db2.gz NAHXKOGCCJHIOJ-UHFFFAOYSA-N 2 2 377.532 3.227 20 0 GGADLP Cc1cc2occ(CC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2cc1C ZINC000050800413 1405658311 /nfs/dbraw/zinc/65/83/11/1405658311.db2.gz WSSVYKOFOFUQSX-UHFFFAOYSA-N 2 2 383.536 3.267 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCSc3ccccc3Cl)CC2)CC1 ZINC000050802454 1405659237 /nfs/dbraw/zinc/65/92/37/1405659237.db2.gz CEVMALZMEZKBRB-UHFFFAOYSA-N 2 2 396.000 3.497 20 0 GGADLP Cc1ccc(SCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050802538 1405660506 /nfs/dbraw/zinc/66/05/06/1405660506.db2.gz JEDCLBNNLXHTBX-UHFFFAOYSA-N 2 2 375.582 3.152 20 0 GGADLP Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050802469 1405660551 /nfs/dbraw/zinc/66/05/51/1405660551.db2.gz ZWCPSENMERDKAX-INIZCTEOSA-N 2 2 393.959 3.091 20 0 GGADLP Cc1nc2sc3c(c2c(NC2CC[NH+](C4CC[NH+](C)CC4)CC2)n1)CCC3 ZINC000050954579 1405689952 /nfs/dbraw/zinc/68/99/52/1405689952.db2.gz WTSLXYVTTCFOMN-UHFFFAOYSA-N 2 2 385.581 3.459 20 0 GGADLP COc1cc(OC)cc(Oc2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)c1 ZINC000051187951 1405739892 /nfs/dbraw/zinc/73/98/92/1405739892.db2.gz FHSRYWAYIVDLTI-GOSISDBHSA-N 2 2 386.492 3.042 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000051234707 1405751557 /nfs/dbraw/zinc/75/15/57/1405751557.db2.gz FPBIEQPSSVKSSE-UHFFFAOYSA-N 2 2 382.508 3.171 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCc3cccc4ccccc43)CC2)CC1 ZINC000051271837 1405765962 /nfs/dbraw/zinc/76/59/62/1405765962.db2.gz NXGCKWBDAYJQOS-UHFFFAOYSA-N 2 2 394.563 3.240 20 0 GGADLP COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1-c1ccccc1 ZINC000051469247 1405816235 /nfs/dbraw/zinc/81/62/35/1405816235.db2.gz FSXYPCFBJYCTBK-UHFFFAOYSA-N 2 2 395.547 3.460 20 0 GGADLP COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1-c1ccccc1 ZINC000051469247 1405816240 /nfs/dbraw/zinc/81/62/40/1405816240.db2.gz FSXYPCFBJYCTBK-UHFFFAOYSA-N 2 2 395.547 3.460 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N(CCc2ccccc2)CC[NH+](C)C)c1C ZINC000051755092 1405859964 /nfs/dbraw/zinc/85/99/64/1405859964.db2.gz HIAFRKMECKULSN-UHFFFAOYSA-N 2 2 384.524 3.023 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000051755482 1405860232 /nfs/dbraw/zinc/86/02/32/1405860232.db2.gz GSYGXPIEHLSIHA-SFHVURJKSA-N 2 2 386.496 3.326 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3ccc(F)cc3)CC2)CC1 ZINC000051758974 1405860494 /nfs/dbraw/zinc/86/04/94/1405860494.db2.gz VLUGEUFVSJMQSA-OAQYLSRUSA-N 2 2 388.531 3.231 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759788 1405861134 /nfs/dbraw/zinc/86/11/34/1405861134.db2.gz VXFGNWOURIFAEI-UHFFFAOYSA-N 2 2 396.938 3.179 20 0 GGADLP CCN(Cc1ccccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760682 1405861217 /nfs/dbraw/zinc/86/12/17/1405861217.db2.gz JKVZQEKYZDFFCV-UHFFFAOYSA-N 2 2 392.975 3.430 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCSc4ccccc43)CC2)CC1 ZINC000051760539 1405861263 /nfs/dbraw/zinc/86/12/63/1405861263.db2.gz MXNCVYZCYBSUAR-LJQANCHMSA-N 2 2 388.581 3.081 20 0 GGADLP CC[N@H+](CCc1ccccc1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000051924190 1405886536 /nfs/dbraw/zinc/88/65/36/1405886536.db2.gz CJBWRSIAASEWHY-UHFFFAOYSA-N 2 2 381.520 3.022 20 0 GGADLP CC[N@@H+](CCc1ccccc1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000051924190 1405886542 /nfs/dbraw/zinc/88/65/42/1405886542.db2.gz CJBWRSIAASEWHY-UHFFFAOYSA-N 2 2 381.520 3.022 20 0 GGADLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)on1 ZINC000052011040 1405897663 /nfs/dbraw/zinc/89/76/63/1405897663.db2.gz PSWUJUVDHBMJSF-OAQYLSRUSA-N 2 2 396.535 3.209 20 0 GGADLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)on1 ZINC000052011040 1405897664 /nfs/dbraw/zinc/89/76/64/1405897664.db2.gz PSWUJUVDHBMJSF-OAQYLSRUSA-N 2 2 396.535 3.209 20 0 GGADLP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000052290496 1406009010 /nfs/dbraw/zinc/00/90/10/1406009010.db2.gz KSAWSQKQYVLZSE-KRWDZBQOSA-N 2 2 393.894 3.120 20 0 GGADLP C[C@@H]1CCC[C@](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)([NH+](C)C)C1 ZINC000052524121 1406073631 /nfs/dbraw/zinc/07/36/31/1406073631.db2.gz MYHOISNRRWNUON-GCJKJVERSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@@H]1CCC[C@@](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)([NH+](C)C)C1 ZINC000052524119 1406073682 /nfs/dbraw/zinc/07/36/82/1406073682.db2.gz MYHOISNRRWNUON-XMSQKQJNSA-N 2 2 383.540 3.241 20 0 GGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)o1 ZINC000052754205 1406156711 /nfs/dbraw/zinc/15/67/11/1406156711.db2.gz NCOVUQHFARTDJJ-UHFFFAOYSA-N 2 2 399.539 3.306 20 0 GGADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@H+](C)Cc1csc2ccccc12 ZINC000052806162 1406178757 /nfs/dbraw/zinc/17/87/57/1406178757.db2.gz NOQRFWYGLNFUMO-QGZVFWFLSA-N 2 2 394.544 3.465 20 0 GGADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[N@@H+](C)Cc1csc2ccccc12 ZINC000052806162 1406178768 /nfs/dbraw/zinc/17/87/68/1406178768.db2.gz NOQRFWYGLNFUMO-QGZVFWFLSA-N 2 2 394.544 3.465 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000056831521 1407447102 /nfs/dbraw/zinc/44/71/02/1407447102.db2.gz HMHKLVGMWDQOLN-UHFFFAOYSA-N 2 2 399.514 3.094 20 0 GGADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)o1 ZINC000056872956 1407461344 /nfs/dbraw/zinc/46/13/44/1407461344.db2.gz IARSDVUVWMSFOV-UHFFFAOYSA-N 2 2 395.507 3.106 20 0 GGADLP C[N@H+](CCCNC(=O)NCc1ccccc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000056894674 1407468191 /nfs/dbraw/zinc/46/81/91/1407468191.db2.gz CVKGKXDHNWGFTM-UHFFFAOYSA-N 2 2 377.492 3.194 20 0 GGADLP C[N@@H+](CCCNC(=O)NCc1ccccc1-n1cc[nH+]c1)Cc1ccccc1 ZINC000056894674 1407468196 /nfs/dbraw/zinc/46/81/96/1407468196.db2.gz CVKGKXDHNWGFTM-UHFFFAOYSA-N 2 2 377.492 3.194 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000056894376 1407468297 /nfs/dbraw/zinc/46/82/97/1407468297.db2.gz ZVXHCKZJDZNHJQ-FQEVSTJZSA-N 2 2 393.491 3.492 20 0 GGADLP O=C(NCc1ccccc1C[NH+]1CCCC1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894744 1407468320 /nfs/dbraw/zinc/46/83/20/1407468320.db2.gz CDKRPNAOTPFMFI-UHFFFAOYSA-N 2 2 389.503 3.468 20 0 GGADLP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895884 1407469070 /nfs/dbraw/zinc/46/90/70/1407469070.db2.gz OGNGVJVQPMSHHS-UHFFFAOYSA-N 2 2 395.482 3.285 20 0 GGADLP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895259 1407469316 /nfs/dbraw/zinc/46/93/16/1407469316.db2.gz FCJQFWJBRXKSOU-UHFFFAOYSA-N 2 2 391.519 3.188 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000056937625 1407478753 /nfs/dbraw/zinc/47/87/53/1407478753.db2.gz ORPWGJPTRQUXSK-IBGZPJMESA-N 2 2 390.528 3.017 20 0 GGADLP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](CCc3cccs3)CC2)o1 ZINC000056989484 1407494143 /nfs/dbraw/zinc/49/41/43/1407494143.db2.gz XMJAUWOYZDPTFT-UHFFFAOYSA-N 2 2 375.538 3.183 20 0 GGADLP O=C(NCCCCn1cc[nH+]c1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000057375113 1407599721 /nfs/dbraw/zinc/59/97/21/1407599721.db2.gz WJROVYCJVLQIMC-UHFFFAOYSA-N 2 2 389.931 3.281 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1C ZINC000057607058 1407664912 /nfs/dbraw/zinc/66/49/12/1407664912.db2.gz TZGOKCYAFAWORS-IBGZPJMESA-N 2 2 388.487 3.290 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000057612775 1407665733 /nfs/dbraw/zinc/66/57/33/1407665733.db2.gz CQYYJWUJLLPISV-HOTGVXAUSA-N 2 2 376.545 3.216 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000057618246 1407668576 /nfs/dbraw/zinc/66/85/76/1407668576.db2.gz SSAILYMILMHWIB-HNNXBMFYSA-N 2 2 376.545 3.359 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)c1C ZINC000057618246 1407668587 /nfs/dbraw/zinc/66/85/87/1407668587.db2.gz SSAILYMILMHWIB-HNNXBMFYSA-N 2 2 376.545 3.359 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000057631032 1407671565 /nfs/dbraw/zinc/67/15/65/1407671565.db2.gz GJIOTTMBJCTOGW-FQEVSTJZSA-N 2 2 384.524 3.460 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CC[NH+](CC(C)C)C3)c2C1 ZINC000176342167 1428257451 /nfs/dbraw/zinc/25/74/51/1428257451.db2.gz IVTKOZQNMOKNOT-SFHVURJKSA-N 2 2 394.563 3.321 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CC[NH+](CC(C)C)C3)c2C1 ZINC000176342167 1428257459 /nfs/dbraw/zinc/25/74/59/1428257459.db2.gz IVTKOZQNMOKNOT-SFHVURJKSA-N 2 2 394.563 3.321 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CC[N@H+](CC(C)C)C3)c2C1 ZINC000176342167 1428257477 /nfs/dbraw/zinc/25/74/77/1428257477.db2.gz IVTKOZQNMOKNOT-SFHVURJKSA-N 2 2 394.563 3.321 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)c2C1 ZINC000176342167 1428257489 /nfs/dbraw/zinc/25/74/89/1428257489.db2.gz IVTKOZQNMOKNOT-SFHVURJKSA-N 2 2 394.563 3.321 20 0 GGADLP CC1CC[NH+]([C@@H](CNC(=O)NCCNc2cccc[nH+]2)c2ccccc2)CC1 ZINC000057795764 1407719819 /nfs/dbraw/zinc/71/98/19/1407719819.db2.gz KSVJDENDQAXEQU-FQEVSTJZSA-N 2 2 381.524 3.266 20 0 GGADLP CC[N@H+](C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000057835868 1407733487 /nfs/dbraw/zinc/73/34/87/1407733487.db2.gz HETIQSVRNPJDSP-QFIPXVFZSA-N 2 2 381.520 3.193 20 0 GGADLP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000057835868 1407733491 /nfs/dbraw/zinc/73/34/91/1407733491.db2.gz HETIQSVRNPJDSP-QFIPXVFZSA-N 2 2 381.520 3.193 20 0 GGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058807755 1407884213 /nfs/dbraw/zinc/88/42/13/1407884213.db2.gz GSIYWXPXNLIXAM-CTNGQTDRSA-N 2 2 389.609 3.405 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058807755 1407884216 /nfs/dbraw/zinc/88/42/16/1407884216.db2.gz GSIYWXPXNLIXAM-CTNGQTDRSA-N 2 2 389.609 3.405 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058880894 1407893331 /nfs/dbraw/zinc/89/33/31/1407893331.db2.gz SUQSJBGMZCNVIH-QUCCMNQESA-N 2 2 375.582 3.013 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000058880894 1407893336 /nfs/dbraw/zinc/89/33/36/1407893336.db2.gz SUQSJBGMZCNVIH-QUCCMNQESA-N 2 2 375.582 3.013 20 0 GGADLP CC[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000060626524 1408014065 /nfs/dbraw/zinc/01/40/65/1408014065.db2.gz IGWRSBGIXJMVOV-QHCPKHFHSA-N 2 2 388.515 3.498 20 0 GGADLP CC[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000060626524 1408014071 /nfs/dbraw/zinc/01/40/71/1408014071.db2.gz IGWRSBGIXJMVOV-QHCPKHFHSA-N 2 2 388.515 3.498 20 0 GGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(OC)ccc3OC)cc2)CC1 ZINC000061070125 1408073618 /nfs/dbraw/zinc/07/36/18/1408073618.db2.gz RUVQTFFQCOEFBH-UHFFFAOYSA-N 2 2 383.536 3.131 20 0 GGADLP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(OC)ccc2OC)CC1 ZINC000061070303 1408073779 /nfs/dbraw/zinc/07/37/79/1408073779.db2.gz CRYMGJSBHLJOGO-UHFFFAOYSA-N 2 2 383.536 3.131 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000061858247 1408184333 /nfs/dbraw/zinc/18/43/33/1408184333.db2.gz STEOMVOICAVAIU-UHFFFAOYSA-N 2 2 391.519 3.383 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC000061858247 1408184345 /nfs/dbraw/zinc/18/43/45/1408184345.db2.gz STEOMVOICAVAIU-UHFFFAOYSA-N 2 2 391.519 3.383 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332605 1408339078 /nfs/dbraw/zinc/33/90/78/1408339078.db2.gz GVQQTKQHDJHEDY-UHFFFAOYSA-N 2 2 395.551 3.385 20 0 GGADLP COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1C ZINC000063915654 1408444738 /nfs/dbraw/zinc/44/47/38/1408444738.db2.gz QBPZKWRLJDAOET-UHFFFAOYSA-N 2 2 394.475 3.034 20 0 GGADLP COC(=O)COc1c(C)cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1C ZINC000063916710 1408445222 /nfs/dbraw/zinc/44/52/22/1408445222.db2.gz SSOAABXHDCRYSU-UHFFFAOYSA-N 2 2 379.460 3.331 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000064227880 1408514960 /nfs/dbraw/zinc/51/49/60/1408514960.db2.gz NJKNTXKSBPOMQP-UHFFFAOYSA-N 2 2 395.482 3.463 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000064227880 1408514968 /nfs/dbraw/zinc/51/49/68/1408514968.db2.gz NJKNTXKSBPOMQP-UHFFFAOYSA-N 2 2 395.482 3.463 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000064229763 1408515147 /nfs/dbraw/zinc/51/51/47/1408515147.db2.gz RWYASPBUBFJYIC-UHFFFAOYSA-N 2 2 386.565 3.227 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000064229763 1408515158 /nfs/dbraw/zinc/51/51/58/1408515158.db2.gz RWYASPBUBFJYIC-UHFFFAOYSA-N 2 2 386.565 3.227 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCCCNc2cccc[nH+]2)[NH+]2CCCC2)cc1 ZINC000064237314 1408519640 /nfs/dbraw/zinc/51/96/40/1408519640.db2.gz DIAAYMZXQJDAKT-FQEVSTJZSA-N 2 2 381.524 3.328 20 0 GGADLP FC(F)Oc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000065014182 1408636306 /nfs/dbraw/zinc/63/63/06/1408636306.db2.gz TXVRFZIJBSGCEH-UHFFFAOYSA-N 2 2 392.446 3.289 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)[NH+](C)C)cc1 ZINC000065470068 1408673852 /nfs/dbraw/zinc/67/38/52/1408673852.db2.gz QFIUCFKSEJVLTN-FQEVSTJZSA-N 2 2 386.565 3.187 20 0 GGADLP C[C@@H](CNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000065480871 1408676672 /nfs/dbraw/zinc/67/66/72/1408676672.db2.gz IDAAFILVYAZFIF-JLXBBBJOSA-N 2 2 384.568 3.147 20 0 GGADLP C[NH+](C)Cc1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1 ZINC000065513739 1408682000 /nfs/dbraw/zinc/68/20/00/1408682000.db2.gz GVZBWRLAYTWURK-UHFFFAOYSA-N 2 2 391.475 3.226 20 0 GGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000065890113 1408748916 /nfs/dbraw/zinc/74/89/16/1408748916.db2.gz SOMVAOPHAGCDDX-UHFFFAOYSA-N 2 2 395.334 3.439 20 0 GGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000065933871 1408757150 /nfs/dbraw/zinc/75/71/50/1408757150.db2.gz NLKCFPLQGGHXMD-UHFFFAOYSA-N 2 2 395.334 3.439 20 0 GGADLP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000066042944 1408777822 /nfs/dbraw/zinc/77/78/22/1408777822.db2.gz KQWZUKBSWDBQHB-JOCHJYFZSA-N 2 2 381.520 3.032 20 0 GGADLP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)cc1 ZINC000066042944 1408777825 /nfs/dbraw/zinc/77/78/25/1408777825.db2.gz KQWZUKBSWDBQHB-JOCHJYFZSA-N 2 2 381.520 3.032 20 0 GGADLP C[C@@H]1C[NH+](C[C@H](O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)C[C@@H](C)O1 ZINC000066475756 1408844408 /nfs/dbraw/zinc/84/44/08/1408844408.db2.gz SLVAMZHAJBKYLS-GGPKGHCWSA-N 2 2 394.519 3.119 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000066568358 1408859256 /nfs/dbraw/zinc/85/92/56/1408859256.db2.gz KGZGDUZAXQJDLV-MRXNPFEDSA-N 2 2 379.495 3.292 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1)n1cc[nH+]c1 ZINC000066683947 1408884606 /nfs/dbraw/zinc/88/46/06/1408884606.db2.gz LLFATJOPBCFJAO-KRWDZBQOSA-N 2 2 383.496 3.287 20 0 GGADLP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176552710 1428361049 /nfs/dbraw/zinc/36/10/49/1428361049.db2.gz CZYMFDLMAFAQNK-KDURUIRLSA-N 2 2 390.572 3.347 20 0 GGADLP CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000176552725 1428361096 /nfs/dbraw/zinc/36/10/96/1428361096.db2.gz CZYMFDLMAFAQNK-OALUTQOASA-N 2 2 390.572 3.347 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000066876786 1408939493 /nfs/dbraw/zinc/93/94/93/1408939493.db2.gz JKAUPAVHFIIAMO-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP O=C(COc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCCC1 ZINC000066876645 1408939962 /nfs/dbraw/zinc/93/99/62/1408939962.db2.gz DXQSGTNQWRBWBB-UHFFFAOYSA-N 2 2 390.487 3.163 20 0 GGADLP C[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000066890193 1408942477 /nfs/dbraw/zinc/94/24/77/1408942477.db2.gz BBSMBTTUXODQCL-GOSISDBHSA-N 2 2 389.503 3.118 20 0 GGADLP C[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000066890193 1408942480 /nfs/dbraw/zinc/94/24/80/1408942480.db2.gz BBSMBTTUXODQCL-GOSISDBHSA-N 2 2 389.503 3.118 20 0 GGADLP Fc1cc(C[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1N1CCOCC1 ZINC000066971603 1408969508 /nfs/dbraw/zinc/96/95/08/1408969508.db2.gz ZCXJWCWVJKOJBO-UHFFFAOYSA-N 2 2 380.467 3.197 20 0 GGADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000067044316 1408991545 /nfs/dbraw/zinc/99/15/45/1408991545.db2.gz JHZZCBFHOBICSM-UHFFFAOYSA-N 2 2 383.540 3.055 20 0 GGADLP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067122460 1409013238 /nfs/dbraw/zinc/01/32/38/1409013238.db2.gz DXQZEUFNFFKAGV-FQEVSTJZSA-N 2 2 390.959 3.325 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121160 1409013385 /nfs/dbraw/zinc/01/33/85/1409013385.db2.gz QJDRIPXULNULQP-UHFFFAOYSA-N 2 2 396.869 3.378 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000067532368 1409148283 /nfs/dbraw/zinc/14/82/83/1409148283.db2.gz DGINIXRXGZRXAC-OAQYLSRUSA-N 2 2 377.492 3.283 20 0 GGADLP C[N@H+](CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000067645552 1409194799 /nfs/dbraw/zinc/19/47/99/1409194799.db2.gz ZKVPTNZYDMHMPN-UHFFFAOYSA-N 2 2 395.482 3.333 20 0 GGADLP C[N@@H+](CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)Cc1ccccc1 ZINC000067645552 1409194808 /nfs/dbraw/zinc/19/48/08/1409194808.db2.gz ZKVPTNZYDMHMPN-UHFFFAOYSA-N 2 2 395.482 3.333 20 0 GGADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)o1 ZINC000067646106 1409194889 /nfs/dbraw/zinc/19/48/89/1409194889.db2.gz JXRSICQLAKSBMV-UHFFFAOYSA-N 2 2 399.470 3.186 20 0 GGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000067645826 1409195677 /nfs/dbraw/zinc/19/56/77/1409195677.db2.gz QLDKAMPRBROLHD-KRWDZBQOSA-N 2 2 387.503 3.323 20 0 GGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000067645826 1409195685 /nfs/dbraw/zinc/19/56/85/1409195685.db2.gz QLDKAMPRBROLHD-KRWDZBQOSA-N 2 2 387.503 3.323 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000067668662 1409203237 /nfs/dbraw/zinc/20/32/37/1409203237.db2.gz OFTNRDYIFREAQK-UHFFFAOYSA-N 2 2 391.437 3.383 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccsc1 ZINC000067708907 1409211533 /nfs/dbraw/zinc/21/15/33/1409211533.db2.gz OFNSYGQFMBWZPG-MOPGFXCFSA-N 2 2 389.590 3.257 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccco1 ZINC000067708273 1409211664 /nfs/dbraw/zinc/21/16/64/1409211664.db2.gz GMJRHYNJPCSNKL-FQEVSTJZSA-N 2 2 395.507 3.407 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000176626854 1428383537 /nfs/dbraw/zinc/38/35/37/1428383537.db2.gz RETGYRZBTWUASL-FQEVSTJZSA-N 2 2 387.572 3.204 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000176626854 1428383545 /nfs/dbraw/zinc/38/35/45/1428383545.db2.gz RETGYRZBTWUASL-FQEVSTJZSA-N 2 2 387.572 3.204 20 0 GGADLP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000067736353 1409217962 /nfs/dbraw/zinc/21/79/62/1409217962.db2.gz BKIVSXNUJGUQJY-QRVBRYPASA-N 2 2 388.556 3.148 20 0 GGADLP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000067736353 1409217968 /nfs/dbraw/zinc/21/79/68/1409217968.db2.gz BKIVSXNUJGUQJY-QRVBRYPASA-N 2 2 388.556 3.148 20 0 GGADLP C[C@H]1C[NH+](Cc2ccc(C(=O)NCC[NH+]3Cc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000068254615 1409340154 /nfs/dbraw/zinc/34/01/54/1409340154.db2.gz KZMGEMPAUCWLCD-OALUTQOASA-N 2 2 393.531 3.041 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000068364257 1409380565 /nfs/dbraw/zinc/38/05/65/1409380565.db2.gz JQRVQFMOHIFHJW-OAHLLOKOSA-N 2 2 397.445 3.064 20 0 GGADLP CC[N@H+](C)[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000068420792 1409397160 /nfs/dbraw/zinc/39/71/60/1409397160.db2.gz GFGIDQGETKSURB-QFIPXVFZSA-N 2 2 380.536 3.066 20 0 GGADLP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000068420792 1409397166 /nfs/dbraw/zinc/39/71/66/1409397166.db2.gz GFGIDQGETKSURB-QFIPXVFZSA-N 2 2 380.536 3.066 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000068637517 1409452932 /nfs/dbraw/zinc/45/29/32/1409452932.db2.gz NKGPWBPLSSBPDX-HXUWFJFHSA-N 2 2 382.508 3.122 20 0 GGADLP COc1cc2c(cc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)O[C@@H](C)C2 ZINC000069171092 1409580300 /nfs/dbraw/zinc/58/03/00/1409580300.db2.gz FPSCXYQELYADKA-PGRDOPGGSA-N 2 2 395.547 3.097 20 0 GGADLP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069171176 1409580327 /nfs/dbraw/zinc/58/03/27/1409580327.db2.gz KXYJGOHOJIYAJJ-XMMPIXPASA-N 2 2 389.547 3.259 20 0 GGADLP COc1cc2c(cc1C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)O[C@H](C)C2 ZINC000069171086 1409580357 /nfs/dbraw/zinc/58/03/57/1409580357.db2.gz FPSCXYQELYADKA-GCJKJVERSA-N 2 2 395.547 3.097 20 0 GGADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2cnc(-c3ccccc3)nc2)c2ccccc2)CC1 ZINC000069170986 1409580477 /nfs/dbraw/zinc/58/04/77/1409580477.db2.gz QVOWKGLWCVMZAH-QHCPKHFHSA-N 2 2 387.531 3.222 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1SC ZINC000069221665 1409589386 /nfs/dbraw/zinc/58/93/86/1409589386.db2.gz PLPHUFAUPXVIIR-HDICACEKSA-N 2 2 377.598 3.408 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1SC ZINC000069221665 1409589390 /nfs/dbraw/zinc/58/93/90/1409589390.db2.gz PLPHUFAUPXVIIR-HDICACEKSA-N 2 2 377.598 3.408 20 0 GGADLP COc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1O ZINC000069748068 1409691020 /nfs/dbraw/zinc/69/10/20/1409691020.db2.gz MVIZBVMCQZHWRG-UHFFFAOYSA-N 2 2 383.536 3.088 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1 ZINC000069973722 1409733360 /nfs/dbraw/zinc/73/33/60/1409733360.db2.gz KXFDSBHDGGONPI-SFTDATJTSA-N 2 2 383.561 3.196 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1cccs1 ZINC000069975724 1409733818 /nfs/dbraw/zinc/73/38/18/1409733818.db2.gz LDWKIQOBKIXUTL-IEBWSBKVSA-N 2 2 389.590 3.257 20 0 GGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000070026967 1409741636 /nfs/dbraw/zinc/74/16/36/1409741636.db2.gz GSIYWXPXNLIXAM-PZJWPPBQSA-N 2 2 389.609 3.405 20 0 GGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000070026967 1409741642 /nfs/dbraw/zinc/74/16/42/1409741642.db2.gz GSIYWXPXNLIXAM-PZJWPPBQSA-N 2 2 389.609 3.405 20 0 GGADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000070031735 1409742368 /nfs/dbraw/zinc/74/23/68/1409742368.db2.gz RMTZQFCIERSFBU-NRFANRHFSA-N 2 2 399.560 3.356 20 0 GGADLP CC(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000070450357 1409746983 /nfs/dbraw/zinc/74/69/83/1409746983.db2.gz AIOMAQPRACEDJI-HXUWFJFHSA-N 2 2 375.582 3.013 20 0 GGADLP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2ccc(C)cc2Cl)CC1 ZINC000072694628 1409852508 /nfs/dbraw/zinc/85/25/08/1409852508.db2.gz GBGUCEYNLXONFD-UHFFFAOYSA-N 2 2 381.948 3.410 20 0 GGADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000072868226 1409854274 /nfs/dbraw/zinc/85/42/74/1409854274.db2.gz PTGBUFWRPSVELM-OFNKIYASSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000072868226 1409854279 /nfs/dbraw/zinc/85/42/79/1409854279.db2.gz PTGBUFWRPSVELM-OFNKIYASSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000072868226 1409854280 /nfs/dbraw/zinc/85/42/80/1409854280.db2.gz PTGBUFWRPSVELM-OFNKIYASSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000072868226 1409854281 /nfs/dbraw/zinc/85/42/81/1409854281.db2.gz PTGBUFWRPSVELM-OFNKIYASSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000072868230 1409854692 /nfs/dbraw/zinc/85/46/92/1409854692.db2.gz PTGBUFWRPSVELM-REWPJTCUSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000072868230 1409854695 /nfs/dbraw/zinc/85/46/95/1409854695.db2.gz PTGBUFWRPSVELM-REWPJTCUSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000072868230 1409854696 /nfs/dbraw/zinc/85/46/96/1409854696.db2.gz PTGBUFWRPSVELM-REWPJTCUSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000072868230 1409854697 /nfs/dbraw/zinc/85/46/97/1409854697.db2.gz PTGBUFWRPSVELM-REWPJTCUSA-N 2 2 379.548 3.454 20 0 GGADLP CC[C@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000073794984 1409865826 /nfs/dbraw/zinc/86/58/26/1409865826.db2.gz CGXJRFHQYRLPLJ-KRWDZBQOSA-N 2 2 378.586 3.449 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000073881798 1409866659 /nfs/dbraw/zinc/86/66/59/1409866659.db2.gz QXVOBOVGRYNBPD-SFHVURJKSA-N 2 2 375.561 3.060 20 0 GGADLP Cc1sc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)c1C ZINC000075675887 1409882558 /nfs/dbraw/zinc/88/25/58/1409882558.db2.gz RFAHJLJXGFVSEY-UHFFFAOYSA-N 2 2 379.570 3.046 20 0 GGADLP CC[N@@H+](CC(=O)NCc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108918 1409885496 /nfs/dbraw/zinc/88/54/96/1409885496.db2.gz HPIMLUAKMMSHKR-UHFFFAOYSA-N 2 2 380.536 3.245 20 0 GGADLP CC[N@H+](CC(=O)NCc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108918 1409885497 /nfs/dbraw/zinc/88/54/97/1409885497.db2.gz HPIMLUAKMMSHKR-UHFFFAOYSA-N 2 2 380.536 3.245 20 0 GGADLP Cc1nc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000076331701 1409887741 /nfs/dbraw/zinc/88/77/41/1409887741.db2.gz XNIPFNJFYXTPQT-UHFFFAOYSA-N 2 2 375.542 3.094 20 0 GGADLP Cc1nc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2s1 ZINC000076331701 1409887742 /nfs/dbraw/zinc/88/77/42/1409887742.db2.gz XNIPFNJFYXTPQT-UHFFFAOYSA-N 2 2 375.542 3.094 20 0 GGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000079394161 1409973811 /nfs/dbraw/zinc/97/38/11/1409973811.db2.gz PHMHMVTZCZRKGP-GOSISDBHSA-N 2 2 378.586 3.087 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](Cc3cccs3)CC2)C1 ZINC000079394161 1409973826 /nfs/dbraw/zinc/97/38/26/1409973826.db2.gz PHMHMVTZCZRKGP-GOSISDBHSA-N 2 2 378.586 3.087 20 0 GGADLP CC(C)(C)c1n[nH]cc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000079920742 1409992347 /nfs/dbraw/zinc/99/23/47/1409992347.db2.gz ARMSVRHXXQFMFT-UHFFFAOYSA-N 2 2 383.584 3.395 20 0 GGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000080190631 1410002433 /nfs/dbraw/zinc/00/24/33/1410002433.db2.gz QEVMHQVRQQIVOP-UHFFFAOYSA-N 2 2 382.552 3.166 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000080190631 1410002440 /nfs/dbraw/zinc/00/24/40/1410002440.db2.gz QEVMHQVRQQIVOP-UHFFFAOYSA-N 2 2 382.552 3.166 20 0 GGADLP c1[nH]nc2c1cccc2C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000084015898 1410033794 /nfs/dbraw/zinc/03/37/94/1410033794.db2.gz OILZYJOECYUBPV-UHFFFAOYSA-N 2 2 377.536 3.251 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccc(-n4ccnc4)nc3)CC2)cc1 ZINC000084672820 1410037706 /nfs/dbraw/zinc/03/77/06/1410037706.db2.gz MSSXTDDOYNMVHR-UHFFFAOYSA-N 2 2 376.508 3.092 20 0 GGADLP CC(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000090003655 1410060378 /nfs/dbraw/zinc/06/03/78/1410060378.db2.gz QAATUFBHOLSDIU-TZIWHRDSSA-N 2 2 382.552 3.231 20 0 GGADLP CC(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000090003655 1410060388 /nfs/dbraw/zinc/06/03/88/1410060388.db2.gz QAATUFBHOLSDIU-TZIWHRDSSA-N 2 2 382.552 3.231 20 0 GGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090525614 1410064413 /nfs/dbraw/zinc/06/44/13/1410064413.db2.gz UIZHQDBFPNUYRZ-ZEQRLZLVSA-N 3 2 385.596 3.051 20 0 GGADLP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090525610 1410064565 /nfs/dbraw/zinc/06/45/65/1410064565.db2.gz UIZHQDBFPNUYRZ-RPWUZVMVSA-N 3 2 385.596 3.051 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000090668032 1410066372 /nfs/dbraw/zinc/06/63/72/1410066372.db2.gz SSZRSDCJVNGODD-IBGZPJMESA-N 2 2 379.552 3.256 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000091506732 1410074096 /nfs/dbraw/zinc/07/40/96/1410074096.db2.gz JRZRHFGPDUHKHL-OAQYLSRUSA-N 2 2 379.548 3.114 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000091895736 1410091594 /nfs/dbraw/zinc/09/15/94/1410091594.db2.gz AHSMODSKSOQCEI-GOSISDBHSA-N 2 2 395.522 3.353 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2cc(F)ccc2C1 ZINC000091895736 1410091598 /nfs/dbraw/zinc/09/15/98/1410091598.db2.gz AHSMODSKSOQCEI-GOSISDBHSA-N 2 2 395.522 3.353 20 0 GGADLP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cc(F)c(F)cc2F)CC1 ZINC000092427113 1410156933 /nfs/dbraw/zinc/15/69/33/1410156933.db2.gz PLWXRDHILISJLP-UHFFFAOYSA-N 2 2 385.474 3.020 20 0 GGADLP C[N@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645228 1410182303 /nfs/dbraw/zinc/18/23/03/1410182303.db2.gz ACGURIVZRZXQTR-UHFFFAOYSA-N 2 2 379.552 3.216 20 0 GGADLP C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645228 1410182310 /nfs/dbraw/zinc/18/23/10/1410182310.db2.gz ACGURIVZRZXQTR-UHFFFAOYSA-N 2 2 379.552 3.216 20 0 GGADLP C[N@H+](Cc1c[nH]nc1-c1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645333 1410182585 /nfs/dbraw/zinc/18/25/85/1410182585.db2.gz IDVOWQYJUXBPNO-UHFFFAOYSA-N 2 2 376.508 3.006 20 0 GGADLP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645333 1410182594 /nfs/dbraw/zinc/18/25/94/1410182594.db2.gz IDVOWQYJUXBPNO-UHFFFAOYSA-N 2 2 376.508 3.006 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000092665358 1410185080 /nfs/dbraw/zinc/18/50/80/1410185080.db2.gz ACISPCJFQZCGHG-HDICACEKSA-N 2 2 385.531 3.206 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000092665358 1410185085 /nfs/dbraw/zinc/18/50/85/1410185085.db2.gz ACISPCJFQZCGHG-HDICACEKSA-N 2 2 385.531 3.206 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(Cl)cccc3OC)CC2)CC1 ZINC000093141541 1410224964 /nfs/dbraw/zinc/22/49/64/1410224964.db2.gz ZAULFPLDXQPMOU-UHFFFAOYSA-N 2 2 393.959 3.115 20 0 GGADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CCc4cc(-c5ccccc5)oc4C3)cn2)CC1 ZINC000093898442 1410280446 /nfs/dbraw/zinc/28/04/46/1410280446.db2.gz QJKXGECBWNDEIU-UHFFFAOYSA-N 2 2 389.503 3.047 20 0 GGADLP C[NH+]1CCN(c2ncc(C[N@H+]3CCc4cc(-c5ccccc5)oc4C3)cn2)CC1 ZINC000093898442 1410280454 /nfs/dbraw/zinc/28/04/54/1410280454.db2.gz QJKXGECBWNDEIU-UHFFFAOYSA-N 2 2 389.503 3.047 20 0 GGADLP Cn1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c(C(C)(C)C)n1 ZINC000093947963 1410289115 /nfs/dbraw/zinc/28/91/15/1410289115.db2.gz BEGOJDZHCAXXNF-UHFFFAOYSA-N 2 2 397.611 3.405 20 0 GGADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 ZINC000098144279 1410433897 /nfs/dbraw/zinc/43/38/97/1410433897.db2.gz STJLVRWFQJAZGO-HNAYVOBHSA-N 2 2 376.447 3.358 20 0 GGADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC(F)F)cc1 ZINC000098144279 1410433902 /nfs/dbraw/zinc/43/39/02/1410433902.db2.gz STJLVRWFQJAZGO-HNAYVOBHSA-N 2 2 376.447 3.358 20 0 GGADLP Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000101691635 1410491717 /nfs/dbraw/zinc/49/17/17/1410491717.db2.gz QYICLDOMLUXAKU-UHFFFAOYSA-N 2 2 380.536 3.155 20 0 GGADLP Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000101691635 1410491721 /nfs/dbraw/zinc/49/17/21/1410491721.db2.gz QYICLDOMLUXAKU-UHFFFAOYSA-N 2 2 380.536 3.155 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1ccco1 ZINC000101995555 1410539730 /nfs/dbraw/zinc/53/97/30/1410539730.db2.gz QJAZQUKIHPLWNA-IBGZPJMESA-N 2 2 381.480 3.348 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccco1 ZINC000101999272 1410540461 /nfs/dbraw/zinc/54/04/61/1410540461.db2.gz SPSIWTXKPSAMFT-LJQANCHMSA-N 2 2 399.470 3.487 20 0 GGADLP Cc1ccccc1C(C)(C)CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000102013593 1410543948 /nfs/dbraw/zinc/54/39/48/1410543948.db2.gz OEZFAHJJAABRBZ-UHFFFAOYSA-N 2 2 386.584 3.130 20 0 GGADLP O[C@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000102780382 1410748201 /nfs/dbraw/zinc/74/82/01/1410748201.db2.gz AYBVOAILJNRIAV-GOSISDBHSA-N 2 2 380.410 3.094 20 0 GGADLP O[C@H](C[NH2+]Cc1cccc(OC(F)(F)F)c1)C[N@H+]1CCc2ccccc2C1 ZINC000102780382 1410748220 /nfs/dbraw/zinc/74/82/20/1410748220.db2.gz AYBVOAILJNRIAV-GOSISDBHSA-N 2 2 380.410 3.094 20 0 GGADLP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000176885535 1428512184 /nfs/dbraw/zinc/51/21/84/1428512184.db2.gz FWLLYKCWFXRKGB-HXUWFJFHSA-N 2 2 381.524 3.047 20 0 GGADLP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000176885535 1428512188 /nfs/dbraw/zinc/51/21/88/1428512188.db2.gz FWLLYKCWFXRKGB-HXUWFJFHSA-N 2 2 381.524 3.047 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCCC1 ZINC000103298658 1410844254 /nfs/dbraw/zinc/84/42/54/1410844254.db2.gz FTXSRAFIPVWJPI-FQEVSTJZSA-N 2 2 397.523 3.075 20 0 GGADLP Cc1cc(C(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1C1CC1 ZINC000103481214 1410862693 /nfs/dbraw/zinc/86/26/93/1410862693.db2.gz CSYKVCJPWCJYOP-HDICACEKSA-N 2 2 387.568 3.444 20 0 GGADLP Cc1cc(C(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1C1CC1 ZINC000103481214 1410862694 /nfs/dbraw/zinc/86/26/94/1410862694.db2.gz CSYKVCJPWCJYOP-HDICACEKSA-N 2 2 387.568 3.444 20 0 GGADLP CC[N@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103611545 1410868847 /nfs/dbraw/zinc/86/88/47/1410868847.db2.gz ZHXDHNZHSNVIMH-UHFFFAOYSA-N 2 2 391.519 3.349 20 0 GGADLP CC[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000103611545 1410868849 /nfs/dbraw/zinc/86/88/49/1410868849.db2.gz ZHXDHNZHSNVIMH-UHFFFAOYSA-N 2 2 391.519 3.349 20 0 GGADLP CC(C)(C)c1ccc(OCCC[NH+]2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104068346 1410883898 /nfs/dbraw/zinc/88/38/98/1410883898.db2.gz TZHOSDPWVCDMIL-OAQYLSRUSA-N 2 2 387.568 3.167 20 0 GGADLP CC(C)(C)c1ccc(OCCC[NH+]2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000104068346 1410883899 /nfs/dbraw/zinc/88/38/99/1410883899.db2.gz TZHOSDPWVCDMIL-OAQYLSRUSA-N 2 2 387.568 3.167 20 0 GGADLP COc1ccc(NC(=[NH2+])NCc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000104164662 1410886302 /nfs/dbraw/zinc/88/63/02/1410886302.db2.gz VPJMBPGDFDJBIQ-UHFFFAOYSA-N 2 2 388.899 3.108 20 0 GGADLP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000104333255 1410892367 /nfs/dbraw/zinc/89/23/67/1410892367.db2.gz UJRJRNLTLCYNKL-FQEVSTJZSA-N 2 2 386.540 3.232 20 0 GGADLP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000104333255 1410892370 /nfs/dbraw/zinc/89/23/70/1410892370.db2.gz UJRJRNLTLCYNKL-FQEVSTJZSA-N 2 2 386.540 3.232 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2)C[C@@H](C)O1 ZINC000176938525 1428526335 /nfs/dbraw/zinc/52/63/35/1428526335.db2.gz LYUAOPRUZYNYLR-IAGOWNOFSA-N 2 2 382.508 3.005 20 0 GGADLP CC[C@H](C)[C@H](C)[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000104965965 1411005198 /nfs/dbraw/zinc/00/51/98/1411005198.db2.gz QMUDNRHHPFQRKX-OALUTQOASA-N 2 2 387.568 3.034 20 0 GGADLP CC[C@H](C)[C@H](C)[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000104965965 1411005206 /nfs/dbraw/zinc/00/52/06/1411005206.db2.gz QMUDNRHHPFQRKX-OALUTQOASA-N 2 2 387.568 3.034 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105105319 1411028809 /nfs/dbraw/zinc/02/88/09/1411028809.db2.gz JVJJRLXJFLYNDV-NRFANRHFSA-N 2 2 395.551 3.134 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000105131814 1411032943 /nfs/dbraw/zinc/03/29/43/1411032943.db2.gz ZBUMRNXIEZQNSE-HNNXBMFYSA-N 2 2 398.498 3.016 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000105131814 1411032952 /nfs/dbraw/zinc/03/29/52/1411032952.db2.gz ZBUMRNXIEZQNSE-HNNXBMFYSA-N 2 2 398.498 3.016 20 0 GGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105145205 1411034247 /nfs/dbraw/zinc/03/42/47/1411034247.db2.gz CLOYOMIKFITNOK-IBGZPJMESA-N 2 2 390.572 3.269 20 0 GGADLP Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105145205 1411034257 /nfs/dbraw/zinc/03/42/57/1411034257.db2.gz CLOYOMIKFITNOK-IBGZPJMESA-N 2 2 390.572 3.269 20 0 GGADLP C[C@H](CNC(=O)NCCCCNc1cccc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000105149690 1411035207 /nfs/dbraw/zinc/03/52/07/1411035207.db2.gz KNPJRECGTULNTD-GOSISDBHSA-N 2 2 381.524 3.020 20 0 GGADLP C[C@H](CNC(=O)NCCCCNc1cccc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000105149690 1411035216 /nfs/dbraw/zinc/03/52/16/1411035216.db2.gz KNPJRECGTULNTD-GOSISDBHSA-N 2 2 381.524 3.020 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000105161615 1411036833 /nfs/dbraw/zinc/03/68/33/1411036833.db2.gz DTGHKKINUNLTAX-UHFFFAOYSA-N 2 2 399.514 3.377 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000105204724 1411041395 /nfs/dbraw/zinc/04/13/95/1411041395.db2.gz ZDAOJDPRRWDFKT-UHFFFAOYSA-N 2 2 394.991 3.285 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000105204724 1411041404 /nfs/dbraw/zinc/04/14/04/1411041404.db2.gz ZDAOJDPRRWDFKT-UHFFFAOYSA-N 2 2 394.991 3.285 20 0 GGADLP CCOc1ccccc1[C@@H](CC)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105221458 1411043527 /nfs/dbraw/zinc/04/35/27/1411043527.db2.gz QSLQBBDJGIGWMT-HXUWFJFHSA-N 2 2 390.572 3.204 20 0 GGADLP CCOc1ccccc1[C@@H](CC)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105221458 1411043534 /nfs/dbraw/zinc/04/35/34/1411043534.db2.gz QSLQBBDJGIGWMT-HXUWFJFHSA-N 2 2 390.572 3.204 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCCCCNc2cccc[nH+]2)[NH+]2CCCC2)o1 ZINC000105222234 1411043674 /nfs/dbraw/zinc/04/36/74/1411043674.db2.gz LJTDPGSFZZUOIF-GOSISDBHSA-N 2 2 385.512 3.311 20 0 GGADLP CC1(C)Cc2cc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)ccc2O1 ZINC000105424409 1411065147 /nfs/dbraw/zinc/06/51/47/1411065147.db2.gz WNTDGRREFCLAGP-UHFFFAOYSA-N 2 2 396.531 3.401 20 0 GGADLP C[C@@H]([NH2+]Cc1nc2ccccc2n1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462731 1411069372 /nfs/dbraw/zinc/06/93/72/1411069372.db2.gz ZQQSFULXUCIZBZ-MRXNPFEDSA-N 2 2 381.499 3.315 20 0 GGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000106214107 1411181068 /nfs/dbraw/zinc/18/10/68/1411181068.db2.gz PJQLPODIPBSUEM-ROUUACIJSA-N 2 2 397.523 3.436 20 0 GGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000106214107 1411181077 /nfs/dbraw/zinc/18/10/77/1411181077.db2.gz PJQLPODIPBSUEM-ROUUACIJSA-N 2 2 397.523 3.436 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000106214104 1411181256 /nfs/dbraw/zinc/18/12/56/1411181256.db2.gz PJQLPODIPBSUEM-ZWKOTPCHSA-N 2 2 397.523 3.436 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000106214104 1411181261 /nfs/dbraw/zinc/18/12/61/1411181261.db2.gz PJQLPODIPBSUEM-ZWKOTPCHSA-N 2 2 397.523 3.436 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106512238 1411226758 /nfs/dbraw/zinc/22/67/58/1411226758.db2.gz UJQLCPJGTAANNL-INIZCTEOSA-N 2 2 389.931 3.136 20 0 GGADLP Cc1nc(CCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)oc1-c1ccccc1 ZINC000106927468 1411321446 /nfs/dbraw/zinc/32/14/46/1411321446.db2.gz LEWZXFFTMBQJAO-UHFFFAOYSA-N 2 2 398.551 3.067 20 0 GGADLP Cc1nc(CCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)oc1-c1ccccc1 ZINC000106927468 1411321453 /nfs/dbraw/zinc/32/14/53/1411321453.db2.gz LEWZXFFTMBQJAO-UHFFFAOYSA-N 2 2 398.551 3.067 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000107237823 1411353918 /nfs/dbraw/zinc/35/39/18/1411353918.db2.gz URTBSWCDOQJQBW-VQTJNVASSA-N 2 2 375.944 3.118 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)CC1 ZINC000107372290 1411365997 /nfs/dbraw/zinc/36/59/97/1411365997.db2.gz SYNWETBJYJRLNW-PMACEKPBSA-N 2 2 386.584 3.157 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)CC1 ZINC000107372290 1411366003 /nfs/dbraw/zinc/36/60/03/1411366003.db2.gz SYNWETBJYJRLNW-PMACEKPBSA-N 2 2 386.584 3.157 20 0 GGADLP C[NH+](C)CCCOc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000107386137 1411369195 /nfs/dbraw/zinc/36/91/95/1411369195.db2.gz MZIGABJXZMIMJJ-UHFFFAOYSA-N 2 2 397.523 3.334 20 0 GGADLP CC(C)[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH+]1CCCCCC1 ZINC000107937110 1411428895 /nfs/dbraw/zinc/42/88/95/1411428895.db2.gz RSERDFUMEFQASK-FQEVSTJZSA-N 2 2 387.572 3.382 20 0 GGADLP CC(C)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH+]1CCCCCC1 ZINC000107937107 1411428918 /nfs/dbraw/zinc/42/89/18/1411428918.db2.gz RSERDFUMEFQASK-HXUWFJFHSA-N 2 2 387.572 3.382 20 0 GGADLP Cc1ccc(C[C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000108885648 1411631522 /nfs/dbraw/zinc/63/15/22/1411631522.db2.gz XXTVHSNNNKIQND-IBGZPJMESA-N 2 2 386.584 3.092 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(Br)c2)nc[nH+]1 ZINC000109070258 1411675568 /nfs/dbraw/zinc/67/55/68/1411675568.db2.gz DVIQQMNWTOLKAX-OAHLLOKOSA-N 2 2 376.302 3.039 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@@H](C)c2cccc(O)c2)CC1 ZINC000109781065 1411809844 /nfs/dbraw/zinc/80/98/44/1411809844.db2.gz SLOGHLQIBOGRCB-FQEVSTJZSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)c2cccc(O)c2)CC1 ZINC000109781065 1411809846 /nfs/dbraw/zinc/80/98/46/1411809846.db2.gz SLOGHLQIBOGRCB-FQEVSTJZSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2cccc(O)c2)CC1 ZINC000109781065 1411809847 /nfs/dbraw/zinc/80/98/47/1411809847.db2.gz SLOGHLQIBOGRCB-FQEVSTJZSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)c2cccc(O)c2)CC1 ZINC000109781065 1411809848 /nfs/dbraw/zinc/80/98/48/1411809848.db2.gz SLOGHLQIBOGRCB-FQEVSTJZSA-N 2 2 395.547 3.428 20 0 GGADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109796743 1411811047 /nfs/dbraw/zinc/81/10/47/1411811047.db2.gz YNRGQVAEMHXFCJ-QGZVFWFLSA-N 2 2 397.523 3.029 20 0 GGADLP C[C@@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796175 1411811063 /nfs/dbraw/zinc/81/10/63/1411811063.db2.gz HDLJFRREKYFFCB-INIZCTEOSA-N 2 2 390.915 3.099 20 0 GGADLP OC[C@@H]1CCCN(c2cc(NCc3ccc(C[NH+]4CCCCC4)cc3)[nH+]cn2)C1 ZINC000110123760 1411832719 /nfs/dbraw/zinc/83/27/19/1411832719.db2.gz GYTWEZKZFMYZOZ-OAQYLSRUSA-N 2 2 395.551 3.283 20 0 GGADLP OC[C@@H]1CCCN(c2cc(NCc3ccc(C[NH+]4CCCCC4)cc3)nc[nH+]2)C1 ZINC000110123760 1411832721 /nfs/dbraw/zinc/83/27/21/1411832721.db2.gz GYTWEZKZFMYZOZ-OAQYLSRUSA-N 2 2 395.551 3.283 20 0 GGADLP C[C@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110675282 1411863366 /nfs/dbraw/zinc/86/33/66/1411863366.db2.gz ZMKISPWYPTZZHO-LJQANCHMSA-N 2 2 380.536 3.390 20 0 GGADLP C[C@H](CSc1ccccc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000110674611 1411863394 /nfs/dbraw/zinc/86/33/94/1411863394.db2.gz JPMSTBDOPZWYNS-QGZVFWFLSA-N 2 2 375.582 3.090 20 0 GGADLP CC[NH+](CC)[C@@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000111034714 1411883322 /nfs/dbraw/zinc/88/33/22/1411883322.db2.gz DEUPZRBYZSDBKJ-OAQYLSRUSA-N 2 2 387.568 3.221 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243709 1411897565 /nfs/dbraw/zinc/89/75/65/1411897565.db2.gz RMVYPWIRSXIWPJ-AWEZNQCLSA-N 2 2 378.879 3.360 20 0 GGADLP C[C@H]1CCc2c(sc3nc(CC[NH+]4CCC(n5cc[nH+]c5)CC4)nc(N)c32)C1 ZINC000111244447 1411897695 /nfs/dbraw/zinc/89/76/95/1411897695.db2.gz HNCPWBORVJWPSF-AWEZNQCLSA-N 2 2 396.564 3.474 20 0 GGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000111448622 1411958110 /nfs/dbraw/zinc/95/81/10/1411958110.db2.gz VEQGCYJXURAKNH-GOSISDBHSA-N 2 2 387.572 3.382 20 0 GGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000111448622 1411958141 /nfs/dbraw/zinc/95/81/41/1411958141.db2.gz VEQGCYJXURAKNH-GOSISDBHSA-N 2 2 387.572 3.382 20 0 GGADLP O=C(NCCCCC[NH+]1CCCCC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000111518643 1411986419 /nfs/dbraw/zinc/98/64/19/1411986419.db2.gz XHGPOZYHXSCLEU-UHFFFAOYSA-N 2 2 378.586 3.232 20 0 GGADLP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000111742412 1412022632 /nfs/dbraw/zinc/02/26/32/1412022632.db2.gz VXYCLJUUBYMECE-UHFFFAOYSA-N 2 2 399.564 3.343 20 0 GGADLP CC(C)(CCc1ccccc1)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000177187552 1428621416 /nfs/dbraw/zinc/62/14/16/1428621416.db2.gz MZSKHCPRMXOPOY-UHFFFAOYSA-N 2 2 395.547 3.458 20 0 GGADLP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1c1ccccc1F ZINC000112366688 1412136198 /nfs/dbraw/zinc/13/61/98/1412136198.db2.gz SZAVKFOMLWTZON-NRFANRHFSA-N 2 2 381.495 3.228 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnc1Nc1ccccc1F ZINC000112921398 1412241086 /nfs/dbraw/zinc/24/10/86/1412241086.db2.gz MDZSWMSOXZNIBA-UHFFFAOYSA-N 2 2 399.514 3.062 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnc1Nc1ccccc1F ZINC000112921398 1412241095 /nfs/dbraw/zinc/24/10/95/1412241095.db2.gz MDZSWMSOXZNIBA-UHFFFAOYSA-N 2 2 399.514 3.062 20 0 GGADLP C[C@@H](C[NH2+]Cc1csc(COc2ccc(Cl)cc2)n1)N1CC[NH+](C)CC1 ZINC000113336569 1412294061 /nfs/dbraw/zinc/29/40/61/1412294061.db2.gz HKYWXSABQBALTH-HNNXBMFYSA-N 2 2 394.972 3.101 20 0 GGADLP Cc1ccc(C[C@@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000113388617 1412302942 /nfs/dbraw/zinc/30/29/42/1412302942.db2.gz KUBMROWXXSJLQH-QHCPKHFHSA-N 2 2 398.595 3.270 20 0 GGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000113595412 1412319450 /nfs/dbraw/zinc/31/94/50/1412319450.db2.gz NSMXYJOROKZDIU-KRWDZBQOSA-N 2 2 383.540 3.191 20 0 GGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000113934108 1412354322 /nfs/dbraw/zinc/35/43/22/1412354322.db2.gz ISZIBFYUWFXVTQ-DLBZAZTESA-N 2 2 388.943 3.434 20 0 GGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000113934108 1412354327 /nfs/dbraw/zinc/35/43/27/1412354327.db2.gz ISZIBFYUWFXVTQ-DLBZAZTESA-N 2 2 388.943 3.434 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000113934108 1412354331 /nfs/dbraw/zinc/35/43/31/1412354331.db2.gz ISZIBFYUWFXVTQ-DLBZAZTESA-N 2 2 388.943 3.434 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000113934108 1412354337 /nfs/dbraw/zinc/35/43/37/1412354337.db2.gz ISZIBFYUWFXVTQ-DLBZAZTESA-N 2 2 388.943 3.434 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(c4ccccc4)CCCC3)CC2)CC1 ZINC000114024517 1412370495 /nfs/dbraw/zinc/37/04/95/1412370495.db2.gz OLDSLGJTPGZNJY-UHFFFAOYSA-N 2 2 384.568 3.314 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000114785368 1412524163 /nfs/dbraw/zinc/52/41/63/1412524163.db2.gz NDPCLFSXHZHKBB-UXHICEINSA-N 2 2 387.572 3.124 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000114785368 1412524173 /nfs/dbraw/zinc/52/41/73/1412524173.db2.gz NDPCLFSXHZHKBB-UXHICEINSA-N 2 2 387.572 3.124 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000114827015 1412534301 /nfs/dbraw/zinc/53/43/01/1412534301.db2.gz SZFONGJJJIEDDW-IBGZPJMESA-N 2 2 395.551 3.122 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c1 ZINC000114827015 1412534313 /nfs/dbraw/zinc/53/43/13/1412534313.db2.gz SZFONGJJJIEDDW-IBGZPJMESA-N 2 2 395.551 3.122 20 0 GGADLP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255375 1428656136 /nfs/dbraw/zinc/65/61/36/1428656136.db2.gz RMLYXAJTGXXMEB-QHCPKHFHSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177255375 1428656149 /nfs/dbraw/zinc/65/61/49/1428656149.db2.gz RMLYXAJTGXXMEB-QHCPKHFHSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1ccc(C)c(OC[C@H](O)C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177260563 1428658180 /nfs/dbraw/zinc/65/81/80/1428658180.db2.gz ARJQKVGZOMIDRJ-HSZRJFAPSA-N 2 2 397.563 3.077 20 0 GGADLP Cc1ccc(C)c(OC[C@H](O)C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177260563 1428658183 /nfs/dbraw/zinc/65/81/83/1428658183.db2.gz ARJQKVGZOMIDRJ-HSZRJFAPSA-N 2 2 397.563 3.077 20 0 GGADLP C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000115554167 1412708843 /nfs/dbraw/zinc/70/88/43/1412708843.db2.gz CBZFFFRDKMLHAN-SIKLNZKXSA-N 2 2 393.531 3.335 20 0 GGADLP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000115554167 1412708850 /nfs/dbraw/zinc/70/88/50/1412708850.db2.gz CBZFFFRDKMLHAN-SIKLNZKXSA-N 2 2 393.531 3.335 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000115782674 1412788741 /nfs/dbraw/zinc/78/87/41/1412788741.db2.gz IMYNCZDSJDMRRD-HSZRJFAPSA-N 2 2 388.515 3.460 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000115782674 1412788749 /nfs/dbraw/zinc/78/87/49/1412788749.db2.gz IMYNCZDSJDMRRD-HSZRJFAPSA-N 2 2 388.515 3.460 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000116385491 1412853701 /nfs/dbraw/zinc/85/37/01/1412853701.db2.gz HNTNYJMNLZCZHU-YKSBVNFPSA-N 3 2 396.579 3.412 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000116385491 1412853703 /nfs/dbraw/zinc/85/37/03/1412853703.db2.gz HNTNYJMNLZCZHU-YKSBVNFPSA-N 3 2 396.579 3.412 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)Cc1cn2cccc(C)c2[nH+]1)Cc1ccccc1 ZINC000116496944 1412868700 /nfs/dbraw/zinc/86/87/00/1412868700.db2.gz AWPCOHYLDOHEPJ-NRFANRHFSA-N 2 2 378.520 3.255 20 0 GGADLP O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000116544795 1412874898 /nfs/dbraw/zinc/87/48/98/1412874898.db2.gz SLLHLSXZQQVNQO-UHFFFAOYSA-N 2 2 396.560 3.029 20 0 GGADLP CC[NH+]1CCN(c2ccccc2NC(=O)c2cccc(-n3cc[nH+]c3)c2)CC1 ZINC000117578143 1413053582 /nfs/dbraw/zinc/05/35/82/1413053582.db2.gz APWAMGMFUHTJMP-UHFFFAOYSA-N 2 2 375.476 3.267 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177343861 1428700129 /nfs/dbraw/zinc/70/01/29/1428700129.db2.gz WMXDJJSLFYUIJE-UHFFFAOYSA-N 2 2 385.556 3.278 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000118770215 1413217129 /nfs/dbraw/zinc/21/71/29/1413217129.db2.gz JUPBWWKDLJQKAG-KDURUIRLSA-N 2 2 398.551 3.322 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000118770215 1413217142 /nfs/dbraw/zinc/21/71/42/1413217142.db2.gz JUPBWWKDLJQKAG-KDURUIRLSA-N 2 2 398.551 3.322 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000118805866 1413225121 /nfs/dbraw/zinc/22/51/21/1413225121.db2.gz LLQIJLMIDUORQG-CEXWTWQISA-N 2 2 388.556 3.101 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000118805866 1413225129 /nfs/dbraw/zinc/22/51/29/1413225129.db2.gz LLQIJLMIDUORQG-CEXWTWQISA-N 2 2 388.556 3.101 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000118805866 1413225136 /nfs/dbraw/zinc/22/51/36/1413225136.db2.gz LLQIJLMIDUORQG-CEXWTWQISA-N 2 2 388.556 3.101 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000118805866 1413225146 /nfs/dbraw/zinc/22/51/46/1413225146.db2.gz LLQIJLMIDUORQG-CEXWTWQISA-N 2 2 388.556 3.101 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000118990670 1413294367 /nfs/dbraw/zinc/29/43/67/1413294367.db2.gz DCFGYSGKCYJTLT-RLLQIKCJSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000118990670 1413294374 /nfs/dbraw/zinc/29/43/74/1413294374.db2.gz DCFGYSGKCYJTLT-RLLQIKCJSA-N 2 2 388.556 3.281 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000119010905 1413303226 /nfs/dbraw/zinc/30/32/26/1413303226.db2.gz ODIDHVHTTZIYHW-DLBZAZTESA-N 2 2 377.529 3.131 20 0 GGADLP CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119061000 1413321522 /nfs/dbraw/zinc/32/15/22/1413321522.db2.gz SQVFLMUDYTYFCC-RBUKOAKNSA-N 2 2 375.561 3.086 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000119121887 1413345246 /nfs/dbraw/zinc/34/52/46/1413345246.db2.gz IFNCCAABUQHVQV-UHFFFAOYSA-N 2 2 383.540 3.491 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000119170698 1413363660 /nfs/dbraw/zinc/36/36/60/1413363660.db2.gz DEQZAZXYQGJODV-VQTJNVASSA-N 2 2 398.526 3.253 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000119170698 1413363666 /nfs/dbraw/zinc/36/36/66/1413363666.db2.gz DEQZAZXYQGJODV-VQTJNVASSA-N 2 2 398.526 3.253 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000119171042 1413364576 /nfs/dbraw/zinc/36/45/76/1413364576.db2.gz DEQZAZXYQGJODV-UXHICEINSA-N 2 2 398.526 3.253 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000119171042 1413364579 /nfs/dbraw/zinc/36/45/79/1413364579.db2.gz DEQZAZXYQGJODV-UXHICEINSA-N 2 2 398.526 3.253 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000119250869 1413389750 /nfs/dbraw/zinc/38/97/50/1413389750.db2.gz GOQIBKAASIRVDF-XLIONFOSSA-N 2 2 398.576 3.351 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000119250869 1413389753 /nfs/dbraw/zinc/38/97/53/1413389753.db2.gz GOQIBKAASIRVDF-XLIONFOSSA-N 2 2 398.576 3.351 20 0 GGADLP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000177409306 1428723267 /nfs/dbraw/zinc/72/32/67/1428723267.db2.gz CVEMQGIFBSYEOI-NRFANRHFSA-N 2 2 387.593 3.300 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119290809 1413401459 /nfs/dbraw/zinc/40/14/59/1413401459.db2.gz RYMKDBWHIAMVFT-XXBNENTESA-N 2 2 375.520 3.327 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119290809 1413401461 /nfs/dbraw/zinc/40/14/61/1413401461.db2.gz RYMKDBWHIAMVFT-XXBNENTESA-N 2 2 375.520 3.327 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000119330558 1413414511 /nfs/dbraw/zinc/41/45/11/1413414511.db2.gz WOCQHXQNUNYAAY-MRXNPFEDSA-N 2 2 380.492 3.323 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000119359133 1413423134 /nfs/dbraw/zinc/42/31/34/1413423134.db2.gz WKPDXRLMOJZTHG-NHCUHLMSSA-N 2 2 380.536 3.113 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000119359133 1413423136 /nfs/dbraw/zinc/42/31/36/1413423136.db2.gz WKPDXRLMOJZTHG-NHCUHLMSSA-N 2 2 380.536 3.113 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000119430453 1413444735 /nfs/dbraw/zinc/44/47/35/1413444735.db2.gz ONOLIWNHDMIEKY-NQIIRXRSSA-N 2 2 389.503 3.192 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000119430453 1413444740 /nfs/dbraw/zinc/44/47/40/1413444740.db2.gz ONOLIWNHDMIEKY-NQIIRXRSSA-N 2 2 389.503 3.192 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177428558 1428733296 /nfs/dbraw/zinc/73/32/96/1428733296.db2.gz RSECUMNASQPYSF-UHFFFAOYSA-N 2 2 381.524 3.469 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000119849401 1413592358 /nfs/dbraw/zinc/59/23/58/1413592358.db2.gz YTPBSPCHFIUKPH-GOSISDBHSA-N 2 2 387.572 3.181 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000119849290 1413592488 /nfs/dbraw/zinc/59/24/88/1413592488.db2.gz YTPBSPCHFIUKPH-SFHVURJKSA-N 2 2 387.572 3.181 20 0 GGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000119888692 1413605994 /nfs/dbraw/zinc/60/59/94/1413605994.db2.gz VRLOBECSJFASGE-FCHUYYIVSA-N 2 2 398.547 3.034 20 0 GGADLP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000119888692 1413606002 /nfs/dbraw/zinc/60/60/02/1413606002.db2.gz VRLOBECSJFASGE-FCHUYYIVSA-N 2 2 398.547 3.034 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000119893462 1413607926 /nfs/dbraw/zinc/60/79/26/1413607926.db2.gz FHRYJTLFUZUECA-LEWJYISDSA-N 2 2 380.536 3.256 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000119893462 1413607932 /nfs/dbraw/zinc/60/79/32/1413607932.db2.gz FHRYJTLFUZUECA-LEWJYISDSA-N 2 2 380.536 3.256 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000119893606 1413608114 /nfs/dbraw/zinc/60/81/14/1413608114.db2.gz FHRYJTLFUZUECA-NHCUHLMSSA-N 2 2 380.536 3.256 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000119893606 1413608120 /nfs/dbraw/zinc/60/81/20/1413608120.db2.gz FHRYJTLFUZUECA-NHCUHLMSSA-N 2 2 380.536 3.256 20 0 GGADLP CC(C)Oc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(F)c1 ZINC000120025670 1413658280 /nfs/dbraw/zinc/65/82/80/1413658280.db2.gz ZGPCCSYHUUFJLT-UHFFFAOYSA-N 2 2 392.519 3.293 20 0 GGADLP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCC[C@@H]1C ZINC000120027700 1413659702 /nfs/dbraw/zinc/65/97/02/1413659702.db2.gz ZIBIKFLIEUXTFI-SIKLNZKXSA-N 2 2 387.568 3.036 20 0 GGADLP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCC[C@@H]1C ZINC000120027700 1413659703 /nfs/dbraw/zinc/65/97/03/1413659703.db2.gz ZIBIKFLIEUXTFI-SIKLNZKXSA-N 2 2 387.568 3.036 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000120065157 1413673510 /nfs/dbraw/zinc/67/35/10/1413673510.db2.gz OQAICQDNDCCHEA-UHFFFAOYSA-N 2 2 383.540 3.491 20 0 GGADLP CSCCc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000120078392 1413678973 /nfs/dbraw/zinc/67/89/73/1413678973.db2.gz RAVLKOZZJBAHQL-UHFFFAOYSA-N 2 2 390.597 3.272 20 0 GGADLP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1)C1CC1 ZINC000120117603 1413694474 /nfs/dbraw/zinc/69/44/74/1413694474.db2.gz JHTNYQVKYBWZDJ-LJQANCHMSA-N 2 2 380.536 3.499 20 0 GGADLP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1)C1CC1 ZINC000120117603 1413694477 /nfs/dbraw/zinc/69/44/77/1413694477.db2.gz JHTNYQVKYBWZDJ-LJQANCHMSA-N 2 2 380.536 3.499 20 0 GGADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000120173926 1413717996 /nfs/dbraw/zinc/71/79/96/1413717996.db2.gz ULUWYTOWLIAZCG-OAHLLOKOSA-N 2 2 379.495 3.133 20 0 GGADLP Cc1csc(-c2cccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)n1 ZINC000120280302 1413765765 /nfs/dbraw/zinc/76/57/65/1413765765.db2.gz JOGVVESFEYFUKH-UHFFFAOYSA-N 2 2 398.576 3.407 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3c[nH]c4ccc(Cl)cc34)CC2)CC1 ZINC000120280122 1413766256 /nfs/dbraw/zinc/76/62/56/1413766256.db2.gz YPCLFRNBTXTKFK-UHFFFAOYSA-N 2 2 388.943 3.039 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccccc2OC(F)F)CC1 ZINC000177485121 1428762785 /nfs/dbraw/zinc/76/27/85/1428762785.db2.gz JMJDIADPPCLXIB-HNNXBMFYSA-N 2 2 399.482 3.094 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000177486551 1428763379 /nfs/dbraw/zinc/76/33/79/1428763379.db2.gz JEJIGCPEGTYUTI-KRWDZBQOSA-N 2 2 384.524 3.041 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120757810 1413894622 /nfs/dbraw/zinc/89/46/22/1413894622.db2.gz HUDSTWDDPYYGRW-IERDGZPVSA-N 2 2 385.483 3.130 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120757810 1413894626 /nfs/dbraw/zinc/89/46/26/1413894626.db2.gz HUDSTWDDPYYGRW-IERDGZPVSA-N 2 2 385.483 3.130 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000120790147 1413903938 /nfs/dbraw/zinc/90/39/38/1413903938.db2.gz MOZXIGJUEOWRGP-CZAAIQMYSA-N 2 2 388.506 3.463 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000120790147 1413903946 /nfs/dbraw/zinc/90/39/46/1413903946.db2.gz MOZXIGJUEOWRGP-CZAAIQMYSA-N 2 2 388.506 3.463 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000177488978 1428765036 /nfs/dbraw/zinc/76/50/36/1428765036.db2.gz BOYVEYJJMQYRKA-UHFFFAOYSA-N 2 2 384.520 3.261 20 0 GGADLP CC(C)CCc1noc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177490950 1428766341 /nfs/dbraw/zinc/76/63/41/1428766341.db2.gz SAOBNTDEIIPEHX-ROUUACIJSA-N 2 2 378.561 3.370 20 0 GGADLP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177492131 1428766656 /nfs/dbraw/zinc/76/66/56/1428766656.db2.gz XHBLYBSSQAUPOX-RBUKOAKNSA-N 2 2 375.557 3.040 20 0 GGADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(Cc4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000177491077 1428766788 /nfs/dbraw/zinc/76/67/88/1428766788.db2.gz NLZVBAOAOWCGRH-OALUTQOASA-N 2 2 398.551 3.372 20 0 GGADLP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177492163 1428766840 /nfs/dbraw/zinc/76/68/40/1428766840.db2.gz XHBLYBSSQAUPOX-OALUTQOASA-N 2 2 375.557 3.040 20 0 GGADLP Cc1n[nH]cc1C[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120947730 1413956833 /nfs/dbraw/zinc/95/68/33/1413956833.db2.gz HMTXAKRHOJDTFS-UHFFFAOYSA-N 2 2 381.446 3.039 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000177497471 1428769882 /nfs/dbraw/zinc/76/98/82/1428769882.db2.gz YRMYNXJXIVKQEX-IYBDPMFKSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CC[NH+](CC(=O)Nc3cc(F)cc(F)c3)CC2)C[C@H](C)O1 ZINC000177497471 1428769884 /nfs/dbraw/zinc/76/98/84/1428769884.db2.gz YRMYNXJXIVKQEX-IYBDPMFKSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177512393 1428777541 /nfs/dbraw/zinc/77/75/41/1428777541.db2.gz ZACMMUOXUNLVPT-KURKYZTESA-N 2 2 398.551 3.195 20 0 GGADLP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177512377 1428777551 /nfs/dbraw/zinc/77/75/51/1428777551.db2.gz ZACMMUOXUNLVPT-BZSNNMDCSA-N 2 2 398.551 3.195 20 0 GGADLP O=C(CC[N@@H+]1CCCCC[C@H]1c1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000121255975 1414061271 /nfs/dbraw/zinc/06/12/71/1414061271.db2.gz MDHUGBAZJOAPQS-IBGZPJMESA-N 2 2 382.508 3.331 20 0 GGADLP O=C(CC[N@H+]1CCCCC[C@H]1c1ccco1)N1CCN(c2cccc[nH+]2)CC1 ZINC000121255975 1414061279 /nfs/dbraw/zinc/06/12/79/1414061279.db2.gz MDHUGBAZJOAPQS-IBGZPJMESA-N 2 2 382.508 3.331 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3cc(F)ccc3Br)ccn2)CC1 ZINC000121390494 1414104877 /nfs/dbraw/zinc/10/48/77/1414104877.db2.gz INMDJVUYSASVGF-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000121535901 1414167264 /nfs/dbraw/zinc/16/72/64/1414167264.db2.gz SCDPQLXZBJTUHD-RDTXWAMCSA-N 2 2 390.890 3.273 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000121535901 1414167270 /nfs/dbraw/zinc/16/72/70/1414167270.db2.gz SCDPQLXZBJTUHD-RDTXWAMCSA-N 2 2 390.890 3.273 20 0 GGADLP O=C(Nc1cccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1)[C@H]1CCCO1 ZINC000121680300 1414221787 /nfs/dbraw/zinc/22/17/87/1414221787.db2.gz TWYLVENJJSQHNR-OAQYLSRUSA-N 2 2 376.460 3.280 20 0 GGADLP O[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)COc1cccc(C(F)(F)F)c1 ZINC000121744532 1414243419 /nfs/dbraw/zinc/24/34/19/1414243419.db2.gz FBYCBYQPOWWKGB-SFHVURJKSA-N 2 2 391.393 3.421 20 0 GGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NCc1ccn2cc[nH+]c2c1 ZINC000177585393 1428803565 /nfs/dbraw/zinc/80/35/65/1428803565.db2.gz CZTXHUCBKUJDQH-UHFFFAOYSA-N 2 2 377.492 3.320 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccnc3-c3ccccc3)CC2)CC1 ZINC000122291527 1414414602 /nfs/dbraw/zinc/41/46/02/1414414602.db2.gz ZAWPEENJQZMHRB-UHFFFAOYSA-N 2 2 393.535 3.429 20 0 GGADLP C[NH+](C)Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000122323348 1414423876 /nfs/dbraw/zinc/42/38/76/1414423876.db2.gz OVMBFFIFTUJLDW-UHFFFAOYSA-N 2 2 381.524 3.133 20 0 GGADLP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000122332022 1414425708 /nfs/dbraw/zinc/42/57/08/1414425708.db2.gz HNGFABTXBFXYOW-KRWDZBQOSA-N 2 2 378.476 3.309 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122392912 1414444914 /nfs/dbraw/zinc/44/49/14/1414444914.db2.gz XEZFJNLHQLMZRY-KNQAVFIVSA-N 3 2 382.552 3.022 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122392912 1414444919 /nfs/dbraw/zinc/44/49/19/1414444919.db2.gz XEZFJNLHQLMZRY-KNQAVFIVSA-N 3 2 382.552 3.022 20 0 GGADLP O=C1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000122684173 1414537947 /nfs/dbraw/zinc/53/79/47/1414537947.db2.gz CBHIDCYRPKWPRE-IBGZPJMESA-N 2 2 393.478 3.247 20 0 GGADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000122908459 1414594532 /nfs/dbraw/zinc/59/45/32/1414594532.db2.gz PWARQYPUICICRL-HOJAQTOUSA-N 2 2 390.572 3.431 20 0 GGADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000122908459 1414594538 /nfs/dbraw/zinc/59/45/38/1414594538.db2.gz PWARQYPUICICRL-HOJAQTOUSA-N 2 2 390.572 3.431 20 0 GGADLP Cc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)n1Cc1ccccc1 ZINC000122971069 1414609493 /nfs/dbraw/zinc/60/94/93/1414609493.db2.gz GYCOVGCSNRNKDX-UHFFFAOYSA-N 2 2 396.579 3.251 20 0 GGADLP Cc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1Cc1ccccc1 ZINC000122971069 1414609496 /nfs/dbraw/zinc/60/94/96/1414609496.db2.gz GYCOVGCSNRNKDX-UHFFFAOYSA-N 2 2 396.579 3.251 20 0 GGADLP Cc1cc(NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2cc(F)ccc2[nH+]1 ZINC000123585112 1414783937 /nfs/dbraw/zinc/78/39/37/1414783937.db2.gz BOSLDIQXUGKRLR-UHFFFAOYSA-N 2 2 393.466 3.228 20 0 GGADLP CCc1cc2c(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cc(=O)oc2cc1O ZINC000123656452 1414804661 /nfs/dbraw/zinc/80/46/61/1414804661.db2.gz DNQUOHRTVSQXLJ-OAHLLOKOSA-N 2 2 381.476 3.249 20 0 GGADLP CCc1cc2c(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)cc(=O)oc2cc1O ZINC000123656452 1414804663 /nfs/dbraw/zinc/80/46/63/1414804663.db2.gz DNQUOHRTVSQXLJ-OAHLLOKOSA-N 2 2 381.476 3.249 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123674044 1414807756 /nfs/dbraw/zinc/80/77/56/1414807756.db2.gz QUAQKJDLUYZSPO-LSDHHAIUSA-N 2 2 390.915 3.364 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123674044 1414807759 /nfs/dbraw/zinc/80/77/59/1414807759.db2.gz QUAQKJDLUYZSPO-LSDHHAIUSA-N 2 2 390.915 3.364 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123833721 1414831624 /nfs/dbraw/zinc/83/16/24/1414831624.db2.gz UYEOHJVQFXBKOB-LSDHHAIUSA-N 2 2 392.450 3.303 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123833721 1414831628 /nfs/dbraw/zinc/83/16/28/1414831628.db2.gz UYEOHJVQFXBKOB-LSDHHAIUSA-N 2 2 392.450 3.303 20 0 GGADLP CC[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000123856227 1414836365 /nfs/dbraw/zinc/83/63/65/1414836365.db2.gz LROXEHLNQKWCLI-LEWJYISDSA-N 2 2 398.551 3.192 20 0 GGADLP CC[C@H](NC(=O)CCn1cc[nH+]c1C(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000123856227 1414836367 /nfs/dbraw/zinc/83/63/67/1414836367.db2.gz LROXEHLNQKWCLI-LEWJYISDSA-N 2 2 398.551 3.192 20 0 GGADLP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124246879 1414918945 /nfs/dbraw/zinc/91/89/45/1414918945.db2.gz PGPNXUXZJZVSRG-KBPBESRZSA-N 2 2 385.537 3.389 20 0 GGADLP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124246879 1414918951 /nfs/dbraw/zinc/91/89/51/1414918951.db2.gz PGPNXUXZJZVSRG-KBPBESRZSA-N 2 2 385.537 3.389 20 0 GGADLP Cc1ccc([C@H](NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000124264362 1414924397 /nfs/dbraw/zinc/92/43/97/1414924397.db2.gz MXAPKLXMWDSILU-NRFANRHFSA-N 2 2 382.533 3.481 20 0 GGADLP Cc1ccc([C@H](NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000124264362 1414924401 /nfs/dbraw/zinc/92/44/01/1414924401.db2.gz MXAPKLXMWDSILU-NRFANRHFSA-N 2 2 382.533 3.481 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000124318334 1414937792 /nfs/dbraw/zinc/93/77/92/1414937792.db2.gz RXIONAVPSKLPGY-UHFFFAOYSA-N 2 2 391.475 3.096 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 ZINC000124318334 1414937797 /nfs/dbraw/zinc/93/77/97/1414937797.db2.gz RXIONAVPSKLPGY-UHFFFAOYSA-N 2 2 391.475 3.096 20 0 GGADLP Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000124324864 1414940213 /nfs/dbraw/zinc/94/02/13/1414940213.db2.gz KYHSWONXPRSYIE-UHFFFAOYSA-N 2 2 395.532 3.226 20 0 GGADLP Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cs1 ZINC000124324864 1414940216 /nfs/dbraw/zinc/94/02/16/1414940216.db2.gz KYHSWONXPRSYIE-UHFFFAOYSA-N 2 2 395.532 3.226 20 0 GGADLP Cc1nc(-c2ccccc2)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000124396812 1414957050 /nfs/dbraw/zinc/95/70/50/1414957050.db2.gz KUVQXRLELFRBLQ-UHFFFAOYSA-N 2 2 392.547 3.345 20 0 GGADLP Cc1ccc(C)c(SCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000124414205 1414962439 /nfs/dbraw/zinc/96/24/39/1414962439.db2.gz YIAKACBZXDDYCD-UHFFFAOYSA-N 2 2 375.582 3.070 20 0 GGADLP CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124524678 1414986853 /nfs/dbraw/zinc/98/68/53/1414986853.db2.gz PYOSGBNMIZUXOO-FCHUYYIVSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124524678 1414986858 /nfs/dbraw/zinc/98/68/58/1414986858.db2.gz PYOSGBNMIZUXOO-FCHUYYIVSA-N 2 2 387.568 3.495 20 0 GGADLP Cc1cccc(N2CC[NH+](CCC[NH2+]C3CCN(CC(F)(F)F)CC3)CC2)c1 ZINC000124536970 1414989361 /nfs/dbraw/zinc/98/93/61/1414989361.db2.gz JEFSSIACKWNTLB-UHFFFAOYSA-N 2 2 398.517 3.123 20 0 GGADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000124559252 1414994389 /nfs/dbraw/zinc/99/43/89/1414994389.db2.gz HQQJKXKVLNOLLI-LEWJYISDSA-N 2 2 387.568 3.413 20 0 GGADLP COc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1C ZINC000124559252 1414994392 /nfs/dbraw/zinc/99/43/92/1414994392.db2.gz HQQJKXKVLNOLLI-LEWJYISDSA-N 2 2 387.568 3.413 20 0 GGADLP O=C(C[NH+]1CCC(c2ccccc2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000124565785 1414995460 /nfs/dbraw/zinc/99/54/60/1414995460.db2.gz DXOUOSLCRQXWPU-UHFFFAOYSA-N 2 2 393.531 3.337 20 0 GGADLP Cc1cccc2nc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cn21 ZINC000124569151 1414996050 /nfs/dbraw/zinc/99/60/50/1414996050.db2.gz HHNWSIUAXKULQY-RTWAWAEBSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1cccc2nc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cn21 ZINC000124569151 1414996057 /nfs/dbraw/zinc/99/60/57/1414996057.db2.gz HHNWSIUAXKULQY-RTWAWAEBSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1nc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124585027 1414999943 /nfs/dbraw/zinc/99/99/43/1414999943.db2.gz UMRHYBSOWBMIBQ-OALUTQOASA-N 2 2 392.975 3.453 20 0 GGADLP Cc1nc(Cl)ccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124585027 1414999948 /nfs/dbraw/zinc/99/99/48/1414999948.db2.gz UMRHYBSOWBMIBQ-OALUTQOASA-N 2 2 392.975 3.453 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000124586285 1415000003 /nfs/dbraw/zinc/00/00/03/1415000003.db2.gz YHFSEMIEJCTEAF-GOSISDBHSA-N 2 2 399.539 3.237 20 0 GGADLP Cc1noc(C)c1CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124596796 1415002028 /nfs/dbraw/zinc/00/20/28/1415002028.db2.gz DWNYXYXCRGIBSX-RTWAWAEBSA-N 2 2 390.572 3.020 20 0 GGADLP Cc1noc(C)c1CCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124596796 1415002036 /nfs/dbraw/zinc/00/20/36/1415002036.db2.gz DWNYXYXCRGIBSX-RTWAWAEBSA-N 2 2 390.572 3.020 20 0 GGADLP CCc1nc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124643767 1415012111 /nfs/dbraw/zinc/01/21/11/1415012111.db2.gz DQFSCMCPEFUGLL-RTBURBONSA-N 2 2 392.613 3.044 20 0 GGADLP CCc1nc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000124643767 1415012115 /nfs/dbraw/zinc/01/21/15/1415012115.db2.gz DQFSCMCPEFUGLL-RTBURBONSA-N 2 2 392.613 3.044 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124653209 1415014027 /nfs/dbraw/zinc/01/40/27/1415014027.db2.gz UGEXJQUHNIIAHE-PMACEKPBSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124653209 1415014032 /nfs/dbraw/zinc/01/40/32/1415014032.db2.gz UGEXJQUHNIIAHE-PMACEKPBSA-N 2 2 391.531 3.244 20 0 GGADLP CN(C(=O)c1cc(Cl)cn1C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124658132 1415015456 /nfs/dbraw/zinc/01/54/56/1415015456.db2.gz BEMFJPQJQMKMDT-ZWKOTPCHSA-N 2 2 380.964 3.088 20 0 GGADLP CN(C(=O)c1cc(Cl)cn1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124658132 1415015462 /nfs/dbraw/zinc/01/54/62/1415015462.db2.gz BEMFJPQJQMKMDT-ZWKOTPCHSA-N 2 2 380.964 3.088 20 0 GGADLP CN(C(=O)COc1ccccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124662134 1415016736 /nfs/dbraw/zinc/01/67/36/1415016736.db2.gz IGEGZSOAERQLHI-PMACEKPBSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)COc1ccccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124662134 1415016741 /nfs/dbraw/zinc/01/67/41/1415016741.db2.gz IGEGZSOAERQLHI-PMACEKPBSA-N 2 2 391.531 3.000 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000124672532 1415018323 /nfs/dbraw/zinc/01/83/23/1415018323.db2.gz XSPUAFRNMDPWKV-UHFFFAOYSA-N 2 2 387.837 3.471 20 0 GGADLP CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000177777200 1428856043 /nfs/dbraw/zinc/85/60/43/1428856043.db2.gz SFPFMPWVFLUHFY-FQEVSTJZSA-N 2 2 377.492 3.140 20 0 GGADLP CN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177777200 1428856045 /nfs/dbraw/zinc/85/60/45/1428856045.db2.gz SFPFMPWVFLUHFY-FQEVSTJZSA-N 2 2 377.492 3.140 20 0 GGADLP Cc1ccccc1OCC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124694593 1415023725 /nfs/dbraw/zinc/02/37/25/1415023725.db2.gz WUYKNDDRLPKWEA-RTWAWAEBSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccccc1OCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124694593 1415023727 /nfs/dbraw/zinc/02/37/27/1415023727.db2.gz WUYKNDDRLPKWEA-RTWAWAEBSA-N 2 2 387.568 3.169 20 0 GGADLP CN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124702692 1415025312 /nfs/dbraw/zinc/02/53/12/1415025312.db2.gz UEHMJAREHIDFBW-PMACEKPBSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124702692 1415025317 /nfs/dbraw/zinc/02/53/17/1415025317.db2.gz UEHMJAREHIDFBW-PMACEKPBSA-N 2 2 379.495 3.374 20 0 GGADLP C[C@@H]1CCC[C@H](OCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1 ZINC000124719286 1415028743 /nfs/dbraw/zinc/02/87/43/1415028743.db2.gz BETFLCVAWJMAPO-RYFAJOAYSA-N 2 2 393.616 3.377 20 0 GGADLP C[C@@H]1CCC[C@H](OCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1 ZINC000124719286 1415028748 /nfs/dbraw/zinc/02/87/48/1415028748.db2.gz BETFLCVAWJMAPO-RYFAJOAYSA-N 2 2 393.616 3.377 20 0 GGADLP CN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124742263 1415033883 /nfs/dbraw/zinc/03/38/83/1415033883.db2.gz UCSXTHWAZAMLCV-RTWAWAEBSA-N 2 2 385.552 3.031 20 0 GGADLP CN(C(=O)c1ccc2c(c1)CCO2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124742263 1415033890 /nfs/dbraw/zinc/03/38/90/1415033890.db2.gz UCSXTHWAZAMLCV-RTWAWAEBSA-N 2 2 385.552 3.031 20 0 GGADLP COCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124749872 1415035646 /nfs/dbraw/zinc/03/56/46/1415035646.db2.gz ODODALIKXFMDIQ-YADHBBJMSA-N 2 2 387.568 3.242 20 0 GGADLP COCc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124749872 1415035648 /nfs/dbraw/zinc/03/56/48/1415035648.db2.gz ODODALIKXFMDIQ-YADHBBJMSA-N 2 2 387.568 3.242 20 0 GGADLP CC(C)CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124776675 1415042157 /nfs/dbraw/zinc/04/21/57/1415042157.db2.gz BFQXYPCZADHTOT-HLAWJBBLSA-N 2 2 381.605 3.233 20 0 GGADLP CC(C)CCO[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124776675 1415042162 /nfs/dbraw/zinc/04/21/62/1415042162.db2.gz BFQXYPCZADHTOT-HLAWJBBLSA-N 2 2 381.605 3.233 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000124783550 1415043139 /nfs/dbraw/zinc/04/31/39/1415043139.db2.gz KLKHRUFYVIMKKL-NRFANRHFSA-N 2 2 383.540 3.099 20 0 GGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000124783550 1415043145 /nfs/dbraw/zinc/04/31/45/1415043145.db2.gz KLKHRUFYVIMKKL-NRFANRHFSA-N 2 2 383.540 3.099 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000124783280 1415043194 /nfs/dbraw/zinc/04/31/94/1415043194.db2.gz KLKHRUFYVIMKKL-OAQYLSRUSA-N 2 2 383.540 3.099 20 0 GGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000124783280 1415043201 /nfs/dbraw/zinc/04/32/01/1415043201.db2.gz KLKHRUFYVIMKKL-OAQYLSRUSA-N 2 2 383.540 3.099 20 0 GGADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124791413 1415044944 /nfs/dbraw/zinc/04/49/44/1415044944.db2.gz UHSUHBYXPRHPCU-PMACEKPBSA-N 2 2 391.531 3.244 20 0 GGADLP COc1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccc1F ZINC000124791413 1415044949 /nfs/dbraw/zinc/04/49/49/1415044949.db2.gz UHSUHBYXPRHPCU-PMACEKPBSA-N 2 2 391.531 3.244 20 0 GGADLP CN(C(=O)c1ccncc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124810595 1415049724 /nfs/dbraw/zinc/04/97/24/1415049724.db2.gz QWBYTYYKQNALRG-OALUTQOASA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccncc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124810595 1415049730 /nfs/dbraw/zinc/04/97/30/1415049730.db2.gz QWBYTYYKQNALRG-OALUTQOASA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)COC1CCCCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124823243 1415052933 /nfs/dbraw/zinc/05/29/33/1415052933.db2.gz DLARWLCDQUQVDJ-RTWAWAEBSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)COC1CCCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124823243 1415052937 /nfs/dbraw/zinc/05/29/37/1415052937.db2.gz DLARWLCDQUQVDJ-RTWAWAEBSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)CSC(F)(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124826799 1415053320 /nfs/dbraw/zinc/05/33/20/1415053320.db2.gz CVJCRZVZFIKDCK-GJZGRUSLSA-N 2 2 381.508 3.035 20 0 GGADLP CN(C(=O)CSC(F)(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124826799 1415053328 /nfs/dbraw/zinc/05/33/28/1415053328.db2.gz CVJCRZVZFIKDCK-GJZGRUSLSA-N 2 2 381.508 3.035 20 0 GGADLP CN(C(=O)CSC(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124826601 1415053532 /nfs/dbraw/zinc/05/35/32/1415053532.db2.gz CVJCRZVZFIKDCK-CABCVRRESA-N 2 2 381.508 3.035 20 0 GGADLP CN(C(=O)CSC(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124826601 1415053535 /nfs/dbraw/zinc/05/35/35/1415053535.db2.gz CVJCRZVZFIKDCK-CABCVRRESA-N 2 2 381.508 3.035 20 0 GGADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000124877182 1415065256 /nfs/dbraw/zinc/06/52/56/1415065256.db2.gz BPAOAQGUOKJSIT-MOPGFXCFSA-N 2 2 390.597 3.213 20 0 GGADLP CSc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000124877182 1415065258 /nfs/dbraw/zinc/06/52/58/1415065258.db2.gz BPAOAQGUOKJSIT-MOPGFXCFSA-N 2 2 390.597 3.213 20 0 GGADLP CN(C(=O)Cc1ccc(F)c(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124883077 1415066115 /nfs/dbraw/zinc/06/61/15/1415066115.db2.gz ANRKVDHDAXAKHF-RTWAWAEBSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1ccc(F)c(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124883077 1415066118 /nfs/dbraw/zinc/06/61/18/1415066118.db2.gz ANRKVDHDAXAKHF-RTWAWAEBSA-N 2 2 393.522 3.303 20 0 GGADLP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000124890602 1415067632 /nfs/dbraw/zinc/06/76/32/1415067632.db2.gz JDKXATYMYNCNHU-AYWYSENESA-N 2 2 379.589 3.130 20 0 GGADLP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000124890602 1415067635 /nfs/dbraw/zinc/06/76/35/1415067635.db2.gz JDKXATYMYNCNHU-AYWYSENESA-N 2 2 379.589 3.130 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177783181 1428857428 /nfs/dbraw/zinc/85/74/28/1428857428.db2.gz CKICFNVJZRQZIB-SFHVURJKSA-N 2 2 377.492 3.140 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177783181 1428857429 /nfs/dbraw/zinc/85/74/29/1428857429.db2.gz CKICFNVJZRQZIB-SFHVURJKSA-N 2 2 377.492 3.140 20 0 GGADLP CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000124928364 1415075011 /nfs/dbraw/zinc/07/50/11/1415075011.db2.gz QUJVZCOTILSMPU-QGZVFWFLSA-N 2 2 378.476 3.238 20 0 GGADLP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)o1 ZINC000125062490 1415102133 /nfs/dbraw/zinc/10/21/33/1415102133.db2.gz ASKNCTMNCSVGGM-QGZVFWFLSA-N 2 2 385.508 3.354 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125338647 1415168800 /nfs/dbraw/zinc/16/88/00/1415168800.db2.gz QANOGZWZQBKFKB-WIYYLYMNSA-N 2 2 379.508 3.031 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000125338647 1415168803 /nfs/dbraw/zinc/16/88/03/1415168803.db2.gz QANOGZWZQBKFKB-WIYYLYMNSA-N 2 2 379.508 3.031 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)[nH+]c12 ZINC000125376453 1415180422 /nfs/dbraw/zinc/18/04/22/1415180422.db2.gz LASFELXXLDQZGT-GHTZIAJQSA-N 2 2 391.519 3.005 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)[nH+]c12 ZINC000125376453 1415180426 /nfs/dbraw/zinc/18/04/26/1415180426.db2.gz LASFELXXLDQZGT-GHTZIAJQSA-N 2 2 391.519 3.005 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)[nH+]c12 ZINC000125376668 1415180456 /nfs/dbraw/zinc/18/04/56/1415180456.db2.gz LASFELXXLDQZGT-RXVVDRJESA-N 2 2 391.519 3.005 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)[nH+]c12 ZINC000125376668 1415180461 /nfs/dbraw/zinc/18/04/61/1415180461.db2.gz LASFELXXLDQZGT-RXVVDRJESA-N 2 2 391.519 3.005 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125401807 1415188245 /nfs/dbraw/zinc/18/82/45/1415188245.db2.gz ZYXRQFQVRFOBBB-YLJYHZDGSA-N 2 2 397.498 3.170 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000125401807 1415188252 /nfs/dbraw/zinc/18/82/52/1415188252.db2.gz ZYXRQFQVRFOBBB-YLJYHZDGSA-N 2 2 397.498 3.170 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125402510 1415188864 /nfs/dbraw/zinc/18/88/64/1415188864.db2.gz ZYXRQFQVRFOBBB-PXNSSMCTSA-N 2 2 397.498 3.170 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000125402510 1415188880 /nfs/dbraw/zinc/18/88/80/1415188880.db2.gz ZYXRQFQVRFOBBB-PXNSSMCTSA-N 2 2 397.498 3.170 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125498222 1415214466 /nfs/dbraw/zinc/21/44/66/1415214466.db2.gz XEVCYNKJLMCWJR-WIYYLYMNSA-N 2 2 379.508 3.031 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000125498222 1415214471 /nfs/dbraw/zinc/21/44/71/1415214471.db2.gz XEVCYNKJLMCWJR-WIYYLYMNSA-N 2 2 379.508 3.031 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)CC(C)C ZINC000125581630 1415231484 /nfs/dbraw/zinc/23/14/84/1415231484.db2.gz BKQGUFXXADQFHZ-IHPCNDPISA-N 2 2 376.545 3.042 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)CC(C)C ZINC000125581630 1415231489 /nfs/dbraw/zinc/23/14/89/1415231489.db2.gz BKQGUFXXADQFHZ-IHPCNDPISA-N 2 2 376.545 3.042 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C[C@H](C)O1 ZINC000125586812 1415232615 /nfs/dbraw/zinc/23/26/15/1415232615.db2.gz NACVDOFLZBEKOB-PSHVLCQKSA-N 2 2 396.535 3.216 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C[C@H](C)O1 ZINC000125586812 1415232620 /nfs/dbraw/zinc/23/26/20/1415232620.db2.gz NACVDOFLZBEKOB-PSHVLCQKSA-N 2 2 396.535 3.216 20 0 GGADLP Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000125670594 1415250770 /nfs/dbraw/zinc/25/07/70/1415250770.db2.gz FXKLMANBXCGQDD-PMACEKPBSA-N 2 2 398.595 3.441 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000125838183 1415294232 /nfs/dbraw/zinc/29/42/32/1415294232.db2.gz SXKGOUGXAIMIIJ-NRFANRHFSA-N 2 2 377.492 3.034 20 0 GGADLP C[C@H]1C[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177967278 1428906527 /nfs/dbraw/zinc/90/65/27/1428906527.db2.gz NBRCWFOCZDAQLJ-FXAWDEMLSA-N 2 2 377.492 3.187 20 0 GGADLP C[C@H]1C[C@H](NC(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177967278 1428906532 /nfs/dbraw/zinc/90/65/32/1428906532.db2.gz NBRCWFOCZDAQLJ-FXAWDEMLSA-N 2 2 377.492 3.187 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)Cc1ccccc1 ZINC000177943896 1428897247 /nfs/dbraw/zinc/89/72/47/1428897247.db2.gz XKZGTFADDYSVOH-FQEVSTJZSA-N 2 2 379.508 3.087 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(Br)cc3F)ccn2)CC1 ZINC000126068833 1415349974 /nfs/dbraw/zinc/34/99/74/1415349974.db2.gz WGCBFVPWMQJRTC-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000126162888 1415373884 /nfs/dbraw/zinc/37/38/84/1415373884.db2.gz STLQXGJITFGFMO-YLJYHZDGSA-N 2 2 384.549 3.155 20 0 GGADLP Cc1ccc(-c2ncc(C[NH2+]Cc3cccnc3N3CC[NH+](C)CC3)s2)o1 ZINC000126211644 1415385565 /nfs/dbraw/zinc/38/55/65/1415385565.db2.gz PBNJFDDJLUXWGM-UHFFFAOYSA-N 2 2 383.521 3.148 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000177968684 1428907170 /nfs/dbraw/zinc/90/71/70/1428907170.db2.gz MFPNYYWRGMONLH-SFHVURJKSA-N 2 2 390.572 3.175 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000177968684 1428907178 /nfs/dbraw/zinc/90/71/78/1428907178.db2.gz MFPNYYWRGMONLH-SFHVURJKSA-N 2 2 390.572 3.175 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177967299 1428907464 /nfs/dbraw/zinc/90/74/64/1428907464.db2.gz NBRCWFOCZDAQLJ-PXNSSMCTSA-N 2 2 377.492 3.187 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177967299 1428907478 /nfs/dbraw/zinc/90/74/78/1428907478.db2.gz NBRCWFOCZDAQLJ-PXNSSMCTSA-N 2 2 377.492 3.187 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000126352819 1415424647 /nfs/dbraw/zinc/42/46/47/1415424647.db2.gz LVJRJXODWSKRMG-ZWKOTPCHSA-N 2 2 378.586 3.114 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000126352819 1415424652 /nfs/dbraw/zinc/42/46/52/1415424652.db2.gz LVJRJXODWSKRMG-ZWKOTPCHSA-N 2 2 378.586 3.114 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csc(-c2ccccc2F)n1 ZINC000126377514 1415430400 /nfs/dbraw/zinc/43/04/00/1415430400.db2.gz RWQVLROXLYFDBB-UHFFFAOYSA-N 2 2 376.545 3.407 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csc(-c2ccccc2F)n1 ZINC000126377514 1415430407 /nfs/dbraw/zinc/43/04/07/1415430407.db2.gz RWQVLROXLYFDBB-UHFFFAOYSA-N 2 2 376.545 3.407 20 0 GGADLP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000126383581 1415431875 /nfs/dbraw/zinc/43/18/75/1415431875.db2.gz DGUSZQPPXPCJJZ-INIZCTEOSA-N 2 2 396.491 3.460 20 0 GGADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1 ZINC000126415011 1415445882 /nfs/dbraw/zinc/44/58/82/1415445882.db2.gz LECOKGXATBPVAC-HNNXBMFYSA-N 2 2 399.520 3.188 20 0 GGADLP C[NH+]1CCN(c2ncc(C[N@H+]3CC=C(c4ccc(Cl)cc4)CC3)cn2)CC1 ZINC000126476686 1415465292 /nfs/dbraw/zinc/46/52/92/1415465292.db2.gz AXDVHNNLNOWYRA-UHFFFAOYSA-N 2 2 383.927 3.171 20 0 GGADLP C[NH+]1CCN(c2ncc(C[N@@H+]3CC=C(c4ccc(Cl)cc4)CC3)cn2)CC1 ZINC000126476686 1415465298 /nfs/dbraw/zinc/46/52/98/1415465298.db2.gz AXDVHNNLNOWYRA-UHFFFAOYSA-N 2 2 383.927 3.171 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)CCO2 ZINC000178002445 1428927384 /nfs/dbraw/zinc/92/73/84/1428927384.db2.gz QACMTBLZVKEZHS-GOSISDBHSA-N 2 2 382.504 3.183 20 0 GGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000126752614 1415548396 /nfs/dbraw/zinc/54/83/96/1415548396.db2.gz XSUFDKLJVWGALE-UHFFFAOYSA-N 2 2 392.503 3.078 20 0 GGADLP FC(F)Oc1ccccc1C[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000126757307 1415549624 /nfs/dbraw/zinc/54/96/24/1415549624.db2.gz QSJDXIILILHLJA-UHFFFAOYSA-N 2 2 392.446 3.289 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Cc1ccccc1 ZINC000126795241 1415561846 /nfs/dbraw/zinc/56/18/46/1415561846.db2.gz YFLTUFXZELAYKE-OAQYLSRUSA-N 2 2 395.551 3.044 20 0 GGADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000126951050 1415616998 /nfs/dbraw/zinc/61/69/98/1415616998.db2.gz ZCOZBTGWUMLYQK-RTBURBONSA-N 2 2 376.545 3.207 20 0 GGADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000126951050 1415617004 /nfs/dbraw/zinc/61/70/04/1415617004.db2.gz ZCOZBTGWUMLYQK-RTBURBONSA-N 2 2 376.545 3.207 20 0 GGADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000126950603 1415617187 /nfs/dbraw/zinc/61/71/87/1415617187.db2.gz ZCOZBTGWUMLYQK-RBUKOAKNSA-N 2 2 376.545 3.207 20 0 GGADLP CC(C)c1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000126950603 1415617192 /nfs/dbraw/zinc/61/71/92/1415617192.db2.gz ZCOZBTGWUMLYQK-RBUKOAKNSA-N 2 2 376.545 3.207 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000127289752 1415722923 /nfs/dbraw/zinc/72/29/23/1415722923.db2.gz LLSIBHJFAPJEOQ-SFHVURJKSA-N 3 2 376.564 3.491 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000127305676 1415729369 /nfs/dbraw/zinc/72/93/69/1415729369.db2.gz HFNBXGUXFJOTSW-UHFFFAOYSA-N 2 2 380.414 3.058 20 0 GGADLP O=S(=O)(CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000127385489 1415760810 /nfs/dbraw/zinc/76/08/10/1415760810.db2.gz GIZZZDGXVGDHTA-UHFFFAOYSA-N 2 2 378.582 3.378 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000178132497 1428993505 /nfs/dbraw/zinc/99/35/05/1428993505.db2.gz GJZGTZTYAIZKLU-WOJBJXKFSA-N 2 2 375.557 3.277 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@H](C)C1 ZINC000178132497 1428993509 /nfs/dbraw/zinc/99/35/09/1428993509.db2.gz GJZGTZTYAIZKLU-WOJBJXKFSA-N 2 2 375.557 3.277 20 0 GGADLP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000127811421 1415855250 /nfs/dbraw/zinc/85/52/50/1415855250.db2.gz NTWZONXJLWXMOZ-GHTZIAJQSA-N 2 2 381.524 3.140 20 0 GGADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)c(F)c1 ZINC000127818009 1415856514 /nfs/dbraw/zinc/85/65/14/1415856514.db2.gz ZWDMYLPEJROSLX-UHFFFAOYSA-N 2 2 390.890 3.045 20 0 GGADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)c(F)c1 ZINC000127818009 1415856520 /nfs/dbraw/zinc/85/65/20/1415856520.db2.gz ZWDMYLPEJROSLX-UHFFFAOYSA-N 2 2 390.890 3.045 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127827778 1415858534 /nfs/dbraw/zinc/85/85/34/1415858534.db2.gz MCRDXLUTFVQVPA-UTKZUKDTSA-N 2 2 396.539 3.058 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000127915989 1415874730 /nfs/dbraw/zinc/87/47/30/1415874730.db2.gz PITPVHPKPURVTK-JPYJTQIMSA-N 2 2 393.510 3.449 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000127915989 1415874733 /nfs/dbraw/zinc/87/47/33/1415874733.db2.gz PITPVHPKPURVTK-JPYJTQIMSA-N 2 2 393.510 3.449 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000178193498 1429014793 /nfs/dbraw/zinc/01/47/93/1429014793.db2.gz WMADRCDTXACXBE-UHFFFAOYSA-N 2 2 381.505 3.205 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000128496719 1416000262 /nfs/dbraw/zinc/00/02/62/1416000262.db2.gz KDSZLPILRZGLSM-SJLPKXTDSA-N 2 2 383.458 3.080 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000128496719 1416000266 /nfs/dbraw/zinc/00/02/66/1416000266.db2.gz KDSZLPILRZGLSM-SJLPKXTDSA-N 2 2 383.458 3.080 20 0 GGADLP O=C(NCCC[NH+]1CCCCC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178274284 1429039869 /nfs/dbraw/zinc/03/98/69/1429039869.db2.gz ODRSCRYEQDPBBE-SFTDATJTSA-N 2 2 381.524 3.287 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)c1ccccc1 ZINC000128654352 1416034517 /nfs/dbraw/zinc/03/45/17/1416034517.db2.gz DWDCUIJKBKTRNX-LJQANCHMSA-N 2 2 380.536 3.076 20 0 GGADLP CC[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(F)ccc1F ZINC000128691624 1416043905 /nfs/dbraw/zinc/04/39/05/1416043905.db2.gz PMLVRRSOJPOGHU-IBGZPJMESA-N 2 2 388.462 3.139 20 0 GGADLP CC1(C)Cc2occc2[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000128698836 1416045769 /nfs/dbraw/zinc/04/57/69/1416045769.db2.gz KYSQSFMGEZDQNE-SFHVURJKSA-N 2 2 382.508 3.017 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000128742002 1416056860 /nfs/dbraw/zinc/05/68/60/1416056860.db2.gz NJDPOISTPCQFBU-SFHVURJKSA-N 2 2 378.586 3.230 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000128742002 1416056870 /nfs/dbraw/zinc/05/68/70/1416056870.db2.gz NJDPOISTPCQFBU-SFHVURJKSA-N 2 2 378.586 3.230 20 0 GGADLP C[C@@H]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000128767912 1416062741 /nfs/dbraw/zinc/06/27/41/1416062741.db2.gz IZRPUASUYNYTDP-WIYYLYMNSA-N 2 2 378.520 3.349 20 0 GGADLP C[C@H]1CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000128768142 1416063875 /nfs/dbraw/zinc/06/38/75/1416063875.db2.gz IZRPUASUYNYTDP-GHTZIAJQSA-N 2 2 378.520 3.349 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)Cc1ccccc1 ZINC000178335521 1429054223 /nfs/dbraw/zinc/05/42/23/1429054223.db2.gz YEUYZNQRQGDYLC-LEWJYISDSA-N 2 2 397.567 3.050 20 0 GGADLP O=C(CC[NH2+][C@@H]1CCCCc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000128784932 1416068242 /nfs/dbraw/zinc/06/82/42/1416068242.db2.gz LAGDURBADVUXHF-OAQYLSRUSA-N 2 2 378.520 3.178 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@@H+]1Cc1ccccc1 ZINC000128900277 1416096867 /nfs/dbraw/zinc/09/68/67/1416096867.db2.gz IFKBJJZSSSUYSF-NQIIRXRSSA-N 2 2 389.503 3.335 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000128900716 1416096948 /nfs/dbraw/zinc/09/69/48/1416096948.db2.gz IFKBJJZSSSUYSF-WIYYLYMNSA-N 2 2 389.503 3.335 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccco1 ZINC000129068737 1416137765 /nfs/dbraw/zinc/13/77/65/1416137765.db2.gz FXAAHXLPFDJEPL-SFHVURJKSA-N 2 2 396.495 3.051 20 0 GGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000129200097 1416168763 /nfs/dbraw/zinc/16/87/63/1416168763.db2.gz COEQFHPAZBYMRR-PBHICJAKSA-N 2 2 390.325 3.138 20 0 GGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000129200097 1416168771 /nfs/dbraw/zinc/16/87/71/1416168771.db2.gz COEQFHPAZBYMRR-PBHICJAKSA-N 2 2 390.325 3.138 20 0 GGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000129200097 1416168773 /nfs/dbraw/zinc/16/87/73/1416168773.db2.gz COEQFHPAZBYMRR-PBHICJAKSA-N 2 2 390.325 3.138 20 0 GGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000129200097 1416168782 /nfs/dbraw/zinc/16/87/82/1416168782.db2.gz COEQFHPAZBYMRR-PBHICJAKSA-N 2 2 390.325 3.138 20 0 GGADLP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000129437543 1416209608 /nfs/dbraw/zinc/20/96/08/1416209608.db2.gz LPQYJZKAGRXCLU-XPGWFJOJSA-N 2 2 392.494 3.026 20 0 GGADLP C[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000129437543 1416209611 /nfs/dbraw/zinc/20/96/11/1416209611.db2.gz LPQYJZKAGRXCLU-XPGWFJOJSA-N 2 2 392.494 3.026 20 0 GGADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000129437543 1416209614 /nfs/dbraw/zinc/20/96/14/1416209614.db2.gz LPQYJZKAGRXCLU-XPGWFJOJSA-N 2 2 392.494 3.026 20 0 GGADLP C[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000129437543 1416209618 /nfs/dbraw/zinc/20/96/18/1416209618.db2.gz LPQYJZKAGRXCLU-XPGWFJOJSA-N 2 2 392.494 3.026 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129443643 1416210599 /nfs/dbraw/zinc/21/05/99/1416210599.db2.gz JRYBBEFSGHGAQX-PBHICJAKSA-N 2 2 395.334 3.432 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000129443643 1416210604 /nfs/dbraw/zinc/21/06/04/1416210604.db2.gz JRYBBEFSGHGAQX-PBHICJAKSA-N 2 2 395.334 3.432 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129486815 1416217768 /nfs/dbraw/zinc/21/77/68/1416217768.db2.gz AQKBNESDURWAEP-CVDCTZTESA-N 2 2 375.520 3.327 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129486815 1416217771 /nfs/dbraw/zinc/21/77/71/1416217771.db2.gz AQKBNESDURWAEP-CVDCTZTESA-N 2 2 375.520 3.327 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000178446169 1429079221 /nfs/dbraw/zinc/07/92/21/1429079221.db2.gz ACTOYUWERVPIDI-AVRDEDQJSA-N 2 2 378.520 3.209 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000178446169 1429079227 /nfs/dbraw/zinc/07/92/27/1429079227.db2.gz ACTOYUWERVPIDI-AVRDEDQJSA-N 2 2 378.520 3.209 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129810438 1416267491 /nfs/dbraw/zinc/26/74/91/1416267491.db2.gz QIDVUWSPXFDNPY-LQWHRVPQSA-N 2 2 381.524 3.393 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000129810438 1416267497 /nfs/dbraw/zinc/26/74/97/1416267497.db2.gz QIDVUWSPXFDNPY-LQWHRVPQSA-N 2 2 381.524 3.393 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129827530 1416269928 /nfs/dbraw/zinc/26/99/28/1416269928.db2.gz UZSYZKJVHCWMKI-GHTZIAJQSA-N 2 2 384.524 3.261 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c1 ZINC000129827530 1416269933 /nfs/dbraw/zinc/26/99/33/1416269933.db2.gz UZSYZKJVHCWMKI-GHTZIAJQSA-N 2 2 384.524 3.261 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129829997 1416270491 /nfs/dbraw/zinc/27/04/91/1416270491.db2.gz UQRSASRJOFAKGW-RXVVDRJESA-N 2 2 384.524 3.007 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000129829997 1416270499 /nfs/dbraw/zinc/27/04/99/1416270499.db2.gz UQRSASRJOFAKGW-RXVVDRJESA-N 2 2 384.524 3.007 20 0 GGADLP C[C@H]1C[C@H]1c1ccc(C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)o1 ZINC000129850931 1416274132 /nfs/dbraw/zinc/27/41/32/1416274132.db2.gz YPDSDAKABCIBSB-OXJNMPFZSA-N 2 2 381.524 3.109 20 0 GGADLP C[C@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)o1 ZINC000129850931 1416274136 /nfs/dbraw/zinc/27/41/36/1416274136.db2.gz YPDSDAKABCIBSB-OXJNMPFZSA-N 2 2 381.524 3.109 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000129929402 1416286574 /nfs/dbraw/zinc/28/65/74/1416286574.db2.gz KFPKOECISHVUST-INIZCTEOSA-N 2 2 398.532 3.282 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2S(=O)(=O)N(C)C)cc1 ZINC000129929221 1416286630 /nfs/dbraw/zinc/28/66/30/1416286630.db2.gz KFPKOECISHVUST-MRXNPFEDSA-N 2 2 398.532 3.282 20 0 GGADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000129962640 1416292228 /nfs/dbraw/zinc/29/22/28/1416292228.db2.gz PADJCJQFNJOPOE-CRAIPNDOSA-N 2 2 396.938 3.037 20 0 GGADLP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000129962640 1416292233 /nfs/dbraw/zinc/29/22/33/1416292233.db2.gz PADJCJQFNJOPOE-CRAIPNDOSA-N 2 2 396.938 3.037 20 0 GGADLP Cn1nc(-c2ccccc2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1Cl ZINC000130365115 1416365548 /nfs/dbraw/zinc/36/55/48/1416365548.db2.gz ZOIVICHMMVXOQF-INIZCTEOSA-N 2 2 388.943 3.331 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000130408651 1416373036 /nfs/dbraw/zinc/37/30/36/1416373036.db2.gz RVJWZIKOPDIIRL-AWEZNQCLSA-N 2 2 383.330 3.048 20 0 GGADLP CCOc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1OC(F)F ZINC000130410290 1416373557 /nfs/dbraw/zinc/37/35/57/1416373557.db2.gz USGRBQFXUAALTL-OAHLLOKOSA-N 2 2 384.467 3.277 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)CC1 ZINC000130568196 1416400589 /nfs/dbraw/zinc/40/05/89/1416400589.db2.gz LLJJNRPKHYIQQM-HNNXBMFYSA-N 2 2 382.430 3.058 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc4cc(C(F)(F)F)ccc4o3)C2)CC1 ZINC000130568196 1416400593 /nfs/dbraw/zinc/40/05/93/1416400593.db2.gz LLJJNRPKHYIQQM-HNNXBMFYSA-N 2 2 382.430 3.058 20 0 GGADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cnn1-c1cccc(Cl)c1 ZINC000178520382 1429095811 /nfs/dbraw/zinc/09/58/11/1429095811.db2.gz UPFRNJWIGAUBNW-OAHLLOKOSA-N 2 2 376.932 3.332 20 0 GGADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cnn1-c1cccc(Cl)c1 ZINC000178520393 1429096251 /nfs/dbraw/zinc/09/62/51/1429096251.db2.gz UPFRNJWIGAUBNW-HNNXBMFYSA-N 2 2 376.932 3.332 20 0 GGADLP COc1cc(OC)cc([C@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000130997389 1416493291 /nfs/dbraw/zinc/49/32/91/1416493291.db2.gz GIOPAIQOZUSZIX-HSZRJFAPSA-N 2 2 399.535 3.062 20 0 GGADLP COc1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc(OC)c1OC ZINC000131009599 1416495710 /nfs/dbraw/zinc/49/57/10/1416495710.db2.gz ZMBJXGFOVWSROX-MRXNPFEDSA-N 2 2 385.508 3.423 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000131033944 1416499100 /nfs/dbraw/zinc/49/91/00/1416499100.db2.gz OTTLETWNJKNJNJ-QGZVFWFLSA-N 2 2 376.508 3.192 20 0 GGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)ccc1-n1cncn1 ZINC000131054814 1416502184 /nfs/dbraw/zinc/50/21/84/1416502184.db2.gz MXUQIUUXZYYXOV-SFHVURJKSA-N 2 2 376.508 3.286 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131220945 1416525156 /nfs/dbraw/zinc/52/51/56/1416525156.db2.gz JYCHJILSQRPMOZ-UONOGXRCSA-N 2 2 378.879 3.494 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131220945 1416525159 /nfs/dbraw/zinc/52/51/59/1416525159.db2.gz JYCHJILSQRPMOZ-UONOGXRCSA-N 2 2 378.879 3.494 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000131224425 1416526034 /nfs/dbraw/zinc/52/60/34/1416526034.db2.gz RSFNAWSSBHREOC-LJQANCHMSA-N 2 2 395.551 3.304 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(N3CCCCC3)cc2)C1 ZINC000131224425 1416526037 /nfs/dbraw/zinc/52/60/37/1416526037.db2.gz RSFNAWSSBHREOC-LJQANCHMSA-N 2 2 395.551 3.304 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000131265031 1416531844 /nfs/dbraw/zinc/53/18/44/1416531844.db2.gz YQOXOXULUNMCMY-IBGZPJMESA-N 2 2 393.539 3.199 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CCCCCn2nnc(-c3ccccc3)n2)C1 ZINC000131265031 1416531848 /nfs/dbraw/zinc/53/18/48/1416531848.db2.gz YQOXOXULUNMCMY-IBGZPJMESA-N 2 2 393.539 3.199 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000131287472 1416535448 /nfs/dbraw/zinc/53/54/48/1416535448.db2.gz FWQNGBUWIXTNEY-IBGZPJMESA-N 2 2 392.503 3.398 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000131287472 1416535453 /nfs/dbraw/zinc/53/54/53/1416535453.db2.gz FWQNGBUWIXTNEY-IBGZPJMESA-N 2 2 392.503 3.398 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000131303400 1416537201 /nfs/dbraw/zinc/53/72/01/1416537201.db2.gz IUVGCFCAASZQLY-GFCCVEGCSA-N 2 2 391.397 3.342 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000131303400 1416537205 /nfs/dbraw/zinc/53/72/05/1416537205.db2.gz IUVGCFCAASZQLY-GFCCVEGCSA-N 2 2 391.397 3.342 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000131309860 1416538332 /nfs/dbraw/zinc/53/83/32/1416538332.db2.gz LVWNKYJBZQUMOA-HNNXBMFYSA-N 2 2 395.532 3.097 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000131309860 1416538335 /nfs/dbraw/zinc/53/83/35/1416538335.db2.gz LVWNKYJBZQUMOA-HNNXBMFYSA-N 2 2 395.532 3.097 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000131333800 1416541491 /nfs/dbraw/zinc/54/14/91/1416541491.db2.gz LTPNKLCKOSUVJM-UYAOXDASSA-N 2 2 385.552 3.412 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000131333800 1416541495 /nfs/dbraw/zinc/54/14/95/1416541495.db2.gz LTPNKLCKOSUVJM-UYAOXDASSA-N 2 2 385.552 3.412 20 0 GGADLP Cc1ccc2nc(NC(=O)C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)sc2c1 ZINC000131333042 1416541573 /nfs/dbraw/zinc/54/15/73/1416541573.db2.gz YBBMHOZNEMVEPC-OAHLLOKOSA-N 2 2 383.521 3.231 20 0 GGADLP Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)sc2c1 ZINC000131333042 1416541575 /nfs/dbraw/zinc/54/15/75/1416541575.db2.gz YBBMHOZNEMVEPC-OAHLLOKOSA-N 2 2 383.521 3.231 20 0 GGADLP COC(=O)c1ccc(OCC[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000131352234 1416543858 /nfs/dbraw/zinc/54/38/58/1416543858.db2.gz QYGHIRXXSVZBBX-OAHLLOKOSA-N 2 2 391.899 3.194 20 0 GGADLP COC(=O)c1ccc(OCC[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(Cl)c1 ZINC000131352234 1416543860 /nfs/dbraw/zinc/54/38/60/1416543860.db2.gz QYGHIRXXSVZBBX-OAHLLOKOSA-N 2 2 391.899 3.194 20 0 GGADLP CN(c1ccccc1CNc1ccc(N2CCOCC2)c[nH+]1)C1CC[NH+](C)CC1 ZINC000131404673 1416552149 /nfs/dbraw/zinc/55/21/49/1416552149.db2.gz HVJQMDIJCVCKSD-UHFFFAOYSA-N 2 2 395.551 3.061 20 0 GGADLP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@](C)(O)C[NH+](C)C)cc1 ZINC000131533200 1416572653 /nfs/dbraw/zinc/57/26/53/1416572653.db2.gz COAWIMYCYYZPEO-DEOSSOPVSA-N 2 2 392.547 3.309 20 0 GGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)N1CCOCC1 ZINC000131813804 1416627176 /nfs/dbraw/zinc/62/71/76/1416627176.db2.gz QVZPUSAELNXABZ-VJBMBRPKSA-N 2 2 388.600 3.019 20 0 GGADLP CCC(CC)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)N1CCOCC1 ZINC000131813804 1416627182 /nfs/dbraw/zinc/62/71/82/1416627182.db2.gz QVZPUSAELNXABZ-VJBMBRPKSA-N 2 2 388.600 3.019 20 0 GGADLP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000131945377 1416656597 /nfs/dbraw/zinc/65/65/97/1416656597.db2.gz RYFHARNFIBVCCS-OAQYLSRUSA-N 2 2 397.567 3.284 20 0 GGADLP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000131945377 1416656601 /nfs/dbraw/zinc/65/66/01/1416656601.db2.gz RYFHARNFIBVCCS-OAQYLSRUSA-N 2 2 397.567 3.284 20 0 GGADLP O=C(NC1CC[NH+](C2CC2)CC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000132130707 1416703752 /nfs/dbraw/zinc/70/37/52/1416703752.db2.gz MRQMZOFBMPNJJP-NHCUHLMSSA-N 2 2 379.508 3.038 20 0 GGADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)C1CCCCC1 ZINC000178621674 1429123400 /nfs/dbraw/zinc/12/34/00/1429123400.db2.gz KQQYSCQKIQBTHH-MSOLQXFVSA-N 2 2 378.605 3.449 20 0 GGADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)C1CCCCC1 ZINC000178621653 1429123764 /nfs/dbraw/zinc/12/37/64/1429123764.db2.gz KQQYSCQKIQBTHH-QZTJIDSGSA-N 2 2 378.605 3.449 20 0 GGADLP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC([N@H+](C)CCCO)CC3)o2)cc1 ZINC000132355294 1416743684 /nfs/dbraw/zinc/74/36/84/1416743684.db2.gz OFYKNNPFWWAJDS-UHFFFAOYSA-N 2 2 386.492 3.012 20 0 GGADLP COC(=O)c1ccc(-c2ccc(C[NH+]3CCC([N@@H+](C)CCCO)CC3)o2)cc1 ZINC000132355294 1416743686 /nfs/dbraw/zinc/74/36/86/1416743686.db2.gz OFYKNNPFWWAJDS-UHFFFAOYSA-N 2 2 386.492 3.012 20 0 GGADLP Fc1cccc(F)c1-c1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)co1 ZINC000132452491 1416763769 /nfs/dbraw/zinc/76/37/69/1416763769.db2.gz WJHXKIKNBXBGCQ-UHFFFAOYSA-N 2 2 377.435 3.164 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)c1C ZINC000132543093 1416782055 /nfs/dbraw/zinc/78/20/55/1416782055.db2.gz PQBVRBZDSKATOS-QGZVFWFLSA-N 2 2 397.523 3.127 20 0 GGADLP CC1CC[NH+](CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000132783868 1416814584 /nfs/dbraw/zinc/81/45/84/1416814584.db2.gz GCFRKJLBVKTSAE-NHCUHLMSSA-N 2 2 381.524 3.143 20 0 GGADLP Cc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000178663883 1429132759 /nfs/dbraw/zinc/13/27/59/1429132759.db2.gz PEYUCDCKCDEDNF-OAHLLOKOSA-N 2 2 375.538 3.322 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCO2 ZINC000178663762 1429132802 /nfs/dbraw/zinc/13/28/02/1429132802.db2.gz FLEWAEWQYRRSMM-GOSISDBHSA-N 2 2 382.504 3.183 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000133014926 1416842184 /nfs/dbraw/zinc/84/21/84/1416842184.db2.gz HOAGKTSCHACFSR-RBUKOAKNSA-N 2 2 387.568 3.222 20 0 GGADLP COC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133019285 1416842444 /nfs/dbraw/zinc/84/24/44/1416842444.db2.gz UYAAJQMSSXYNMB-DNVCBOLYSA-N 2 2 386.458 3.483 20 0 GGADLP C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000133641150 1416928812 /nfs/dbraw/zinc/92/88/12/1416928812.db2.gz CPAOROKUMMYSIW-QMMLZNLJSA-N 2 2 381.524 3.143 20 0 GGADLP O=C(CC[NH2+]Cc1ccc(-c2ccccc2)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000133743033 1416955043 /nfs/dbraw/zinc/95/50/43/1416955043.db2.gz JQDMDYOWHUISOB-UHFFFAOYSA-N 2 2 390.487 3.170 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000133902385 1416991378 /nfs/dbraw/zinc/99/13/78/1416991378.db2.gz ISAHOVKNLSXHTJ-NRFANRHFSA-N 2 2 384.499 3.086 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000133902385 1416991385 /nfs/dbraw/zinc/99/13/85/1416991385.db2.gz ISAHOVKNLSXHTJ-NRFANRHFSA-N 2 2 384.499 3.086 20 0 GGADLP C[NH2+]CCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000178708501 1429147897 /nfs/dbraw/zinc/14/78/97/1429147897.db2.gz JZTUPAZUFLJFRF-UHFFFAOYSA-N 2 2 375.513 3.198 20 0 GGADLP CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134406609 1417066019 /nfs/dbraw/zinc/06/60/19/1417066019.db2.gz RBRQLLWDNWTDCK-GOSISDBHSA-N 2 2 383.540 3.004 20 0 GGADLP CC[C@H](C)Oc1cc(C)ccc1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000134406630 1417066165 /nfs/dbraw/zinc/06/61/65/1417066165.db2.gz RBRQLLWDNWTDCK-SFHVURJKSA-N 2 2 383.540 3.004 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887426 1417140140 /nfs/dbraw/zinc/14/01/40/1417140140.db2.gz NSXQZHZNMATYPI-FOIQADDNSA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134887426 1417140145 /nfs/dbraw/zinc/14/01/45/1417140145.db2.gz NSXQZHZNMATYPI-FOIQADDNSA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134887426 1417140150 /nfs/dbraw/zinc/14/01/50/1417140150.db2.gz NSXQZHZNMATYPI-FOIQADDNSA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134887426 1417140161 /nfs/dbraw/zinc/14/01/61/1417140161.db2.gz NSXQZHZNMATYPI-FOIQADDNSA-N 2 2 393.934 3.386 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134888807 1417140260 /nfs/dbraw/zinc/14/02/60/1417140260.db2.gz BERGFCZHMSMTTQ-ZFJSRUIDSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134888807 1417140265 /nfs/dbraw/zinc/14/02/65/1417140265.db2.gz BERGFCZHMSMTTQ-ZFJSRUIDSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134888807 1417140269 /nfs/dbraw/zinc/14/02/69/1417140269.db2.gz BERGFCZHMSMTTQ-ZFJSRUIDSA-N 2 2 397.563 3.211 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134888807 1417140273 /nfs/dbraw/zinc/14/02/73/1417140273.db2.gz BERGFCZHMSMTTQ-ZFJSRUIDSA-N 2 2 397.563 3.211 20 0 GGADLP CC(C)Oc1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134903873 1417142619 /nfs/dbraw/zinc/14/26/19/1417142619.db2.gz UWLAQCSMAHWHLI-NFBKMPQASA-N 2 2 399.579 3.081 20 0 GGADLP CC(C)Oc1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134903873 1417142622 /nfs/dbraw/zinc/14/26/22/1417142622.db2.gz UWLAQCSMAHWHLI-NFBKMPQASA-N 2 2 399.579 3.081 20 0 GGADLP CC(C)Oc1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134903873 1417142627 /nfs/dbraw/zinc/14/26/27/1417142627.db2.gz UWLAQCSMAHWHLI-NFBKMPQASA-N 2 2 399.579 3.081 20 0 GGADLP CC(C)Oc1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134903873 1417142633 /nfs/dbraw/zinc/14/26/33/1417142633.db2.gz UWLAQCSMAHWHLI-NFBKMPQASA-N 2 2 399.579 3.081 20 0 GGADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922387 1417145873 /nfs/dbraw/zinc/14/58/73/1417145873.db2.gz SWCXDYAQNMSNHJ-BMQTXXJKSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922387 1417145877 /nfs/dbraw/zinc/14/58/77/1417145877.db2.gz SWCXDYAQNMSNHJ-BMQTXXJKSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134922387 1417145879 /nfs/dbraw/zinc/14/58/79/1417145879.db2.gz SWCXDYAQNMSNHJ-BMQTXXJKSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134922387 1417145883 /nfs/dbraw/zinc/14/58/83/1417145883.db2.gz SWCXDYAQNMSNHJ-BMQTXXJKSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134924857 1417145965 /nfs/dbraw/zinc/14/59/65/1417145965.db2.gz LCJFALFAYAEBEF-XXBNENTESA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134924857 1417145969 /nfs/dbraw/zinc/14/59/69/1417145969.db2.gz LCJFALFAYAEBEF-XXBNENTESA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134924857 1417145972 /nfs/dbraw/zinc/14/59/72/1417145972.db2.gz LCJFALFAYAEBEF-XXBNENTESA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134924857 1417145973 /nfs/dbraw/zinc/14/59/73/1417145973.db2.gz LCJFALFAYAEBEF-XXBNENTESA-N 2 2 397.563 3.135 20 0 GGADLP Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134945766 1417149338 /nfs/dbraw/zinc/14/93/38/1417149338.db2.gz CSEVMELWRZTZSF-OFNKIYASSA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134945766 1417149342 /nfs/dbraw/zinc/14/93/42/1417149342.db2.gz CSEVMELWRZTZSF-OFNKIYASSA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134945766 1417149345 /nfs/dbraw/zinc/14/93/45/1417149345.db2.gz CSEVMELWRZTZSF-OFNKIYASSA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134945766 1417149353 /nfs/dbraw/zinc/14/93/53/1417149353.db2.gz CSEVMELWRZTZSF-OFNKIYASSA-N 2 2 381.564 3.435 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1F ZINC000135119177 1417174307 /nfs/dbraw/zinc/17/43/07/1417174307.db2.gz OLDUOFGYOHHSFJ-UHFFFAOYSA-N 2 2 395.482 3.132 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000135625961 1417249381 /nfs/dbraw/zinc/24/93/81/1417249381.db2.gz DGVAXTUQKSNMIQ-SFHVURJKSA-N 2 2 393.531 3.029 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)[N@H+]1CCc2ccccc2C1 ZINC000135625961 1417249386 /nfs/dbraw/zinc/24/93/86/1417249386.db2.gz DGVAXTUQKSNMIQ-SFHVURJKSA-N 2 2 393.531 3.029 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC000135968253 1417282472 /nfs/dbraw/zinc/28/24/72/1417282472.db2.gz DJSVOCUGCLAHMX-GUDVDZBRSA-N 2 2 380.536 3.240 20 0 GGADLP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000136302054 1417308218 /nfs/dbraw/zinc/30/82/18/1417308218.db2.gz OFKSRIBHYIDCGH-IBGZPJMESA-N 2 2 397.523 3.042 20 0 GGADLP Cc1cc[nH+]c(N2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)c1 ZINC000136302093 1417308264 /nfs/dbraw/zinc/30/82/64/1417308264.db2.gz OFKSRIBHYIDCGH-LJQANCHMSA-N 2 2 397.523 3.042 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000136376003 1417312376 /nfs/dbraw/zinc/31/23/76/1417312376.db2.gz WKQGYDJPOVFYCV-PZJWPPBQSA-N 2 2 397.567 3.467 20 0 GGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1OC(C)C ZINC000136582102 1417329012 /nfs/dbraw/zinc/32/90/12/1417329012.db2.gz WRYKKKSMORFFOF-UXHICEINSA-N 2 2 376.541 3.340 20 0 GGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1OC(C)C ZINC000136582231 1417329540 /nfs/dbraw/zinc/32/95/40/1417329540.db2.gz WRYKKKSMORFFOF-VQTJNVASSA-N 2 2 376.541 3.340 20 0 GGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000136596008 1417330795 /nfs/dbraw/zinc/33/07/95/1417330795.db2.gz VROTVYDOFIPLNX-ROUUACIJSA-N 2 2 385.321 3.446 20 0 GGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000136596043 1417330903 /nfs/dbraw/zinc/33/09/03/1417330903.db2.gz VROTVYDOFIPLNX-QZTJIDSGSA-N 2 2 385.321 3.446 20 0 GGADLP COc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000136598971 1417331222 /nfs/dbraw/zinc/33/12/22/1417331222.db2.gz MWYNXDGIMNFHBX-MSOLQXFVSA-N 2 2 384.467 3.154 20 0 GGADLP COc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000136599080 1417331386 /nfs/dbraw/zinc/33/13/86/1417331386.db2.gz MWYNXDGIMNFHBX-QZTJIDSGSA-N 2 2 384.467 3.154 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000136675535 1417337360 /nfs/dbraw/zinc/33/73/60/1417337360.db2.gz DPQAQOBIFHPCGD-UHFFFAOYSA-N 2 2 385.556 3.232 20 0 GGADLP CCC(CC)[C@@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[NH+]1CCCC1 ZINC000136688314 1417338654 /nfs/dbraw/zinc/33/86/54/1417338654.db2.gz JOCMJPFVMGQCHR-UYAOXDASSA-N 2 2 389.588 3.285 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000136836808 1417348878 /nfs/dbraw/zinc/34/88/78/1417348878.db2.gz XQCGSPYGYHVFMV-PZJWPPBQSA-N 2 2 395.551 3.221 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000136836756 1417348992 /nfs/dbraw/zinc/34/89/92/1417348992.db2.gz XQCGSPYGYHVFMV-CTNGQTDRSA-N 2 2 395.551 3.221 20 0 GGADLP CC(C)OC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136925465 1417355711 /nfs/dbraw/zinc/35/57/11/1417355711.db2.gz FVVQTOHKWVMFQL-IBGZPJMESA-N 2 2 388.474 3.388 20 0 GGADLP CC(C)OC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136925465 1417355719 /nfs/dbraw/zinc/35/57/19/1417355719.db2.gz FVVQTOHKWVMFQL-IBGZPJMESA-N 2 2 388.474 3.388 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)C1 ZINC000137215612 1417375131 /nfs/dbraw/zinc/37/51/31/1417375131.db2.gz PFKSQRFMAKFXMO-LJQANCHMSA-N 2 2 383.540 3.347 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)C1 ZINC000137215612 1417375140 /nfs/dbraw/zinc/37/51/40/1417375140.db2.gz PFKSQRFMAKFXMO-LJQANCHMSA-N 2 2 383.540 3.347 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000137387450 1417383259 /nfs/dbraw/zinc/38/32/59/1417383259.db2.gz DQQYGZURXXQYHG-UHFFFAOYSA-N 2 2 385.487 3.171 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000137506677 1417388502 /nfs/dbraw/zinc/38/85/02/1417388502.db2.gz POQSLUCHLUKTMH-OIBXWCBGSA-N 2 2 392.547 3.215 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000137506677 1417388509 /nfs/dbraw/zinc/38/85/09/1417388509.db2.gz POQSLUCHLUKTMH-OIBXWCBGSA-N 2 2 392.547 3.215 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)C[NH+]1Cc1ccccc1 ZINC000137506677 1417388512 /nfs/dbraw/zinc/38/85/12/1417388512.db2.gz POQSLUCHLUKTMH-OIBXWCBGSA-N 2 2 392.547 3.215 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)C[NH+]1Cc1ccccc1 ZINC000137506677 1417388518 /nfs/dbraw/zinc/38/85/18/1417388518.db2.gz POQSLUCHLUKTMH-OIBXWCBGSA-N 2 2 392.547 3.215 20 0 GGADLP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000138205503 1417407498 /nfs/dbraw/zinc/40/74/98/1417407498.db2.gz OAAINPIIVAFBLM-FGZHOGPDSA-N 2 2 395.572 3.167 20 0 GGADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000138205503 1417407501 /nfs/dbraw/zinc/40/75/01/1417407501.db2.gz OAAINPIIVAFBLM-FGZHOGPDSA-N 2 2 395.572 3.167 20 0 GGADLP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000139566831 1417464409 /nfs/dbraw/zinc/46/44/09/1417464409.db2.gz NIUIGSAMFXOOTA-PBHICJAKSA-N 2 2 382.911 3.009 20 0 GGADLP C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000139566831 1417464418 /nfs/dbraw/zinc/46/44/18/1417464418.db2.gz NIUIGSAMFXOOTA-PBHICJAKSA-N 2 2 382.911 3.009 20 0 GGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000139933847 1417482094 /nfs/dbraw/zinc/48/20/94/1417482094.db2.gz ZKVSLUDPNOFFEX-RTBURBONSA-N 2 2 389.588 3.285 20 0 GGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C1 ZINC000139933847 1417482096 /nfs/dbraw/zinc/48/20/96/1417482096.db2.gz ZKVSLUDPNOFFEX-RTBURBONSA-N 2 2 389.588 3.285 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000140631457 1417510958 /nfs/dbraw/zinc/51/09/58/1417510958.db2.gz AOLWFQNQUIYVPY-SFTDATJTSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000140631457 1417510974 /nfs/dbraw/zinc/51/09/74/1417510974.db2.gz AOLWFQNQUIYVPY-SFTDATJTSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000141541023 1417542916 /nfs/dbraw/zinc/54/29/16/1417542916.db2.gz ANMWGMJFEJBEFT-LJQANCHMSA-N 2 2 375.561 3.040 20 0 GGADLP COc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000144069515 1417656336 /nfs/dbraw/zinc/65/63/36/1417656336.db2.gz HTSHDNDQGNMXEX-FGZHOGPDSA-N 2 2 381.520 3.251 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCC1 ZINC000144133290 1417657355 /nfs/dbraw/zinc/65/73/55/1417657355.db2.gz JRQDUZJLUYYTCO-UNMCSNQZSA-N 2 2 381.520 3.251 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150789169 1417806888 /nfs/dbraw/zinc/80/68/88/1417806888.db2.gz QOCSNESKLRELNL-JKSUJKDBSA-N 2 2 381.923 3.244 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150789169 1417806889 /nfs/dbraw/zinc/80/68/89/1417806889.db2.gz QOCSNESKLRELNL-JKSUJKDBSA-N 2 2 381.923 3.244 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000151154887 1417883667 /nfs/dbraw/zinc/88/36/67/1417883667.db2.gz DRJKNGNMSRQRCI-GOSISDBHSA-N 2 2 382.552 3.410 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000151154887 1417883668 /nfs/dbraw/zinc/88/36/68/1417883668.db2.gz DRJKNGNMSRQRCI-GOSISDBHSA-N 2 2 382.552 3.410 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000151332003 1417928147 /nfs/dbraw/zinc/92/81/47/1417928147.db2.gz RAMFZJLDLZHXGK-MRXNPFEDSA-N 2 2 384.505 3.154 20 0 GGADLP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000151358328 1417934739 /nfs/dbraw/zinc/93/47/39/1417934739.db2.gz UTGWQQCIJJBHIF-CVDCTZTESA-N 2 2 375.520 3.327 20 0 GGADLP CN(C(=O)NCc1ccccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178929180 1429222735 /nfs/dbraw/zinc/22/27/35/1429222735.db2.gz DAIKUHPJLDFYKB-SFTDATJTSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1ccccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178929180 1429222744 /nfs/dbraw/zinc/22/27/44/1429222744.db2.gz DAIKUHPJLDFYKB-SFTDATJTSA-N 2 2 390.547 3.304 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151433397 1417966610 /nfs/dbraw/zinc/96/66/10/1417966610.db2.gz HECLCGDTKOLXDC-XXBNENTESA-N 2 2 392.547 3.204 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000151433397 1417966623 /nfs/dbraw/zinc/96/66/23/1417966623.db2.gz HECLCGDTKOLXDC-XXBNENTESA-N 2 2 392.547 3.204 20 0 GGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151544484 1418020175 /nfs/dbraw/zinc/02/01/75/1418020175.db2.gz CIQBBXJPAKBBGD-WIYYLYMNSA-N 2 2 380.536 3.035 20 0 GGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151544484 1418020180 /nfs/dbraw/zinc/02/01/80/1418020180.db2.gz CIQBBXJPAKBBGD-WIYYLYMNSA-N 2 2 380.536 3.035 20 0 GGADLP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000151574947 1418029298 /nfs/dbraw/zinc/02/92/98/1418029298.db2.gz UTECJHRHQHKTHL-RDPSFJRHSA-N 2 2 379.548 3.129 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H](OC(C)(C)C)c3ccccc3)CC2)CC1 ZINC000151599299 1418036312 /nfs/dbraw/zinc/03/63/12/1418036312.db2.gz OVPUCYBWJXFKCZ-NRFANRHFSA-N 2 2 387.568 3.218 20 0 GGADLP C[C@@H](Cc1ccccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000151599086 1418036505 /nfs/dbraw/zinc/03/65/05/1418036505.db2.gz RHCHFNOWGLLFNV-INIZCTEOSA-N 2 2 377.960 3.193 20 0 GGADLP C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000151650248 1418050031 /nfs/dbraw/zinc/05/00/31/1418050031.db2.gz WKVSQCDWSZFTMW-GBESFXJTSA-N 2 2 385.512 3.296 20 0 GGADLP O=C(NCCc1cn2c([nH+]1)CCCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000151696711 1418063847 /nfs/dbraw/zinc/06/38/47/1418063847.db2.gz WLIQGUYKNQQKKE-UHFFFAOYSA-N 2 2 387.572 3.060 20 0 GGADLP CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)[NH+](C)C)cc1 ZINC000151703658 1418066881 /nfs/dbraw/zinc/06/68/81/1418066881.db2.gz OWUBIPUVMXGZPI-NHCUHLMSSA-N 2 2 382.508 3.110 20 0 GGADLP CC[NH+](CC)[C@@H](C[NH2+]C1CCN(C(=O)c2ccoc2)CC1)Cc1ccccc1 ZINC000151726891 1418072268 /nfs/dbraw/zinc/07/22/68/1418072268.db2.gz POELGJQOHISMJK-JOCHJYFZSA-N 2 2 383.536 3.427 20 0 GGADLP CC1CC[NH+](C2CCC(NC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)CC2)CC1 ZINC000151757299 1418079142 /nfs/dbraw/zinc/07/91/42/1418079142.db2.gz AUQGOMLKAUIWLM-IOJLRTSASA-N 2 2 385.556 3.003 20 0 GGADLP CC1CC[NH+](C2CCC(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)CC2)CC1 ZINC000151757364 1418079245 /nfs/dbraw/zinc/07/92/45/1418079245.db2.gz AUQGOMLKAUIWLM-GPJFCIFZSA-N 2 2 385.556 3.003 20 0 GGADLP C[NH+]1CCC(CCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000151795029 1418088525 /nfs/dbraw/zinc/08/85/25/1418088525.db2.gz LPBYTJOKEDETDN-SFTDATJTSA-N 2 2 381.524 3.143 20 0 GGADLP C[NH+]1CCC(CCNC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000151795219 1418088710 /nfs/dbraw/zinc/08/87/10/1418088710.db2.gz LPBYTJOKEDETDN-RTWAWAEBSA-N 2 2 381.524 3.143 20 0 GGADLP C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000152104362 1418146323 /nfs/dbraw/zinc/14/63/23/1418146323.db2.gz KSROILFIFNIGLF-NQIIRXRSSA-N 2 2 381.524 3.272 20 0 GGADLP CC(C)[C@@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[NH+]1CCC(C)CC1 ZINC000152146170 1418157389 /nfs/dbraw/zinc/15/73/89/1418157389.db2.gz WGOBOHNGOKDSPS-XUVXKRRUSA-N 2 2 375.561 3.232 20 0 GGADLP CC[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000152165938 1418162664 /nfs/dbraw/zinc/16/26/64/1418162664.db2.gz GNVHQZQUTHGFHD-STZQEDGTSA-N 2 2 395.551 3.313 20 0 GGADLP CC[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[N@H+]1CCc2ccccc2C1 ZINC000152165938 1418162672 /nfs/dbraw/zinc/16/26/72/1418162672.db2.gz GNVHQZQUTHGFHD-STZQEDGTSA-N 2 2 395.551 3.313 20 0 GGADLP C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000179344667 1429337201 /nfs/dbraw/zinc/33/72/01/1429337201.db2.gz XJLZCWGSHAFGKZ-HTAPYJJXSA-N 2 2 384.568 3.168 20 0 GGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000179349098 1429339234 /nfs/dbraw/zinc/33/92/34/1429339234.db2.gz DNOXXXIZUIBDAG-QFIPXVFZSA-N 2 2 380.536 3.449 20 0 GGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000179349098 1429339238 /nfs/dbraw/zinc/33/92/38/1429339238.db2.gz DNOXXXIZUIBDAG-QFIPXVFZSA-N 2 2 380.536 3.449 20 0 GGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000179349112 1429339260 /nfs/dbraw/zinc/33/92/60/1429339260.db2.gz DNOXXXIZUIBDAG-JOCHJYFZSA-N 2 2 380.536 3.449 20 0 GGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000179349112 1429339265 /nfs/dbraw/zinc/33/92/65/1429339265.db2.gz DNOXXXIZUIBDAG-JOCHJYFZSA-N 2 2 380.536 3.449 20 0 GGADLP CC(C)[NH+](CCSCC(=O)N1CC[NH+](Cc2cccs2)CC1)C(C)C ZINC000179489997 1429391738 /nfs/dbraw/zinc/39/17/38/1429391738.db2.gz LOMKMDPTNZQKGN-UHFFFAOYSA-N 2 2 383.627 3.244 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000179494867 1429393842 /nfs/dbraw/zinc/39/38/42/1429393842.db2.gz DCFGYSGKCYJTLT-IHPCNDPISA-N 2 2 388.556 3.281 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000179494867 1429393846 /nfs/dbraw/zinc/39/38/46/1429393846.db2.gz DCFGYSGKCYJTLT-IHPCNDPISA-N 2 2 388.556 3.281 20 0 GGADLP CC(C)Oc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000179530859 1429411922 /nfs/dbraw/zinc/41/19/22/1429411922.db2.gz IFRARTHOEHHKQI-RTBURBONSA-N 2 2 396.535 3.257 20 0 GGADLP CC(C)Oc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000179530848 1429412149 /nfs/dbraw/zinc/41/21/49/1429412149.db2.gz IFRARTHOEHHKQI-OALUTQOASA-N 2 2 396.535 3.257 20 0 GGADLP CC(C)([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(F)c1 ZINC000179571331 1429441479 /nfs/dbraw/zinc/44/14/79/1429441479.db2.gz MBSOFNJLXKJWNI-UHFFFAOYSA-N 2 2 385.483 3.121 20 0 GGADLP C[C@@H](c1ccncc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000179668639 1429499174 /nfs/dbraw/zinc/49/91/74/1429499174.db2.gz YXDNCLFEQZYJHR-KRWDZBQOSA-N 2 2 384.549 3.262 20 0 GGADLP C[C@@H](c1ccncc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000179668639 1429499178 /nfs/dbraw/zinc/49/91/78/1429499178.db2.gz YXDNCLFEQZYJHR-KRWDZBQOSA-N 2 2 384.549 3.262 20 0 GGADLP O=C(CC[NH2+]C1(c2cccc(Cl)c2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000179669734 1429499213 /nfs/dbraw/zinc/49/92/13/1429499213.db2.gz CRQFCWQEMPQTBM-UHFFFAOYSA-N 2 2 384.911 3.053 20 0 GGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000179677723 1429503063 /nfs/dbraw/zinc/50/30/63/1429503063.db2.gz PDEXGQISXLGIIB-RBUKOAKNSA-N 2 2 396.535 3.257 20 0 GGADLP CN(C(=O)Nc1ccc(F)nc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179696466 1429511442 /nfs/dbraw/zinc/51/14/42/1429511442.db2.gz NBLFYCIGJOFPMB-ROUUACIJSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccc(F)nc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179696466 1429511450 /nfs/dbraw/zinc/51/14/50/1429511450.db2.gz NBLFYCIGJOFPMB-ROUUACIJSA-N 2 2 377.508 3.022 20 0 GGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCOCC2)c1 ZINC000152365784 1422084809 /nfs/dbraw/zinc/08/48/09/1422084809.db2.gz XZNUJVXXDUNLOP-SFHVURJKSA-N 2 2 399.539 3.145 20 0 GGADLP C[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000152392870 1422091356 /nfs/dbraw/zinc/09/13/56/1422091356.db2.gz XLLMREOIVCBLJS-WIYYLYMNSA-N 2 2 395.551 3.313 20 0 GGADLP C[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000152392870 1422091357 /nfs/dbraw/zinc/09/13/57/1422091357.db2.gz XLLMREOIVCBLJS-WIYYLYMNSA-N 2 2 395.551 3.313 20 0 GGADLP CCOC(=O)N1CCC([NH2+]CC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)CC1 ZINC000152460775 1422110090 /nfs/dbraw/zinc/11/00/90/1422110090.db2.gz NPOPELCIWDOGPM-SFHVURJKSA-N 2 2 389.540 3.097 20 0 GGADLP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)o2)cc1 ZINC000152654848 1422192067 /nfs/dbraw/zinc/19/20/67/1422192067.db2.gz KPFZMZCPPPNFGT-QGZVFWFLSA-N 2 2 398.503 3.324 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000152706051 1422217178 /nfs/dbraw/zinc/21/71/78/1422217178.db2.gz LISMQJZFGRZVCY-FCGDIQPGSA-N 2 2 375.561 3.232 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000152706051 1422217180 /nfs/dbraw/zinc/21/71/80/1422217180.db2.gz LISMQJZFGRZVCY-FCGDIQPGSA-N 2 2 375.561 3.232 20 0 GGADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152741940 1422232522 /nfs/dbraw/zinc/23/25/22/1422232522.db2.gz MYIYJRWMPZPHOE-COPCDDAFSA-N 2 2 393.535 3.428 20 0 GGADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000152741940 1422232529 /nfs/dbraw/zinc/23/25/29/1422232529.db2.gz MYIYJRWMPZPHOE-COPCDDAFSA-N 2 2 393.535 3.428 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000152878973 1422280118 /nfs/dbraw/zinc/28/01/18/1422280118.db2.gz JLCJZEKDBOCKAI-RXVVDRJESA-N 2 2 391.519 3.147 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000152878973 1422280129 /nfs/dbraw/zinc/28/01/29/1422280129.db2.gz JLCJZEKDBOCKAI-RXVVDRJESA-N 2 2 391.519 3.147 20 0 GGADLP C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000153231572 1422406673 /nfs/dbraw/zinc/40/66/73/1422406673.db2.gz OABMKDXXIIBLBH-BVSLBCMMSA-N 2 2 395.551 3.040 20 0 GGADLP C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000153231572 1422406680 /nfs/dbraw/zinc/40/66/80/1422406680.db2.gz OABMKDXXIIBLBH-BVSLBCMMSA-N 2 2 395.551 3.040 20 0 GGADLP COc1cc(CN2CC[C@@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000153379790 1422505484 /nfs/dbraw/zinc/50/54/84/1422505484.db2.gz LXXLNQJKKGGDAZ-HXUWFJFHSA-N 2 2 392.503 3.254 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000153600835 1422640750 /nfs/dbraw/zinc/64/07/50/1422640750.db2.gz JXVDCACGOHWKSA-HLAWJBBLSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1n1cc[nH+]c1 ZINC000153600835 1422640756 /nfs/dbraw/zinc/64/07/56/1422640756.db2.gz JXVDCACGOHWKSA-HLAWJBBLSA-N 2 2 381.524 3.140 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153647503 1422676253 /nfs/dbraw/zinc/67/62/53/1422676253.db2.gz TVHOQKXHLQLHRE-SFTDATJTSA-N 2 2 382.508 3.327 20 0 GGADLP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000153659304 1422685892 /nfs/dbraw/zinc/68/58/92/1422685892.db2.gz LFUHQGROYCACCH-LPHOPBHVSA-N 2 2 394.441 3.090 20 0 GGADLP C[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000153659304 1422685920 /nfs/dbraw/zinc/68/59/20/1422685920.db2.gz LFUHQGROYCACCH-LPHOPBHVSA-N 2 2 394.441 3.090 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)c(OC)c1 ZINC000153687587 1422703599 /nfs/dbraw/zinc/70/35/99/1422703599.db2.gz REAFJZXMCYMHBZ-HOTGVXAUSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)c(OC)c1 ZINC000153687587 1422703602 /nfs/dbraw/zinc/70/36/02/1422703602.db2.gz REAFJZXMCYMHBZ-HOTGVXAUSA-N 2 2 375.513 3.027 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000153714564 1422717542 /nfs/dbraw/zinc/71/75/42/1422717542.db2.gz RUOVYUBIGGFPIA-OAQYLSRUSA-N 2 2 382.508 3.286 20 0 GGADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1([NH+]2CCSCC2)CCCC1 ZINC000153804716 1422767542 /nfs/dbraw/zinc/76/75/42/1422767542.db2.gz LZLSTAUZBZZQNS-HNNXBMFYSA-N 2 2 396.988 3.403 20 0 GGADLP CC[C@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000153835832 1422789162 /nfs/dbraw/zinc/78/91/62/1422789162.db2.gz JGTANTFLKGSKQA-IRLDBZIGSA-N 2 2 394.519 3.081 20 0 GGADLP CC[C@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000153835832 1422789190 /nfs/dbraw/zinc/78/91/90/1422789190.db2.gz JGTANTFLKGSKQA-IRLDBZIGSA-N 2 2 394.519 3.081 20 0 GGADLP CC[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000153836037 1422790018 /nfs/dbraw/zinc/79/00/18/1422790018.db2.gz JGTANTFLKGSKQA-IFMALSPDSA-N 2 2 394.519 3.081 20 0 GGADLP CC[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000153836037 1422790027 /nfs/dbraw/zinc/79/00/27/1422790027.db2.gz JGTANTFLKGSKQA-IFMALSPDSA-N 2 2 394.519 3.081 20 0 GGADLP C[N@@H+]1CCC[C@H]1CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000153872407 1422802820 /nfs/dbraw/zinc/80/28/20/1422802820.db2.gz FSLJXQLVTXMSKL-IBGZPJMESA-N 2 2 385.581 3.499 20 0 GGADLP C[N@H+]1CCC[C@H]1CCSc1nnc(C[NH+]2CCCC2)n1Cc1ccccc1 ZINC000153872407 1422802821 /nfs/dbraw/zinc/80/28/21/1422802821.db2.gz FSLJXQLVTXMSKL-IBGZPJMESA-N 2 2 385.581 3.499 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccsc1 ZINC000153934433 1422813377 /nfs/dbraw/zinc/81/33/77/1422813377.db2.gz JZPMCAIOTLJYMN-RBUKOAKNSA-N 2 2 388.537 3.389 20 0 GGADLP C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154114881 1422842471 /nfs/dbraw/zinc/84/24/71/1422842471.db2.gz KFITXNBDHSZSJF-BPUDTRNYSA-N 2 2 390.531 3.406 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1 ZINC000154223061 1422857860 /nfs/dbraw/zinc/85/78/60/1422857860.db2.gz FXJJCNFGJRFMRJ-NRFANRHFSA-N 2 2 382.508 3.286 20 0 GGADLP C[C@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000154242172 1422860732 /nfs/dbraw/zinc/86/07/32/1422860732.db2.gz POWDEXLQQLLEJA-STRKUORWSA-N 2 2 379.508 3.036 20 0 GGADLP C[C@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000154242172 1422860734 /nfs/dbraw/zinc/86/07/34/1422860734.db2.gz POWDEXLQQLLEJA-STRKUORWSA-N 2 2 379.508 3.036 20 0 GGADLP CC(C)[NH2+]C1CC[NH+](Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000179831748 1429600725 /nfs/dbraw/zinc/60/07/25/1429600725.db2.gz IAXIDTUHSCLMLP-UHFFFAOYSA-N 2 2 384.524 3.211 20 0 GGADLP Cc1ccc2c(C[NH+]3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)cc(=O)oc2c1C ZINC000154546187 1422918039 /nfs/dbraw/zinc/91/80/39/1422918039.db2.gz BKICXOMTFOKUGO-KDURUIRLSA-N 2 2 397.563 3.400 20 0 GGADLP Cc1ccc2c(C[NH+]3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)cc(=O)oc2c1C ZINC000154546187 1422918046 /nfs/dbraw/zinc/91/80/46/1422918046.db2.gz BKICXOMTFOKUGO-KDURUIRLSA-N 2 2 397.563 3.400 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)CCCn1cc[nH+]c1 ZINC000154631189 1422972758 /nfs/dbraw/zinc/97/27/58/1422972758.db2.gz QXCBLHJKCLXECB-RTBURBONSA-N 2 2 383.540 3.071 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154728305 1423013380 /nfs/dbraw/zinc/01/33/80/1423013380.db2.gz XUEJZMVUGSWQGP-LEWJYISDSA-N 2 2 383.580 3.404 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154728305 1423013390 /nfs/dbraw/zinc/01/33/90/1423013390.db2.gz XUEJZMVUGSWQGP-LEWJYISDSA-N 2 2 383.580 3.404 20 0 GGADLP COc1cccc([C@H](CNC2CC[NH+](Cc3cccnc3)CC2)[NH+]2CCCC2)c1 ZINC000154872783 1423062083 /nfs/dbraw/zinc/06/20/83/1423062083.db2.gz GJHCIKVDKISCIW-DEOSSOPVSA-N 2 2 394.563 3.481 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000155000153 1423105761 /nfs/dbraw/zinc/10/57/61/1423105761.db2.gz GLAGSJALGVLPJH-YJBOKZPZSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000155000153 1423105771 /nfs/dbraw/zinc/10/57/71/1423105771.db2.gz GLAGSJALGVLPJH-YJBOKZPZSA-N 2 2 394.441 3.418 20 0 GGADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000155134878 1423189952 /nfs/dbraw/zinc/18/99/52/1423189952.db2.gz FFPILNJPYLNJRS-CVEARBPZSA-N 2 2 384.505 3.192 20 0 GGADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(C4CCCC4)no3)CC2)C[C@H](C)O1 ZINC000155161055 1423203794 /nfs/dbraw/zinc/20/37/94/1423203794.db2.gz HEEGKWKEHDIWIM-IRXDYDNUSA-N 2 2 376.545 3.439 20 0 GGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC ZINC000155289227 1423302497 /nfs/dbraw/zinc/30/24/97/1423302497.db2.gz PWCSPPHOQMLKRP-ZWKOTPCHSA-N 2 2 381.948 3.332 20 0 GGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC ZINC000155289227 1423302508 /nfs/dbraw/zinc/30/25/08/1423302508.db2.gz PWCSPPHOQMLKRP-ZWKOTPCHSA-N 2 2 381.948 3.332 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC ZINC000155289333 1423302593 /nfs/dbraw/zinc/30/25/93/1423302593.db2.gz PWCSPPHOQMLKRP-QZTJIDSGSA-N 2 2 381.948 3.332 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cc(Cl)ccc1OC ZINC000155289333 1423302604 /nfs/dbraw/zinc/30/26/04/1423302604.db2.gz PWCSPPHOQMLKRP-QZTJIDSGSA-N 2 2 381.948 3.332 20 0 GGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155307343 1423310944 /nfs/dbraw/zinc/31/09/44/1423310944.db2.gz QDSKYPYAYHMKSP-MAUKXSAKSA-N 2 2 381.948 3.332 20 0 GGADLP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155307343 1423310956 /nfs/dbraw/zinc/31/09/56/1423310956.db2.gz QDSKYPYAYHMKSP-MAUKXSAKSA-N 2 2 381.948 3.332 20 0 GGADLP COc1ccc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)ccc2c1 ZINC000155357666 1423330522 /nfs/dbraw/zinc/33/05/22/1423330522.db2.gz OSBGMMNMYXJSMY-HTAPYJJXSA-N 2 2 383.536 3.442 20 0 GGADLP COc1ccc2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@@H]3C(=O)N(C)C)ccc2c1 ZINC000155357666 1423330536 /nfs/dbraw/zinc/33/05/36/1423330536.db2.gz OSBGMMNMYXJSMY-HTAPYJJXSA-N 2 2 383.536 3.442 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OC(F)(F)F)c1 ZINC000155363513 1423333057 /nfs/dbraw/zinc/33/30/57/1423333057.db2.gz TZLKWHHTMZFBPV-RHSMWYFYSA-N 2 2 387.446 3.179 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(OC(F)(F)F)c1 ZINC000155363513 1423333072 /nfs/dbraw/zinc/33/30/72/1423333072.db2.gz TZLKWHHTMZFBPV-RHSMWYFYSA-N 2 2 387.446 3.179 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(-c2ccncc2)c1 ZINC000155372265 1423337693 /nfs/dbraw/zinc/33/76/93/1423337693.db2.gz YMSSOPJLQVFDKV-XMSQKQJNSA-N 2 2 380.536 3.342 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(-c2ccncc2)c1 ZINC000155372265 1423337705 /nfs/dbraw/zinc/33/77/05/1423337705.db2.gz YMSSOPJLQVFDKV-XMSQKQJNSA-N 2 2 380.536 3.342 20 0 GGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)C1CC[NH+](C)CC1 ZINC000155705909 1423496770 /nfs/dbraw/zinc/49/67/70/1423496770.db2.gz KTMJDCBVHOPATO-GOSISDBHSA-N 3 2 378.992 3.172 20 0 GGADLP C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000155715152 1423502374 /nfs/dbraw/zinc/50/23/74/1423502374.db2.gz HOTRDHLCLFPUJH-QGZVFWFLSA-N 2 2 390.553 3.235 20 0 GGADLP O[C@H](C[NH2+]Cc1cc(Cl)cc2cccnc21)C[N@@H+]1CCc2ccccc2C1 ZINC000155823742 1423548841 /nfs/dbraw/zinc/54/88/41/1423548841.db2.gz YKBWFKDQQLKZKE-OAQYLSRUSA-N 2 2 381.907 3.397 20 0 GGADLP O[C@H](C[NH2+]Cc1cc(Cl)cc2cccnc21)C[N@H+]1CCc2ccccc2C1 ZINC000155823742 1423548847 /nfs/dbraw/zinc/54/88/47/1423548847.db2.gz YKBWFKDQQLKZKE-OAQYLSRUSA-N 2 2 381.907 3.397 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000155881626 1423575877 /nfs/dbraw/zinc/57/58/77/1423575877.db2.gz RBENYZONJVFBEM-OAQYLSRUSA-N 2 2 395.551 3.134 20 0 GGADLP CC(C)[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156045539 1423647822 /nfs/dbraw/zinc/64/78/22/1423647822.db2.gz OLVUPLAJNSHCAQ-FQEVSTJZSA-N 2 2 396.526 3.329 20 0 GGADLP CC(C)[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156045539 1423647834 /nfs/dbraw/zinc/64/78/34/1423647834.db2.gz OLVUPLAJNSHCAQ-FQEVSTJZSA-N 2 2 396.526 3.329 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCn4cc[nH+]c4C3)cc2)C1 ZINC000156131311 1423686364 /nfs/dbraw/zinc/68/63/64/1423686364.db2.gz JXVNEUAEOYGKKX-DBXWQHBBSA-N 2 2 380.536 3.240 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000156140539 1423689563 /nfs/dbraw/zinc/68/95/63/1423689563.db2.gz HBSLUAPMWLTEDG-GUDVDZBRSA-N 2 2 380.536 3.240 20 0 GGADLP CCC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156149391 1423695157 /nfs/dbraw/zinc/69/51/57/1423695157.db2.gz GSUDAJBIPQYFOY-FQEVSTJZSA-N 2 2 396.526 3.473 20 0 GGADLP CCC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156149391 1423695165 /nfs/dbraw/zinc/69/51/65/1423695165.db2.gz GSUDAJBIPQYFOY-FQEVSTJZSA-N 2 2 396.526 3.473 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)N1CCCC[C@H]1C ZINC000156276489 1423754021 /nfs/dbraw/zinc/75/40/21/1423754021.db2.gz MJYLYNPQFFOWEN-MSOLQXFVSA-N 2 2 375.532 3.212 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@@H+]1C ZINC000179973131 1429669105 /nfs/dbraw/zinc/66/91/05/1429669105.db2.gz CAZRHVTXVSSGGS-FHLIZLRMSA-N 2 2 383.458 3.269 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@H+]1C ZINC000179973131 1429669110 /nfs/dbraw/zinc/66/91/10/1429669110.db2.gz CAZRHVTXVSSGGS-FHLIZLRMSA-N 2 2 383.458 3.269 20 0 GGADLP COc1cc(Cl)c(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1Cl ZINC000156809978 1423868225 /nfs/dbraw/zinc/86/82/25/1423868225.db2.gz QASJAPUHYFPKHY-UHFFFAOYSA-N 2 2 395.334 3.439 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCCOc3ccc4c(c3)CCC4)CC2)CC1 ZINC000157133590 1423933502 /nfs/dbraw/zinc/93/35/02/1423933502.db2.gz AKEBOCGUGIAHFN-UHFFFAOYSA-N 2 2 399.579 3.009 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)CC1 ZINC000157276472 1423972611 /nfs/dbraw/zinc/97/26/11/1423972611.db2.gz VTFKHWADDBQMRX-PGRDOPGGSA-N 2 2 394.519 3.470 20 0 GGADLP O=C(Nc1ccc(-n2cc[nH+]c2)cc1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000157353796 1423993022 /nfs/dbraw/zinc/99/30/22/1423993022.db2.gz SFRYFGOOVVQVTN-UHFFFAOYSA-N 2 2 390.487 3.329 20 0 GGADLP CC(=O)Nc1ccc2c(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000157360873 1423994495 /nfs/dbraw/zinc/99/44/95/1423994495.db2.gz JQKASGZHWGQMPM-IBGZPJMESA-N 2 2 383.492 3.202 20 0 GGADLP CC(=O)Nc1ccc2c(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000157360873 1423994498 /nfs/dbraw/zinc/99/44/98/1423994498.db2.gz JQKASGZHWGQMPM-IBGZPJMESA-N 2 2 383.492 3.202 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000157611534 1424049078 /nfs/dbraw/zinc/04/90/78/1424049078.db2.gz ZJVXHBYMBBYBSR-DZFGPLHGSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000157611534 1424049084 /nfs/dbraw/zinc/04/90/84/1424049084.db2.gz ZJVXHBYMBBYBSR-DZFGPLHGSA-N 2 2 387.572 3.121 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000157656841 1424058558 /nfs/dbraw/zinc/05/85/58/1424058558.db2.gz WREQLWSEVWPTQW-UHFFFAOYSA-N 2 2 388.434 3.075 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000157656841 1424058566 /nfs/dbraw/zinc/05/85/66/1424058566.db2.gz WREQLWSEVWPTQW-UHFFFAOYSA-N 2 2 388.434 3.075 20 0 GGADLP C[C@H](CCn1cccn1)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000157760266 1424081859 /nfs/dbraw/zinc/08/18/59/1424081859.db2.gz YCSVRLGKNHAOCM-GOSISDBHSA-N 2 2 375.948 3.117 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157791116 1424088931 /nfs/dbraw/zinc/08/89/31/1424088931.db2.gz NKVZRPULKBEHJJ-XJKSGUPXSA-N 2 2 385.430 3.376 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157791116 1424088938 /nfs/dbraw/zinc/08/89/38/1424088938.db2.gz NKVZRPULKBEHJJ-XJKSGUPXSA-N 2 2 385.430 3.376 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000157847002 1424103203 /nfs/dbraw/zinc/10/32/03/1424103203.db2.gz YGGZMOWERAQQRK-DZFGPLHGSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000157847002 1424103213 /nfs/dbraw/zinc/10/32/13/1424103213.db2.gz YGGZMOWERAQQRK-DZFGPLHGSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000157847161 1424103245 /nfs/dbraw/zinc/10/32/45/1424103245.db2.gz YGGZMOWERAQQRK-JRGCBEDISA-N 2 2 387.572 3.121 20 0 GGADLP C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000157847161 1424103246 /nfs/dbraw/zinc/10/32/46/1424103246.db2.gz YGGZMOWERAQQRK-JRGCBEDISA-N 2 2 387.572 3.121 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000157847304 1424103326 /nfs/dbraw/zinc/10/33/26/1424103326.db2.gz YGGZMOWERAQQRK-YYWHXJBOSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1cccnc1 ZINC000157847304 1424103329 /nfs/dbraw/zinc/10/33/29/1424103329.db2.gz YGGZMOWERAQQRK-YYWHXJBOSA-N 2 2 387.572 3.121 20 0 GGADLP Cc1nc(-c2cccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)oc1C ZINC000158058714 1424152444 /nfs/dbraw/zinc/15/24/44/1424152444.db2.gz KJCGBPQJLNRMLC-UHFFFAOYSA-N 2 2 399.539 3.448 20 0 GGADLP Cc1nc(-c2cccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)oc1C ZINC000158058714 1424152450 /nfs/dbraw/zinc/15/24/50/1424152450.db2.gz KJCGBPQJLNRMLC-UHFFFAOYSA-N 2 2 399.539 3.448 20 0 GGADLP CC(C)OCc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158073693 1424157916 /nfs/dbraw/zinc/15/79/16/1424157916.db2.gz MQDHBPBJFUIPKI-UHFFFAOYSA-N 2 2 376.545 3.101 20 0 GGADLP CC(C)OCc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158073693 1424157927 /nfs/dbraw/zinc/15/79/27/1424157927.db2.gz MQDHBPBJFUIPKI-UHFFFAOYSA-N 2 2 376.545 3.101 20 0 GGADLP C[C@@H](CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[N@H+](C)Cc1ccccc1 ZINC000158477934 1424268213 /nfs/dbraw/zinc/26/82/13/1424268213.db2.gz MFZUZNGEXGRXNW-RXVVDRJESA-N 2 2 382.508 3.155 20 0 GGADLP C[C@@H](CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000158477934 1424268219 /nfs/dbraw/zinc/26/82/19/1424268219.db2.gz MFZUZNGEXGRXNW-RXVVDRJESA-N 2 2 382.508 3.155 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158485023 1424269727 /nfs/dbraw/zinc/26/97/27/1424269727.db2.gz KZOJJQPKIIWQQR-SFHVURJKSA-N 3 2 390.535 3.178 20 0 GGADLP Cc1nccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158485023 1424269737 /nfs/dbraw/zinc/26/97/37/1424269737.db2.gz KZOJJQPKIIWQQR-SFHVURJKSA-N 2 2 390.535 3.178 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@@H]21 ZINC000158616516 1424302649 /nfs/dbraw/zinc/30/26/49/1424302649.db2.gz NRKOLQNYQBQTSG-AYOQOUSVSA-N 2 2 393.478 3.200 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@@H]21 ZINC000158616516 1424302663 /nfs/dbraw/zinc/30/26/63/1424302663.db2.gz NRKOLQNYQBQTSG-AYOQOUSVSA-N 2 2 393.478 3.200 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@@H]21 ZINC000158616516 1424302674 /nfs/dbraw/zinc/30/26/74/1424302674.db2.gz NRKOLQNYQBQTSG-AYOQOUSVSA-N 2 2 393.478 3.200 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@@H]21 ZINC000158616516 1424302678 /nfs/dbraw/zinc/30/26/78/1424302678.db2.gz NRKOLQNYQBQTSG-AYOQOUSVSA-N 2 2 393.478 3.200 20 0 GGADLP Cc1cccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158619505 1424303103 /nfs/dbraw/zinc/30/31/03/1424303103.db2.gz RBZVHNRSEZGUBP-FGZHOGPDSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1cccc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158619505 1424303108 /nfs/dbraw/zinc/30/31/08/1424303108.db2.gz RBZVHNRSEZGUBP-FGZHOGPDSA-N 2 2 386.584 3.474 20 0 GGADLP CCCC[NH+]1CCC(NC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000158624645 1424304073 /nfs/dbraw/zinc/30/40/73/1424304073.db2.gz SYDHRKSVDIGKJY-UHFFFAOYSA-N 2 2 383.540 3.038 20 0 GGADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180057916 1429717762 /nfs/dbraw/zinc/71/77/62/1429717762.db2.gz PITFAZDAXARTSB-OAHLLOKOSA-N 2 2 398.942 3.224 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC[C@@H]21 ZINC000158735803 1424331145 /nfs/dbraw/zinc/33/11/45/1424331145.db2.gz UYFHXIPIXYZJDT-UNMCSNQZSA-N 2 2 381.520 3.225 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC[C@@H]21 ZINC000158735803 1424331154 /nfs/dbraw/zinc/33/11/54/1424331154.db2.gz UYFHXIPIXYZJDT-UNMCSNQZSA-N 2 2 381.520 3.225 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC[C@@H]21 ZINC000158735803 1424331162 /nfs/dbraw/zinc/33/11/62/1424331162.db2.gz UYFHXIPIXYZJDT-UNMCSNQZSA-N 2 2 381.520 3.225 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccco3)Cc3ccccc3)CC[C@@H]21 ZINC000158735803 1424331169 /nfs/dbraw/zinc/33/11/69/1424331169.db2.gz UYFHXIPIXYZJDT-UNMCSNQZSA-N 2 2 381.520 3.225 20 0 GGADLP O=C(Nc1ccccc1-n1cc[nH+]c1)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000158928271 1424374550 /nfs/dbraw/zinc/37/45/50/1424374550.db2.gz XUYOSLUWDQEHJE-UHFFFAOYSA-N 2 2 390.487 3.329 20 0 GGADLP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000159076717 1424412184 /nfs/dbraw/zinc/41/21/84/1424412184.db2.gz BIBTUXOIWUJOON-QGZVFWFLSA-N 2 2 395.975 3.328 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000159145674 1424428567 /nfs/dbraw/zinc/42/85/67/1424428567.db2.gz IMYRPXAHKKCDAM-HXUWFJFHSA-N 2 2 393.491 3.387 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+](Cn2c(=O)sc3c2CC[C@@H](C)C3)CC1 ZINC000159870516 1424545917 /nfs/dbraw/zinc/54/59/17/1424545917.db2.gz FQMYQDQJVGZOHB-QGZVFWFLSA-N 2 2 395.613 3.063 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+](Cn2c(=O)sc3c2CC[C@@H](C)C3)CC1 ZINC000159870516 1424545936 /nfs/dbraw/zinc/54/59/36/1424545936.db2.gz FQMYQDQJVGZOHB-QGZVFWFLSA-N 2 2 395.613 3.063 20 0 GGADLP Clc1cccc(N2CC[NH+](CCC[NH2+]C3CCC4(CC3)OCCO4)CC2)c1 ZINC000161442942 1424690412 /nfs/dbraw/zinc/69/04/12/1424690412.db2.gz LTHWLXWDXWRPNO-UHFFFAOYSA-N 2 2 393.959 3.127 20 0 GGADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCn2cc[nH+]c2C1 ZINC000161539500 1424703532 /nfs/dbraw/zinc/70/35/32/1424703532.db2.gz CTCAIIVEUICBDA-QFIPXVFZSA-N 2 2 394.563 3.297 20 0 GGADLP COC(C)(C)C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000161687003 1424740728 /nfs/dbraw/zinc/74/07/28/1424740728.db2.gz SUJOISHYFNQGEF-IHPCNDPISA-N 2 2 396.620 3.169 20 0 GGADLP COC(C)(C)C[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000161687003 1424740733 /nfs/dbraw/zinc/74/07/33/1424740733.db2.gz SUJOISHYFNQGEF-IHPCNDPISA-N 2 2 396.620 3.169 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c(F)c1 ZINC000162008872 1424808122 /nfs/dbraw/zinc/80/81/22/1424808122.db2.gz IWXYCXKKDGSBKP-QGZVFWFLSA-N 2 2 388.483 3.396 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1F ZINC000162019161 1424809264 /nfs/dbraw/zinc/80/92/64/1424809264.db2.gz FMTVKQZEQBKSCN-QGZVFWFLSA-N 2 2 388.483 3.396 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)OCCO2 ZINC000162030602 1424810434 /nfs/dbraw/zinc/81/04/34/1424810434.db2.gz GHHYCNFGDVTZBZ-GOSISDBHSA-N 2 2 398.503 3.020 20 0 GGADLP Cc1ccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C)c(N(C)C)[nH+]1 ZINC000162234407 1424829367 /nfs/dbraw/zinc/82/93/67/1424829367.db2.gz MBUSDYSEEYZAAP-UHFFFAOYSA-N 2 2 382.512 3.160 20 0 GGADLP Cc1ccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c(N(C)C)[nH+]1 ZINC000162242942 1424830128 /nfs/dbraw/zinc/83/01/28/1424830128.db2.gz KZIZGFZHLVJEMN-UHFFFAOYSA-N 2 2 396.539 3.022 20 0 GGADLP C[NH+](C)CCOc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000162551236 1424865089 /nfs/dbraw/zinc/86/50/89/1424865089.db2.gz XCXGREHVURQNDY-UHFFFAOYSA-N 3 2 381.564 3.424 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1 ZINC000163054967 1424932261 /nfs/dbraw/zinc/93/22/61/1424932261.db2.gz JNBCMCYRMVRQSF-FQEVSTJZSA-N 2 2 381.524 3.002 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000163106935 1424941805 /nfs/dbraw/zinc/94/18/05/1424941805.db2.gz OORVGJBBMKUDLT-VQTJNVASSA-N 2 2 381.524 3.043 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000163160562 1424951469 /nfs/dbraw/zinc/95/14/69/1424951469.db2.gz PORQKLVJMNNHPW-INIZCTEOSA-N 2 2 384.490 3.195 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)cn2c1 ZINC000163434563 1424997507 /nfs/dbraw/zinc/99/75/07/1424997507.db2.gz LPIAJIXWPVOOQG-GOSISDBHSA-N 2 2 388.581 3.360 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)cn2c1 ZINC000163434563 1424997523 /nfs/dbraw/zinc/99/75/23/1424997523.db2.gz LPIAJIXWPVOOQG-GOSISDBHSA-N 2 2 388.581 3.360 20 0 GGADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000163576052 1425019966 /nfs/dbraw/zinc/01/99/66/1425019966.db2.gz VMJHGUNYDQYOND-YLJYHZDGSA-N 2 2 387.549 3.346 20 0 GGADLP COc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000163575957 1425020102 /nfs/dbraw/zinc/02/01/02/1425020102.db2.gz VMJHGUNYDQYOND-FXAWDEMLSA-N 2 2 387.549 3.346 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccsc1 ZINC000163667631 1425031726 /nfs/dbraw/zinc/03/17/26/1425031726.db2.gz NNNKZRCPVXQLOD-ROUUACIJSA-N 2 2 387.553 3.104 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000163684165 1425033903 /nfs/dbraw/zinc/03/39/03/1425033903.db2.gz DHKAJTGBBKPZQP-GOSISDBHSA-N 2 2 395.503 3.326 20 0 GGADLP COCCOc1ccc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000163706672 1425036421 /nfs/dbraw/zinc/03/64/21/1425036421.db2.gz KTCQKZZYXROTFO-LJQANCHMSA-N 2 2 384.520 3.395 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000163707291 1425037118 /nfs/dbraw/zinc/03/71/18/1425037118.db2.gz CJQBKWRJMGRQOO-HXUWFJFHSA-N 3 2 397.563 3.310 20 0 GGADLP [NH3+][C@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000163992585 1425065736 /nfs/dbraw/zinc/06/57/36/1425065736.db2.gz GPHONIYWXBOPQP-IBGZPJMESA-N 2 2 391.437 3.440 20 0 GGADLP [NH3+][C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000163992585 1425065747 /nfs/dbraw/zinc/06/57/47/1425065747.db2.gz GPHONIYWXBOPQP-IBGZPJMESA-N 2 2 391.437 3.440 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)[NH+]1CCCCC1 ZINC000164876102 1425147877 /nfs/dbraw/zinc/14/78/77/1425147877.db2.gz RWRZMACMQXPAFQ-JTHBVZDNSA-N 2 2 393.531 3.225 20 0 GGADLP CN(C)C(=O)c1cccc(CC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000165138866 1425166609 /nfs/dbraw/zinc/16/66/09/1425166609.db2.gz XWGKEQMIAJQCRD-UHFFFAOYSA-N 2 2 394.563 3.256 20 0 GGADLP [NH3+]Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)o1 ZINC000165147517 1425167288 /nfs/dbraw/zinc/16/72/88/1425167288.db2.gz UWHPJHGAVFBDDZ-SFHVURJKSA-N 2 2 381.501 3.329 20 0 GGADLP [NH3+]Cc1ccc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)o1 ZINC000165147517 1425167303 /nfs/dbraw/zinc/16/73/03/1425167303.db2.gz UWHPJHGAVFBDDZ-SFHVURJKSA-N 2 2 381.501 3.329 20 0 GGADLP Cc1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)n1 ZINC000165543632 1425184149 /nfs/dbraw/zinc/18/41/49/1425184149.db2.gz UMOGAUBAGXQLIN-IRXDYDNUSA-N 2 2 379.574 3.252 20 0 GGADLP Cc1csc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)n1 ZINC000165543632 1425184159 /nfs/dbraw/zinc/18/41/59/1425184159.db2.gz UMOGAUBAGXQLIN-IRXDYDNUSA-N 2 2 379.574 3.252 20 0 GGADLP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165546024 1425184228 /nfs/dbraw/zinc/18/42/28/1425184228.db2.gz HMGVHMJGXNUVHP-IRXDYDNUSA-N 2 2 379.574 3.252 20 0 GGADLP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165546024 1425184229 /nfs/dbraw/zinc/18/42/29/1425184229.db2.gz HMGVHMJGXNUVHP-IRXDYDNUSA-N 2 2 379.574 3.252 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000165579781 1425186341 /nfs/dbraw/zinc/18/63/41/1425186341.db2.gz HRFHGQVQMILADD-YJBOKZPZSA-N 3 2 384.490 3.030 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000165579781 1425186343 /nfs/dbraw/zinc/18/63/43/1425186343.db2.gz HRFHGQVQMILADD-YJBOKZPZSA-N 3 2 384.490 3.030 20 0 GGADLP C[C@@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000165596985 1425187390 /nfs/dbraw/zinc/18/73/90/1425187390.db2.gz SHEVDVRMPAJPNZ-QAPCUYQASA-N 2 2 396.501 3.172 20 0 GGADLP C[C@@H]1C[C@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000165596985 1425187392 /nfs/dbraw/zinc/18/73/92/1425187392.db2.gz SHEVDVRMPAJPNZ-QAPCUYQASA-N 2 2 396.501 3.172 20 0 GGADLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1cnccn1 ZINC000165587786 1425187783 /nfs/dbraw/zinc/18/77/83/1425187783.db2.gz VPPWYLUPIAYCAD-CQSZACIVSA-N 2 2 379.430 3.098 20 0 GGADLP Cc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000166187629 1425208433 /nfs/dbraw/zinc/20/84/33/1425208433.db2.gz MOUYFMWBOSLASG-OAQYLSRUSA-N 2 2 380.492 3.058 20 0 GGADLP Cc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000166187744 1425208699 /nfs/dbraw/zinc/20/86/99/1425208699.db2.gz MOUYFMWBOSLASG-NRFANRHFSA-N 2 2 380.492 3.058 20 0 GGADLP CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166674218 1425215487 /nfs/dbraw/zinc/21/54/87/1425215487.db2.gz WOGQYSJIOYMOGW-OAQYLSRUSA-N 2 2 394.544 3.295 20 0 GGADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(C)C ZINC000167072005 1425221859 /nfs/dbraw/zinc/22/18/59/1425221859.db2.gz JJKHAWPVZRRSNM-RBUKOAKNSA-N 2 2 387.634 3.021 20 0 GGADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(C)C ZINC000167072005 1425221865 /nfs/dbraw/zinc/22/18/65/1425221865.db2.gz JJKHAWPVZRRSNM-RBUKOAKNSA-N 2 2 387.634 3.021 20 0 GGADLP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000167655484 1425229849 /nfs/dbraw/zinc/22/98/49/1425229849.db2.gz QYAZIWDPUQSNRO-UGKGYDQZSA-N 2 2 383.536 3.415 20 0 GGADLP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000167655484 1425229858 /nfs/dbraw/zinc/22/98/58/1425229858.db2.gz QYAZIWDPUQSNRO-UGKGYDQZSA-N 2 2 383.536 3.415 20 0 GGADLP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168280261 1425237045 /nfs/dbraw/zinc/23/70/45/1425237045.db2.gz HUFPJGLCRLDZRM-AWEZNQCLSA-N 2 2 387.446 3.123 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168267030 1425237064 /nfs/dbraw/zinc/23/70/64/1425237064.db2.gz HPNRRWADDUWBQK-AWEZNQCLSA-N 2 2 387.446 3.123 20 0 GGADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2)cc1 ZINC000168948076 1425240407 /nfs/dbraw/zinc/24/04/07/1425240407.db2.gz MXCYGJLQYMIXCL-NRFANRHFSA-N 2 2 381.564 3.394 20 0 GGADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2cccs2)cc1 ZINC000168897631 1425240896 /nfs/dbraw/zinc/24/08/96/1425240896.db2.gz IVZNSHYGQYZOCB-IBGZPJMESA-N 2 2 387.593 3.456 20 0 GGADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2ccccc2)cc1 ZINC000168948177 1425241159 /nfs/dbraw/zinc/24/11/59/1425241159.db2.gz MXCYGJLQYMIXCL-OAQYLSRUSA-N 2 2 381.564 3.394 20 0 GGADLP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](c3cccs3)[NH+](C)C)CC2)cs1 ZINC000170693245 1425303190 /nfs/dbraw/zinc/30/31/90/1425303190.db2.gz QGMWVZLLDKNLLE-QGZVFWFLSA-N 2 2 392.594 3.144 20 0 GGADLP C[NH+](C)CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000170765040 1425331292 /nfs/dbraw/zinc/33/12/92/1425331292.db2.gz QKGWBPNPJFWIRN-UHFFFAOYSA-N 2 2 386.927 3.162 20 0 GGADLP CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170814237 1425351887 /nfs/dbraw/zinc/35/18/87/1425351887.db2.gz RHFYQRKYZCZYPF-NQIIRXRSSA-N 2 2 378.605 3.449 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000171305652 1425606110 /nfs/dbraw/zinc/60/61/10/1425606110.db2.gz GMXFMMSFNHWRNP-KSZLIROESA-N 2 2 391.531 3.282 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000171305652 1425606120 /nfs/dbraw/zinc/60/61/20/1425606120.db2.gz GMXFMMSFNHWRNP-KSZLIROESA-N 2 2 391.531 3.282 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646377 1425771214 /nfs/dbraw/zinc/77/12/14/1425771214.db2.gz JUCUOWUARUBIPF-DXMDBGQQSA-N 2 2 382.552 3.289 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000171646377 1425771218 /nfs/dbraw/zinc/77/12/18/1425771218.db2.gz JUCUOWUARUBIPF-DXMDBGQQSA-N 2 2 382.552 3.289 20 0 GGADLP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171650738 1425773772 /nfs/dbraw/zinc/77/37/72/1425773772.db2.gz VUZSXAUGMNHYLM-GOSISDBHSA-N 2 2 394.519 3.112 20 0 GGADLP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000171650738 1425773779 /nfs/dbraw/zinc/77/37/79/1425773779.db2.gz VUZSXAUGMNHYLM-GOSISDBHSA-N 2 2 394.519 3.112 20 0 GGADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2csc(C3CCCCC3)n2)CC1 ZINC000171656743 1425777796 /nfs/dbraw/zinc/77/77/96/1425777796.db2.gz MAIMAKPEHYKJLK-UHFFFAOYSA-N 2 2 378.586 3.081 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000171662286 1425780084 /nfs/dbraw/zinc/78/00/84/1425780084.db2.gz YYGGIBZRSVMKSE-UHFFFAOYSA-N 2 2 395.551 3.485 20 0 GGADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000171672033 1425784490 /nfs/dbraw/zinc/78/44/90/1425784490.db2.gz MBYXBHDYRJTUSQ-GOSISDBHSA-N 2 2 383.540 3.134 20 0 GGADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000171672033 1425784497 /nfs/dbraw/zinc/78/44/97/1425784497.db2.gz MBYXBHDYRJTUSQ-GOSISDBHSA-N 2 2 383.540 3.134 20 0 GGADLP O=C(NCCCn1cc[nH+]c1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000171693440 1425791538 /nfs/dbraw/zinc/79/15/38/1425791538.db2.gz XIAJTZZJTYSZAA-UHFFFAOYSA-N 2 2 389.931 3.138 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000171702226 1425793729 /nfs/dbraw/zinc/79/37/29/1425793729.db2.gz ASSPIGPBMMQQIZ-MOVYNIQHSA-N 2 2 384.568 3.147 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000171702226 1425793731 /nfs/dbraw/zinc/79/37/31/1425793731.db2.gz ASSPIGPBMMQQIZ-MOVYNIQHSA-N 2 2 384.568 3.147 20 0 GGADLP OC[C@@H]1CCCN(c2cc(NCC3CC[NH+](Cc4ccccc4)CC3)nc[nH+]2)C1 ZINC000171863945 1425837981 /nfs/dbraw/zinc/83/79/81/1425837981.db2.gz MUWALPCMKHHTBM-OAQYLSRUSA-N 2 2 395.551 3.009 20 0 GGADLP OC[C@@H]1CCCN(c2cc(NCC3CC[NH+](Cc4ccccc4)CC3)[nH+]cn2)C1 ZINC000171863945 1425837982 /nfs/dbraw/zinc/83/79/82/1425837982.db2.gz MUWALPCMKHHTBM-OAQYLSRUSA-N 2 2 395.551 3.009 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000171880592 1425841764 /nfs/dbraw/zinc/84/17/64/1425841764.db2.gz WWRJIUVQTTYBPH-LJQANCHMSA-N 2 2 380.536 3.243 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000171880592 1425841768 /nfs/dbraw/zinc/84/17/68/1425841768.db2.gz WWRJIUVQTTYBPH-LJQANCHMSA-N 2 2 380.536 3.243 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)c1C ZINC000171909238 1425849546 /nfs/dbraw/zinc/84/95/46/1425849546.db2.gz CBYNRXVTCFMGCW-KRWDZBQOSA-N 2 2 384.524 3.369 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1C ZINC000171909238 1425849551 /nfs/dbraw/zinc/84/95/51/1425849551.db2.gz CBYNRXVTCFMGCW-KRWDZBQOSA-N 2 2 384.524 3.369 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000172051173 1425883088 /nfs/dbraw/zinc/88/30/88/1425883088.db2.gz HAQIFPASJMCSBR-RTBURBONSA-N 2 2 398.551 3.322 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000172080884 1425891889 /nfs/dbraw/zinc/89/18/89/1425891889.db2.gz LQGLQRABNQMVBB-YYDVJCTNSA-N 2 2 395.547 3.215 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)cc2)C[C@H](C)O1 ZINC000172080884 1425891892 /nfs/dbraw/zinc/89/18/92/1425891892.db2.gz LQGLQRABNQMVBB-YYDVJCTNSA-N 2 2 395.547 3.215 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N3CC[NH+](C4CCC(C)CC4)CC3)CC2)[nH+]c1 ZINC000172156314 1425924416 /nfs/dbraw/zinc/92/44/16/1425924416.db2.gz HXWLZJXKHIPXAF-UHFFFAOYSA-N 2 2 384.568 3.329 20 0 GGADLP Cc1ccc(NCCCNC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)[nH+]c1 ZINC000172400185 1426026662 /nfs/dbraw/zinc/02/66/62/1426026662.db2.gz WFMILQRLJKLJAL-RTBURBONSA-N 2 2 396.535 3.231 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2nccn2C(F)F)CC1 ZINC000172629563 1426118810 /nfs/dbraw/zinc/11/88/10/1426118810.db2.gz ZOVXWHDTNDFXDQ-AWEZNQCLSA-N 2 2 381.446 3.410 20 0 GGADLP C[C@@H](CCc1ccccc1F)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172929689 1426268433 /nfs/dbraw/zinc/26/84/33/1426268433.db2.gz PEPHPVRJAQICHR-KRWDZBQOSA-N 2 2 375.532 3.069 20 0 GGADLP Cc1nc(-c2cccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2)cs1 ZINC000172929801 1426269207 /nfs/dbraw/zinc/26/92/07/1426269207.db2.gz KXRDKUVPNNZDSI-UHFFFAOYSA-N 2 2 398.576 3.407 20 0 GGADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000173140882 1426362105 /nfs/dbraw/zinc/36/21/05/1426362105.db2.gz VJELLEHXQLVISD-NRFANRHFSA-N 2 2 395.551 3.437 20 0 GGADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000173140882 1426362112 /nfs/dbraw/zinc/36/21/12/1426362112.db2.gz VJELLEHXQLVISD-NRFANRHFSA-N 2 2 395.551 3.437 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1OC(F)F ZINC000173187936 1426383348 /nfs/dbraw/zinc/38/33/48/1426383348.db2.gz SLLIHEXXXGCYIT-UHFFFAOYSA-N 2 2 384.471 3.086 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1OC(F)F ZINC000173187936 1426383354 /nfs/dbraw/zinc/38/33/54/1426383354.db2.gz SLLIHEXXXGCYIT-UHFFFAOYSA-N 2 2 384.471 3.086 20 0 GGADLP CC(C)[NH+](CCNC(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)C(C)C ZINC000173328536 1426510666 /nfs/dbraw/zinc/51/06/66/1426510666.db2.gz CDIVCQJMWCGNRG-UHFFFAOYSA-N 2 2 389.588 3.139 20 0 GGADLP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000173337332 1426518398 /nfs/dbraw/zinc/51/83/98/1426518398.db2.gz OVVCTIXXSYSYTR-LJQANCHMSA-N 2 2 389.559 3.461 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2nccs2)CC1 ZINC000173423283 1426605731 /nfs/dbraw/zinc/60/57/31/1426605731.db2.gz ULJOYGLTDNTAQR-UHFFFAOYSA-N 2 2 386.565 3.057 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000173530642 1426706119 /nfs/dbraw/zinc/70/61/19/1426706119.db2.gz ZPYPOAILNSNZBW-UHFFFAOYSA-N 2 2 387.572 3.206 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000173564863 1426734093 /nfs/dbraw/zinc/73/40/93/1426734093.db2.gz ANVJWLFPZMCPOZ-UHFFFAOYSA-N 2 2 392.519 3.104 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000173564863 1426734095 /nfs/dbraw/zinc/73/40/95/1426734095.db2.gz ANVJWLFPZMCPOZ-UHFFFAOYSA-N 2 2 392.519 3.104 20 0 GGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000173623494 1426801367 /nfs/dbraw/zinc/80/13/67/1426801367.db2.gz DRQQSRWEIUBHAZ-OALUTQOASA-N 2 2 398.551 3.176 20 0 GGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(CCc4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000173623509 1426801449 /nfs/dbraw/zinc/80/14/49/1426801449.db2.gz DRQQSRWEIUBHAZ-RTBURBONSA-N 2 2 398.551 3.176 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@@H+]3CC[C@@H](C[NH+](C)CC)C3)cc(=O)oc2c1 ZINC000173887995 1426881793 /nfs/dbraw/zinc/88/17/93/1426881793.db2.gz RMRRWFSFDVLQCL-HNNXBMFYSA-N 2 2 387.480 3.135 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H](C[NH+](C)CC)C3)cc(=O)oc2c1 ZINC000173887995 1426881794 /nfs/dbraw/zinc/88/17/94/1426881794.db2.gz RMRRWFSFDVLQCL-HNNXBMFYSA-N 2 2 387.480 3.135 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[NH+]3CC[C@@H](C[N@H+](C)CC)C3)cc(=O)oc2c1 ZINC000173887995 1426881797 /nfs/dbraw/zinc/88/17/97/1426881797.db2.gz RMRRWFSFDVLQCL-HNNXBMFYSA-N 2 2 387.480 3.135 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[NH+]3CC[C@@H](C[N@@H+](C)CC)C3)cc(=O)oc2c1 ZINC000173887995 1426881798 /nfs/dbraw/zinc/88/17/98/1426881798.db2.gz RMRRWFSFDVLQCL-HNNXBMFYSA-N 2 2 387.480 3.135 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000173912013 1426889600 /nfs/dbraw/zinc/88/96/00/1426889600.db2.gz UBCMOLGDDUQGOF-AZUAARDMSA-N 2 2 397.563 3.469 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000173912013 1426889604 /nfs/dbraw/zinc/88/96/04/1426889604.db2.gz UBCMOLGDDUQGOF-AZUAARDMSA-N 2 2 397.563 3.469 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000173912013 1426889606 /nfs/dbraw/zinc/88/96/06/1426889606.db2.gz UBCMOLGDDUQGOF-AZUAARDMSA-N 2 2 397.563 3.469 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000173912013 1426889611 /nfs/dbraw/zinc/88/96/11/1426889611.db2.gz UBCMOLGDDUQGOF-AZUAARDMSA-N 2 2 397.563 3.469 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000173917487 1426891506 /nfs/dbraw/zinc/89/15/06/1426891506.db2.gz BIGFTFRVOSDSPO-SFHVURJKSA-N 2 2 380.536 3.057 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000173917487 1426891508 /nfs/dbraw/zinc/89/15/08/1426891508.db2.gz BIGFTFRVOSDSPO-SFHVURJKSA-N 2 2 380.536 3.057 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000173917487 1426891512 /nfs/dbraw/zinc/89/15/12/1426891512.db2.gz BIGFTFRVOSDSPO-SFHVURJKSA-N 2 2 380.536 3.057 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000173917487 1426891514 /nfs/dbraw/zinc/89/15/14/1426891514.db2.gz BIGFTFRVOSDSPO-SFHVURJKSA-N 2 2 380.536 3.057 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000173917502 1426891561 /nfs/dbraw/zinc/89/15/61/1426891561.db2.gz BIGFTFRVOSDSPO-GOSISDBHSA-N 2 2 380.536 3.057 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000173917502 1426891564 /nfs/dbraw/zinc/89/15/64/1426891564.db2.gz BIGFTFRVOSDSPO-GOSISDBHSA-N 2 2 380.536 3.057 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000173917502 1426891567 /nfs/dbraw/zinc/89/15/67/1426891567.db2.gz BIGFTFRVOSDSPO-GOSISDBHSA-N 2 2 380.536 3.057 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000173917502 1426891571 /nfs/dbraw/zinc/89/15/71/1426891571.db2.gz BIGFTFRVOSDSPO-GOSISDBHSA-N 2 2 380.536 3.057 20 0 GGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000173925711 1426895082 /nfs/dbraw/zinc/89/50/82/1426895082.db2.gz SGLMKQLWUKQWJY-RXVVDRJESA-N 2 2 396.510 3.343 20 0 GGADLP C[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000173925711 1426895083 /nfs/dbraw/zinc/89/50/83/1426895083.db2.gz SGLMKQLWUKQWJY-RXVVDRJESA-N 2 2 396.510 3.343 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(F)c1 ZINC000173962596 1426911560 /nfs/dbraw/zinc/91/15/60/1426911560.db2.gz HCNZUPYXKKIGRT-KRWDZBQOSA-N 2 2 377.504 3.038 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961776 1426911765 /nfs/dbraw/zinc/91/17/65/1426911765.db2.gz VCSCNVPDCDRCLT-MRXNPFEDSA-N 2 2 379.932 3.244 20 0 GGADLP CC[N@@H+](Cc1cc(=O)n2cccc(C)c2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972334 1426917567 /nfs/dbraw/zinc/91/75/67/1426917567.db2.gz MCQRQZUQORFERJ-UHFFFAOYSA-N 2 2 391.519 3.136 20 0 GGADLP CC[N@H+](Cc1cc(=O)n2cccc(C)c2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972334 1426917571 /nfs/dbraw/zinc/91/75/71/1426917571.db2.gz MCQRQZUQORFERJ-UHFFFAOYSA-N 2 2 391.519 3.136 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974071 1426918507 /nfs/dbraw/zinc/91/85/07/1426918507.db2.gz UFWXLPYOUYFHDA-ICSRJNTNSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974071 1426918520 /nfs/dbraw/zinc/91/85/20/1426918520.db2.gz UFWXLPYOUYFHDA-ICSRJNTNSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974071 1426918525 /nfs/dbraw/zinc/91/85/25/1426918525.db2.gz UFWXLPYOUYFHDA-ICSRJNTNSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974071 1426918541 /nfs/dbraw/zinc/91/85/41/1426918541.db2.gz UFWXLPYOUYFHDA-ICSRJNTNSA-N 2 2 397.588 3.475 20 0 GGADLP COc1cccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000173977546 1426921597 /nfs/dbraw/zinc/92/15/97/1426921597.db2.gz UOINFBCMCXFHHF-KNQAVFIVSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000173977546 1426921601 /nfs/dbraw/zinc/92/16/01/1426921601.db2.gz UOINFBCMCXFHHF-KNQAVFIVSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000173977546 1426921607 /nfs/dbraw/zinc/92/16/07/1426921607.db2.gz UOINFBCMCXFHHF-KNQAVFIVSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@@H](C)[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000173977546 1426921610 /nfs/dbraw/zinc/92/16/10/1426921610.db2.gz UOINFBCMCXFHHF-KNQAVFIVSA-N 2 2 395.547 3.154 20 0 GGADLP C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978398 1426922424 /nfs/dbraw/zinc/92/24/24/1426922424.db2.gz BHFNRAZLHVUWCP-SFHVURJKSA-N 2 2 396.922 3.302 20 0 GGADLP C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978398 1426922429 /nfs/dbraw/zinc/92/24/29/1426922429.db2.gz BHFNRAZLHVUWCP-SFHVURJKSA-N 2 2 396.922 3.302 20 0 GGADLP C[NH+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173978398 1426922439 /nfs/dbraw/zinc/92/24/39/1426922439.db2.gz BHFNRAZLHVUWCP-SFHVURJKSA-N 2 2 396.922 3.302 20 0 GGADLP C[NH+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173978398 1426922460 /nfs/dbraw/zinc/92/24/60/1426922460.db2.gz BHFNRAZLHVUWCP-SFHVURJKSA-N 2 2 396.922 3.302 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000174115164 1427008685 /nfs/dbraw/zinc/00/86/85/1427008685.db2.gz URIBPKBSASWMMK-LJQANCHMSA-N 2 2 387.572 3.061 20 0 GGADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174185825 1427038392 /nfs/dbraw/zinc/03/83/92/1427038392.db2.gz QXSHGTFQVHPILP-YLJYHZDGSA-N 2 2 381.524 3.497 20 0 GGADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174185825 1427038401 /nfs/dbraw/zinc/03/84/01/1427038401.db2.gz QXSHGTFQVHPILP-YLJYHZDGSA-N 2 2 381.524 3.497 20 0 GGADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174185835 1427038579 /nfs/dbraw/zinc/03/85/79/1427038579.db2.gz QXSHGTFQVHPILP-PXNSSMCTSA-N 2 2 381.524 3.497 20 0 GGADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174185835 1427038586 /nfs/dbraw/zinc/03/85/86/1427038586.db2.gz QXSHGTFQVHPILP-PXNSSMCTSA-N 2 2 381.524 3.497 20 0 GGADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174185853 1427038809 /nfs/dbraw/zinc/03/88/09/1427038809.db2.gz QXSHGTFQVHPILP-XLIONFOSSA-N 2 2 381.524 3.497 20 0 GGADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000174185853 1427038813 /nfs/dbraw/zinc/03/88/13/1427038813.db2.gz QXSHGTFQVHPILP-XLIONFOSSA-N 2 2 381.524 3.497 20 0 GGADLP CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000174192895 1427042708 /nfs/dbraw/zinc/04/27/08/1427042708.db2.gz GGBRSRYQPIFFQT-UHFFFAOYSA-N 2 2 380.536 3.213 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H](C(=O)NC3CC3)c3ccccc3)CC2)cc1 ZINC000174218459 1427056046 /nfs/dbraw/zinc/05/60/46/1427056046.db2.gz SLXUSJOVPSOBGY-QHCPKHFHSA-N 2 2 392.547 3.331 20 0 GGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)c1 ZINC000174238608 1427064808 /nfs/dbraw/zinc/06/48/08/1427064808.db2.gz ZCMGXRPTTFQWQF-UHFFFAOYSA-N 2 2 393.959 3.472 20 0 GGADLP CC(C)[C@@H](C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1)[NH+]1CCCCC1 ZINC000174282752 1427084600 /nfs/dbraw/zinc/08/46/00/1427084600.db2.gz CBRSINQYGZQMPV-QFIPXVFZSA-N 2 2 386.584 3.348 20 0 GGADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000174295758 1427089763 /nfs/dbraw/zinc/08/97/63/1427089763.db2.gz NZSJUQMNLVFZRF-SFHVURJKSA-N 2 2 381.467 3.246 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000174302301 1427092859 /nfs/dbraw/zinc/09/28/59/1427092859.db2.gz SNNDBTDISQAXRD-MSOLQXFVSA-N 2 2 383.536 3.106 20 0 GGADLP COc1ccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174400892 1427140716 /nfs/dbraw/zinc/14/07/16/1427140716.db2.gz HRFNBHFUCBFHRF-QFIPXVFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174400892 1427140722 /nfs/dbraw/zinc/14/07/22/1427140722.db2.gz HRFNBHFUCBFHRF-QFIPXVFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174400892 1427140731 /nfs/dbraw/zinc/14/07/31/1427140731.db2.gz HRFNBHFUCBFHRF-QFIPXVFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174400892 1427140745 /nfs/dbraw/zinc/14/07/45/1427140745.db2.gz HRFNBHFUCBFHRF-QFIPXVFZSA-N 2 2 395.547 3.108 20 0 GGADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](c2ccco2)C1 ZINC000174509306 1427191798 /nfs/dbraw/zinc/19/17/98/1427191798.db2.gz POZZSLFMWABUAK-OALUTQOASA-N 2 2 382.508 3.187 20 0 GGADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H](c2ccco2)C1 ZINC000174509306 1427191802 /nfs/dbraw/zinc/19/18/02/1427191802.db2.gz POZZSLFMWABUAK-OALUTQOASA-N 2 2 382.508 3.187 20 0 GGADLP C[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174654434 1427290551 /nfs/dbraw/zinc/29/05/51/1427290551.db2.gz HUHDAVJFCBNJKT-JOCHJYFZSA-N 2 2 394.519 3.046 20 0 GGADLP C[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174654434 1427290557 /nfs/dbraw/zinc/29/05/57/1427290557.db2.gz HUHDAVJFCBNJKT-JOCHJYFZSA-N 2 2 394.519 3.046 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000174688403 1427310085 /nfs/dbraw/zinc/31/00/85/1427310085.db2.gz IQWNZKWUXLYFQE-UHFFFAOYSA-N 2 2 387.572 3.202 20 0 GGADLP Cc1nc(C[NH+]2CCC(CNC(=O)CCn3cc[nH+]c3C(C)C)CC2)oc1C ZINC000174714914 1427326744 /nfs/dbraw/zinc/32/67/44/1427326744.db2.gz XQXINDPWCLNWLA-UHFFFAOYSA-N 2 2 387.528 3.030 20 0 GGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174723161 1427332155 /nfs/dbraw/zinc/33/21/55/1427332155.db2.gz VKAUYBCUQZGUNQ-QHCPKHFHSA-N 2 2 394.563 3.244 20 0 GGADLP Cc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174723161 1427332162 /nfs/dbraw/zinc/33/21/62/1427332162.db2.gz VKAUYBCUQZGUNQ-QHCPKHFHSA-N 2 2 394.563 3.244 20 0 GGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727517 1427334011 /nfs/dbraw/zinc/33/40/11/1427334011.db2.gz AUOXVSFLUSHVTR-OAHLLOKOSA-N 2 2 377.920 3.020 20 0 GGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727517 1427334014 /nfs/dbraw/zinc/33/40/14/1427334014.db2.gz AUOXVSFLUSHVTR-OAHLLOKOSA-N 2 2 377.920 3.020 20 0 GGADLP C[N@H+](CCN1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000174780229 1427362575 /nfs/dbraw/zinc/36/25/75/1427362575.db2.gz WMKKQKMGSKQECT-QFIPXVFZSA-N 2 2 387.955 3.123 20 0 GGADLP C[N@@H+](CCN1CC[NH+](C[C@H](O)c2cccc(Cl)c2)CC1)Cc1ccccc1 ZINC000174780229 1427362581 /nfs/dbraw/zinc/36/25/81/1427362581.db2.gz WMKKQKMGSKQECT-QFIPXVFZSA-N 2 2 387.955 3.123 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000174848392 1427404750 /nfs/dbraw/zinc/40/47/50/1427404750.db2.gz WDGKCLZMWXGOCK-UHFFFAOYSA-N 2 2 388.556 3.498 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000174848392 1427404754 /nfs/dbraw/zinc/40/47/54/1427404754.db2.gz WDGKCLZMWXGOCK-UHFFFAOYSA-N 2 2 388.556 3.498 20 0 GGADLP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000175212626 1427604114 /nfs/dbraw/zinc/60/41/14/1427604114.db2.gz AXWDNDBBCYFFGM-NSHGMRRFSA-N 2 2 388.556 3.244 20 0 GGADLP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000175212626 1427604120 /nfs/dbraw/zinc/60/41/20/1427604120.db2.gz AXWDNDBBCYFFGM-NSHGMRRFSA-N 2 2 388.556 3.244 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ncc(C(C)(C)C)o3)CC2)CC1 ZINC000175218117 1427609317 /nfs/dbraw/zinc/60/93/17/1427609317.db2.gz FGPUDOJBBGBCMQ-KRWDZBQOSA-N 2 2 390.572 3.299 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000175393263 1427728933 /nfs/dbraw/zinc/72/89/33/1427728933.db2.gz CKHIZAVAZJWEEC-UYAOXDASSA-N 2 2 381.524 3.236 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000175393263 1427728942 /nfs/dbraw/zinc/72/89/42/1427728942.db2.gz CKHIZAVAZJWEEC-UYAOXDASSA-N 2 2 381.524 3.236 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)NCCCCn3cc[nH+]c3C)CC2)c1 ZINC000175462779 1427768489 /nfs/dbraw/zinc/76/84/89/1427768489.db2.gz XTEMQEMOIGZQFE-SFHVURJKSA-N 2 2 399.539 3.069 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCSC4(CCCCC4)C3)CC2)CC1 ZINC000175470252 1427772351 /nfs/dbraw/zinc/77/23/51/1427772351.db2.gz XEAZFAKBAOQDRB-UHFFFAOYSA-N 2 2 394.629 3.006 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000175480564 1427777865 /nfs/dbraw/zinc/77/78/65/1427777865.db2.gz HNTISHGLWIZZAY-IBGZPJMESA-N 2 2 387.572 3.061 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000175480564 1427777872 /nfs/dbraw/zinc/77/78/72/1427777872.db2.gz HNTISHGLWIZZAY-IBGZPJMESA-N 2 2 387.572 3.061 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175628974 1427837986 /nfs/dbraw/zinc/83/79/86/1427837986.db2.gz DPNPVSOBEJLXGI-QUCCMNQESA-N 2 2 381.524 3.283 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175628974 1427837987 /nfs/dbraw/zinc/83/79/87/1427837987.db2.gz DPNPVSOBEJLXGI-QUCCMNQESA-N 2 2 381.524 3.283 20 0 GGADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000175785778 1427891815 /nfs/dbraw/zinc/89/18/15/1427891815.db2.gz VMDGIYVEAQIRHW-UHFFFAOYSA-N 2 2 384.524 3.046 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000175900173 1427959786 /nfs/dbraw/zinc/95/97/86/1427959786.db2.gz ASAHDTGACUFIHA-UHFFFAOYSA-N 2 2 384.459 3.104 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000175932210 1427980737 /nfs/dbraw/zinc/98/07/37/1427980737.db2.gz FCPIWXWSHRAHJB-WOJBJXKFSA-N 2 2 385.483 3.336 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175932210 1427980743 /nfs/dbraw/zinc/98/07/43/1427980743.db2.gz FCPIWXWSHRAHJB-WOJBJXKFSA-N 2 2 385.483 3.336 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000175932163 1427980921 /nfs/dbraw/zinc/98/09/21/1427980921.db2.gz FCPIWXWSHRAHJB-VQTJNVASSA-N 2 2 385.483 3.336 20 0 GGADLP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175932163 1427980927 /nfs/dbraw/zinc/98/09/27/1427980927.db2.gz FCPIWXWSHRAHJB-VQTJNVASSA-N 2 2 385.483 3.336 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c2C1 ZINC000175959621 1427998735 /nfs/dbraw/zinc/99/87/35/1427998735.db2.gz ZXJJNJRBPCJVNP-INIZCTEOSA-N 2 2 382.552 3.319 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c2C1 ZINC000175959621 1427998742 /nfs/dbraw/zinc/99/87/42/1427998742.db2.gz ZXJJNJRBPCJVNP-INIZCTEOSA-N 2 2 382.552 3.319 20 0 GGADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(F)cccc1Cl ZINC000176020727 1428030976 /nfs/dbraw/zinc/03/09/76/1428030976.db2.gz DBGIAEOIECWHQI-AWEZNQCLSA-N 2 2 396.938 3.398 20 0 GGADLP c1ccc([C@@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C2CC2)cc1 ZINC000180174068 1429780639 /nfs/dbraw/zinc/78/06/39/1429780639.db2.gz HTAKMUACJQBHCF-NZQKXSOJSA-N 2 2 393.535 3.023 20 0 GGADLP c1ccc([C@H]([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C2CC2)cc1 ZINC000180174054 1429780930 /nfs/dbraw/zinc/78/09/30/1429780930.db2.gz HTAKMUACJQBHCF-REWPJTCUSA-N 2 2 393.535 3.023 20 0 GGADLP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCCCNc1cccc[nH+]1 ZINC000180367338 1429848048 /nfs/dbraw/zinc/84/80/48/1429848048.db2.gz HKUVIKKFWZFIBX-UHFFFAOYSA-N 2 2 396.539 3.227 20 0 GGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000180731095 1430005442 /nfs/dbraw/zinc/00/54/42/1430005442.db2.gz KNUNDOCINJKVCB-QUCCMNQESA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000180731095 1430005455 /nfs/dbraw/zinc/00/54/55/1430005455.db2.gz KNUNDOCINJKVCB-QUCCMNQESA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000180731095 1430005462 /nfs/dbraw/zinc/00/54/62/1430005462.db2.gz KNUNDOCINJKVCB-QUCCMNQESA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000180731095 1430005470 /nfs/dbraw/zinc/00/54/70/1430005470.db2.gz KNUNDOCINJKVCB-QUCCMNQESA-N 2 2 396.535 3.165 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000180754038 1430019472 /nfs/dbraw/zinc/01/94/72/1430019472.db2.gz WWPHCPGXEMQVHU-XXBNENTESA-N 2 2 392.547 3.204 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000180754038 1430019480 /nfs/dbraw/zinc/01/94/80/1430019480.db2.gz WWPHCPGXEMQVHU-XXBNENTESA-N 2 2 392.547 3.204 20 0 GGADLP CC[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(OC)cc1 ZINC000180772647 1430030890 /nfs/dbraw/zinc/03/08/90/1430030890.db2.gz YWFKTAWXKDYFKQ-FQEVSTJZSA-N 2 2 387.549 3.142 20 0 GGADLP CCC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000180779676 1430034474 /nfs/dbraw/zinc/03/44/74/1430034474.db2.gz LAROYGDHSPPEIT-RTWAWAEBSA-N 2 2 395.551 3.413 20 0 GGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000180779817 1430034577 /nfs/dbraw/zinc/03/45/77/1430034577.db2.gz QFWDUTCHAQBKKY-FPOVZHCZSA-N 2 2 395.551 3.250 20 0 GGADLP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000180779791 1430034712 /nfs/dbraw/zinc/03/47/12/1430034712.db2.gz QFWDUTCHAQBKKY-PZJWPPBQSA-N 2 2 395.551 3.250 20 0 GGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000180782781 1430036626 /nfs/dbraw/zinc/03/66/26/1430036626.db2.gz MLZQWNMQTQMKDU-IRXDYDNUSA-N 2 2 387.553 3.003 20 0 GGADLP CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(C)cc1 ZINC000180783590 1430037219 /nfs/dbraw/zinc/03/72/19/1430037219.db2.gz QRGFIEIPLJSUDM-NHCUHLMSSA-N 2 2 395.551 3.331 20 0 GGADLP C[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H](C)c1ccccc1 ZINC000180784499 1430037328 /nfs/dbraw/zinc/03/73/28/1430037328.db2.gz UAYUIONNTSWDAQ-SVFBPWRDSA-N 2 2 395.551 3.064 20 0 GGADLP O=C(COc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1CC1 ZINC000180784636 1430037369 /nfs/dbraw/zinc/03/73/69/1430037369.db2.gz KEDLOGKCHVPUOL-KNQAVFIVSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCC1CC1 ZINC000180784636 1430037378 /nfs/dbraw/zinc/03/73/78/1430037378.db2.gz KEDLOGKCHVPUOL-KNQAVFIVSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCC1CC1 ZINC000180784636 1430037386 /nfs/dbraw/zinc/03/73/86/1430037386.db2.gz KEDLOGKCHVPUOL-KNQAVFIVSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCC1CC1 ZINC000180784636 1430037397 /nfs/dbraw/zinc/03/73/97/1430037397.db2.gz KEDLOGKCHVPUOL-KNQAVFIVSA-N 2 2 397.563 3.040 20 0 GGADLP CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccc(C)cc1 ZINC000180783570 1430037454 /nfs/dbraw/zinc/03/74/54/1430037454.db2.gz QRGFIEIPLJSUDM-RTWAWAEBSA-N 2 2 395.551 3.331 20 0 GGADLP CCc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1 ZINC000180783507 1430037466 /nfs/dbraw/zinc/03/74/66/1430037466.db2.gz DMUUBDZOSMTGEV-GHTZIAJQSA-N 2 2 395.551 3.195 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180785780 1430038044 /nfs/dbraw/zinc/03/80/44/1430038044.db2.gz BBLBAFRKCSTYML-PBHICJAKSA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180785780 1430038054 /nfs/dbraw/zinc/03/80/54/1430038054.db2.gz BBLBAFRKCSTYML-PBHICJAKSA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180785780 1430038064 /nfs/dbraw/zinc/03/80/64/1430038064.db2.gz BBLBAFRKCSTYML-PBHICJAKSA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180785780 1430038072 /nfs/dbraw/zinc/03/80/72/1430038072.db2.gz BBLBAFRKCSTYML-PBHICJAKSA-N 2 2 386.462 3.118 20 0 GGADLP C[C@@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180806055 1430051229 /nfs/dbraw/zinc/05/12/29/1430051229.db2.gz KTVZMFKSPMNNAU-KRWDZBQOSA-N 2 2 384.549 3.262 20 0 GGADLP C[C@@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180806055 1430051234 /nfs/dbraw/zinc/05/12/34/1430051234.db2.gz KTVZMFKSPMNNAU-KRWDZBQOSA-N 2 2 384.549 3.262 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180862231 1430074620 /nfs/dbraw/zinc/07/46/20/1430074620.db2.gz YXROIHQTFGDIFW-LPHOPBHVSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180862231 1430074628 /nfs/dbraw/zinc/07/46/28/1430074628.db2.gz YXROIHQTFGDIFW-LPHOPBHVSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180862217 1430074668 /nfs/dbraw/zinc/07/46/68/1430074668.db2.gz YXROIHQTFGDIFW-APWZRJJASA-N 2 2 381.499 3.150 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000180862217 1430074671 /nfs/dbraw/zinc/07/46/71/1430074671.db2.gz YXROIHQTFGDIFW-APWZRJJASA-N 2 2 381.499 3.150 20 0 GGADLP CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1F ZINC000180888124 1430091095 /nfs/dbraw/zinc/09/10/95/1430091095.db2.gz KGXACGHPZQCGLQ-PXNSSMCTSA-N 2 2 399.514 3.162 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1csc(CCc2ccccc2)n1 ZINC000180927757 1430119809 /nfs/dbraw/zinc/11/98/09/1430119809.db2.gz TZUWKKAUWZIEBM-UHFFFAOYSA-N 2 2 386.609 3.386 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1csc(CCc2ccccc2)n1 ZINC000180927757 1430119813 /nfs/dbraw/zinc/11/98/13/1430119813.db2.gz TZUWKKAUWZIEBM-UHFFFAOYSA-N 2 2 386.609 3.386 20 0 GGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180937187 1430124250 /nfs/dbraw/zinc/12/42/50/1430124250.db2.gz JHJSUSMGVUGNKD-OAHLLOKOSA-N 2 2 391.947 3.409 20 0 GGADLP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180937187 1430124260 /nfs/dbraw/zinc/12/42/60/1430124260.db2.gz JHJSUSMGVUGNKD-OAHLLOKOSA-N 2 2 391.947 3.409 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000180963586 1430139197 /nfs/dbraw/zinc/13/91/97/1430139197.db2.gz HMCKPFZCPNHUFZ-UHFFFAOYSA-N 2 2 384.446 3.304 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1nc2cc(C(F)(F)F)ccc2o1 ZINC000180963586 1430139200 /nfs/dbraw/zinc/13/92/00/1430139200.db2.gz HMCKPFZCPNHUFZ-UHFFFAOYSA-N 2 2 384.446 3.304 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000181055498 1430189437 /nfs/dbraw/zinc/18/94/37/1430189437.db2.gz NFOKOSIWJZJTQN-QFIPXVFZSA-N 2 2 376.504 3.305 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000181055498 1430189440 /nfs/dbraw/zinc/18/94/40/1430189440.db2.gz NFOKOSIWJZJTQN-QFIPXVFZSA-N 2 2 376.504 3.305 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000181070334 1430197332 /nfs/dbraw/zinc/19/73/32/1430197332.db2.gz LQSSOODGXHKSLD-QGZVFWFLSA-N 2 2 378.423 3.002 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O ZINC000181070334 1430197334 /nfs/dbraw/zinc/19/73/34/1430197334.db2.gz LQSSOODGXHKSLD-QGZVFWFLSA-N 2 2 378.423 3.002 20 0 GGADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181074228 1430198712 /nfs/dbraw/zinc/19/87/12/1430198712.db2.gz MFCVASVFIGTDHP-NRFANRHFSA-N 2 2 384.524 3.358 20 0 GGADLP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+](C)CCCn2cc[nH+]c2)cc1 ZINC000181074228 1430198720 /nfs/dbraw/zinc/19/87/20/1430198720.db2.gz MFCVASVFIGTDHP-NRFANRHFSA-N 2 2 384.524 3.358 20 0 GGADLP Cc1cccc(Cc2cnc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3)s2)c1 ZINC000181100884 1430210401 /nfs/dbraw/zinc/21/04/01/1430210401.db2.gz DFUUPVUUQBZLCG-UHFFFAOYSA-N 2 2 383.521 3.199 20 0 GGADLP Cc1cccc(Cc2cnc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3)s2)c1 ZINC000181100884 1430210408 /nfs/dbraw/zinc/21/04/08/1430210408.db2.gz DFUUPVUUQBZLCG-UHFFFAOYSA-N 2 2 383.521 3.199 20 0 GGADLP Cc1cc2ncc([C@@H](C)[NH2+]Cc3ccccc3C[NH+]3CCOCC3)c(C)n2n1 ZINC000181189813 1430242680 /nfs/dbraw/zinc/24/26/80/1430242680.db2.gz NVPSVNTUFAMSAV-QGZVFWFLSA-N 2 2 379.508 3.029 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000181326754 1430273490 /nfs/dbraw/zinc/27/34/90/1430273490.db2.gz IWEPWFMCNRLJAX-QAPCUYQASA-N 2 2 394.441 3.374 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000181326754 1430273495 /nfs/dbraw/zinc/27/34/95/1430273495.db2.gz IWEPWFMCNRLJAX-QAPCUYQASA-N 2 2 394.441 3.374 20 0 GGADLP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccnc1 ZINC000181358685 1430281390 /nfs/dbraw/zinc/28/13/90/1430281390.db2.gz QMVFTBSYCAVJQZ-OXJNMPFZSA-N 2 2 386.927 3.339 20 0 GGADLP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1c1c(F)cccc1F ZINC000181441537 1430300312 /nfs/dbraw/zinc/30/03/12/1430300312.db2.gz GIQARQSUIVUWJI-GOSISDBHSA-N 2 2 385.458 3.324 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181497284 1430310759 /nfs/dbraw/zinc/31/07/59/1430310759.db2.gz GJQPDMIEGAPJAY-GOSISDBHSA-N 2 2 394.441 3.415 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000181497284 1430310760 /nfs/dbraw/zinc/31/07/60/1430310760.db2.gz GJQPDMIEGAPJAY-GOSISDBHSA-N 2 2 394.441 3.415 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000181524529 1430315066 /nfs/dbraw/zinc/31/50/66/1430315066.db2.gz GGZHSGXYJZAYHB-CQSZACIVSA-N 2 2 388.878 3.248 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000181524529 1430315071 /nfs/dbraw/zinc/31/50/71/1430315071.db2.gz GGZHSGXYJZAYHB-CQSZACIVSA-N 2 2 388.878 3.248 20 0 GGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000181524296 1430315211 /nfs/dbraw/zinc/31/52/11/1430315211.db2.gz QEEVCYYOUZDZSB-OALUTQOASA-N 2 2 381.520 3.239 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000181524509 1430315217 /nfs/dbraw/zinc/31/52/17/1430315217.db2.gz GGZHSGXYJZAYHB-AWEZNQCLSA-N 2 2 388.878 3.248 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)C1 ZINC000181524509 1430315218 /nfs/dbraw/zinc/31/52/18/1430315218.db2.gz GGZHSGXYJZAYHB-AWEZNQCLSA-N 2 2 388.878 3.248 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000181539658 1430317470 /nfs/dbraw/zinc/31/74/70/1430317470.db2.gz ODKXUVXUVSQVPJ-YJBOKZPZSA-N 2 2 394.441 3.374 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000181539658 1430317473 /nfs/dbraw/zinc/31/74/73/1430317473.db2.gz ODKXUVXUVSQVPJ-YJBOKZPZSA-N 2 2 394.441 3.374 20 0 GGADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000181571634 1430321805 /nfs/dbraw/zinc/32/18/05/1430321805.db2.gz BVNMMZGSFRGLED-LJQANCHMSA-N 2 2 376.570 3.039 20 0 GGADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000181571634 1430321808 /nfs/dbraw/zinc/32/18/08/1430321808.db2.gz BVNMMZGSFRGLED-LJQANCHMSA-N 2 2 376.570 3.039 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000181588938 1430324044 /nfs/dbraw/zinc/32/40/44/1430324044.db2.gz QHRSXUPTWQWSJT-DLBZAZTESA-N 2 2 387.549 3.361 20 0 GGADLP COc1cc(NCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1 ZINC000181604000 1430326606 /nfs/dbraw/zinc/32/66/06/1430326606.db2.gz GCHJOPMRJYVNRK-VGSWGCGISA-N 2 2 384.524 3.011 20 0 GGADLP COc1cc(NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc(OC)c1 ZINC000181604000 1430326607 /nfs/dbraw/zinc/32/66/07/1430326607.db2.gz GCHJOPMRJYVNRK-VGSWGCGISA-N 2 2 384.524 3.011 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000181627547 1430330394 /nfs/dbraw/zinc/33/03/94/1430330394.db2.gz XJVOJEQEQLSBMP-CQSZACIVSA-N 2 2 379.911 3.205 20 0 GGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000182002608 1430394856 /nfs/dbraw/zinc/39/48/56/1430394856.db2.gz SXUCIQKYKZGXIX-GOSISDBHSA-N 2 2 397.519 3.207 20 0 GGADLP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182061183 1430403940 /nfs/dbraw/zinc/40/39/40/1430403940.db2.gz NKOQDIFRKKSBSH-UHFFFAOYSA-N 2 2 376.460 3.081 20 0 GGADLP CC(C)Sc1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)[NH+]2CCOCC2)cc1 ZINC000182100719 1430411801 /nfs/dbraw/zinc/41/18/01/1430411801.db2.gz GORLJIYHCGWEFV-KRWDZBQOSA-N 2 2 393.597 3.065 20 0 GGADLP COc1ccc([C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccccn2)[NH+]2CCCCC2)cc1 ZINC000182178001 1430424805 /nfs/dbraw/zinc/42/48/05/1430424805.db2.gz ARBIJNCACBAVJI-PGRDOPGGSA-N 2 2 396.535 3.084 20 0 GGADLP C[C@@H](CCNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000182238176 1430434937 /nfs/dbraw/zinc/43/49/37/1430434937.db2.gz MEWHDFFBTPMBTM-ICSRJNTNSA-N 2 2 375.582 3.157 20 0 GGADLP c1cc([C@H]2CCC[N@H+]2CC2(C[NH+]3CCC[C@H]3c3ccncc3)COC2)ccn1 ZINC000182371402 1430454498 /nfs/dbraw/zinc/45/44/98/1430454498.db2.gz DRCHIQOOXCEAQL-SZPZYZBQSA-N 2 2 378.520 3.467 20 0 GGADLP c1cc([C@H]2CCC[N@@H+]2CC2(C[NH+]3CCC[C@H]3c3ccncc3)COC2)ccn1 ZINC000182371402 1430454502 /nfs/dbraw/zinc/45/45/02/1430454502.db2.gz DRCHIQOOXCEAQL-SZPZYZBQSA-N 2 2 378.520 3.467 20 0 GGADLP c1cc([C@H]2CCC[NH+]2CC2(C[N@@H+]3CCC[C@H]3c3ccncc3)COC2)ccn1 ZINC000182371402 1430454506 /nfs/dbraw/zinc/45/45/06/1430454506.db2.gz DRCHIQOOXCEAQL-SZPZYZBQSA-N 2 2 378.520 3.467 20 0 GGADLP c1cc([C@H]2CCC[NH+]2CC2(C[N@H+]3CCC[C@H]3c3ccncc3)COC2)ccn1 ZINC000182371402 1430454508 /nfs/dbraw/zinc/45/45/08/1430454508.db2.gz DRCHIQOOXCEAQL-SZPZYZBQSA-N 2 2 378.520 3.467 20 0 GGADLP c1cc([C@H]2CCC[NH+]2CC2(C[N@@H+]3CCC[C@@H]3c3ccncc3)COC2)ccn1 ZINC000182371423 1430454547 /nfs/dbraw/zinc/45/45/47/1430454547.db2.gz DRCHIQOOXCEAQL-FGZHOGPDSA-N 2 2 378.520 3.467 20 0 GGADLP c1cc([C@H]2CCC[NH+]2CC2(C[N@H+]3CCC[C@@H]3c3ccncc3)COC2)ccn1 ZINC000182371423 1430454550 /nfs/dbraw/zinc/45/45/50/1430454550.db2.gz DRCHIQOOXCEAQL-FGZHOGPDSA-N 2 2 378.520 3.467 20 0 GGADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182387709 1430457403 /nfs/dbraw/zinc/45/74/03/1430457403.db2.gz PZFLRXQJWJPLBD-IEBWSBKVSA-N 2 2 385.556 3.134 20 0 GGADLP C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182387709 1430457405 /nfs/dbraw/zinc/45/74/05/1430457405.db2.gz PZFLRXQJWJPLBD-IEBWSBKVSA-N 2 2 385.556 3.134 20 0 GGADLP C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182395401 1430459048 /nfs/dbraw/zinc/45/90/48/1430459048.db2.gz XKVJAEIFMBQXDF-RXVVDRJESA-N 2 2 395.551 3.384 20 0 GGADLP C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182395401 1430459051 /nfs/dbraw/zinc/45/90/51/1430459051.db2.gz XKVJAEIFMBQXDF-RXVVDRJESA-N 2 2 395.551 3.384 20 0 GGADLP COC[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182521716 1430482916 /nfs/dbraw/zinc/48/29/16/1430482916.db2.gz ZYUTUIAAPQFYJY-JOCHJYFZSA-N 2 2 389.490 3.190 20 0 GGADLP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)c(F)c1 ZINC000182521716 1430482918 /nfs/dbraw/zinc/48/29/18/1430482918.db2.gz ZYUTUIAAPQFYJY-JOCHJYFZSA-N 2 2 389.490 3.190 20 0 GGADLP C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182558773 1430491656 /nfs/dbraw/zinc/49/16/56/1430491656.db2.gz RNAOTQMKUFDYSH-HKUYNNGSSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182558773 1430491658 /nfs/dbraw/zinc/49/16/58/1430491658.db2.gz RNAOTQMKUFDYSH-HKUYNNGSSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182561183 1430492529 /nfs/dbraw/zinc/49/25/29/1430492529.db2.gz WHCFKBPNIWUQBY-WMZOPIPTSA-N 2 2 399.514 3.464 20 0 GGADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182561183 1430492532 /nfs/dbraw/zinc/49/25/32/1430492532.db2.gz WHCFKBPNIWUQBY-WMZOPIPTSA-N 2 2 399.514 3.464 20 0 GGADLP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2nnc(C(C)C)s2)CC1 ZINC000182789990 1430540169 /nfs/dbraw/zinc/54/01/69/1430540169.db2.gz GNMFYJUYMWYMAF-UHFFFAOYSA-N 2 2 381.590 3.434 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182862246 1430555928 /nfs/dbraw/zinc/55/59/28/1430555928.db2.gz REIHWWJLOSJMLJ-OTWHNJEPSA-N 2 2 387.572 3.037 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182862246 1430555932 /nfs/dbraw/zinc/55/59/32/1430555932.db2.gz REIHWWJLOSJMLJ-OTWHNJEPSA-N 2 2 387.572 3.037 20 0 GGADLP FC(F)(F)c1ccc2nnc([C@@H]3CCC[N@H+](CCCn4cc[nH+]c4)C3)n2c1 ZINC000182870032 1430557805 /nfs/dbraw/zinc/55/78/05/1430557805.db2.gz RCXAJEAWRLSEGV-CQSZACIVSA-N 2 2 378.402 3.214 20 0 GGADLP FC(F)(F)c1ccc2nnc([C@@H]3CCC[N@@H+](CCCn4cc[nH+]c4)C3)n2c1 ZINC000182870032 1430557807 /nfs/dbraw/zinc/55/78/07/1430557807.db2.gz RCXAJEAWRLSEGV-CQSZACIVSA-N 2 2 378.402 3.214 20 0 GGADLP Fc1ccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cc1 ZINC000182958636 1430580754 /nfs/dbraw/zinc/58/07/54/1430580754.db2.gz BKCXAIUAWKHHBK-UHFFFAOYSA-N 2 2 388.487 3.200 20 0 GGADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000182967600 1430582350 /nfs/dbraw/zinc/58/23/50/1430582350.db2.gz BOTDIGDXPGILFT-UHFFFAOYSA-N 2 2 396.457 3.430 20 0 GGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1coc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000182967600 1430582354 /nfs/dbraw/zinc/58/23/54/1430582354.db2.gz BOTDIGDXPGILFT-UHFFFAOYSA-N 2 2 396.457 3.430 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000182967964 1430582509 /nfs/dbraw/zinc/58/25/09/1430582509.db2.gz QOJQKWOCRXFPJC-SFHVURJKSA-N 2 2 391.531 3.286 20 0 GGADLP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182973719 1430583264 /nfs/dbraw/zinc/58/32/64/1430583264.db2.gz PSVAISBRAMPEKF-MRXNPFEDSA-N 2 2 395.494 3.116 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182973705 1430583460 /nfs/dbraw/zinc/58/34/60/1430583460.db2.gz PSVAISBRAMPEKF-INIZCTEOSA-N 2 2 395.494 3.116 20 0 GGADLP c1cc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)n2)cs1 ZINC000182986908 1430585901 /nfs/dbraw/zinc/58/59/01/1430585901.db2.gz HUUHIMIHSOJZLZ-UHFFFAOYSA-N 2 2 376.526 3.123 20 0 GGADLP CCS[C@@H](C)c1noc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000182987878 1430586296 /nfs/dbraw/zinc/58/62/96/1430586296.db2.gz GXJPTBWLVNYFCL-INIZCTEOSA-N 2 2 382.574 3.208 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000183116473 1430618261 /nfs/dbraw/zinc/61/82/61/1430618261.db2.gz RBXDYPJMEVNVFT-LJQANCHMSA-N 2 2 382.556 3.198 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000183116473 1430618270 /nfs/dbraw/zinc/61/82/70/1430618270.db2.gz RBXDYPJMEVNVFT-LJQANCHMSA-N 2 2 382.556 3.198 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)nc[nH+]1 ZINC000183137936 1430626082 /nfs/dbraw/zinc/62/60/82/1430626082.db2.gz GTCXEFIRTLSBNE-FQEVSTJZSA-N 2 2 383.540 3.282 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1 ZINC000183137936 1430626088 /nfs/dbraw/zinc/62/60/88/1430626088.db2.gz GTCXEFIRTLSBNE-FQEVSTJZSA-N 2 2 383.540 3.282 20 0 GGADLP O=C(NC1CC1)c1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccco2)cc1 ZINC000183187486 1430642483 /nfs/dbraw/zinc/64/24/83/1430642483.db2.gz YQSNHQJKLUXDBG-UHFFFAOYSA-N 2 2 378.476 3.461 20 0 GGADLP O=C(NC1CC1)c1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccco2)cc1 ZINC000183187486 1430642485 /nfs/dbraw/zinc/64/24/85/1430642485.db2.gz YQSNHQJKLUXDBG-UHFFFAOYSA-N 2 2 378.476 3.461 20 0 GGADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000183325260 1430679376 /nfs/dbraw/zinc/67/93/76/1430679376.db2.gz QPOFUBOMSSQPTQ-GOSISDBHSA-N 2 2 382.504 3.337 20 0 GGADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000183325260 1430679379 /nfs/dbraw/zinc/67/93/79/1430679379.db2.gz QPOFUBOMSSQPTQ-GOSISDBHSA-N 2 2 382.504 3.337 20 0 GGADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000183325242 1430679537 /nfs/dbraw/zinc/67/95/37/1430679537.db2.gz QPOFUBOMSSQPTQ-SFHVURJKSA-N 2 2 382.504 3.337 20 0 GGADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000183325242 1430679544 /nfs/dbraw/zinc/67/95/44/1430679544.db2.gz QPOFUBOMSSQPTQ-SFHVURJKSA-N 2 2 382.504 3.337 20 0 GGADLP C[N@@H+]1CCO[C@@H]([C@H](NC2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)C1 ZINC000183418786 1430706935 /nfs/dbraw/zinc/70/69/35/1430706935.db2.gz LJZJVDGQZNOJLB-NHCUHLMSSA-N 2 2 377.960 3.176 20 0 GGADLP C[N@H+]1CCO[C@@H]([C@H](NC2CC[NH+](CC3CC3)CC2)c2ccc(Cl)cc2)C1 ZINC000183418786 1430706938 /nfs/dbraw/zinc/70/69/38/1430706938.db2.gz LJZJVDGQZNOJLB-NHCUHLMSSA-N 2 2 377.960 3.176 20 0 GGADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000183422487 1430707817 /nfs/dbraw/zinc/70/78/17/1430707817.db2.gz FIMXAKFELFBVND-HSZRJFAPSA-N 2 2 376.504 3.344 20 0 GGADLP C[C@H](CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000183673239 1430769211 /nfs/dbraw/zinc/76/92/11/1430769211.db2.gz WACVSQSPMCEVEH-GOSISDBHSA-N 2 2 385.512 3.348 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000183729851 1430782387 /nfs/dbraw/zinc/78/23/87/1430782387.db2.gz VJGADMIUEMFKHP-WBVHZDCISA-N 2 2 386.565 3.322 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000183735565 1430783865 /nfs/dbraw/zinc/78/38/65/1430783865.db2.gz RNPIPXAITBCVMI-UTKZUKDTSA-N 2 2 380.492 3.038 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000183735565 1430783868 /nfs/dbraw/zinc/78/38/68/1430783868.db2.gz RNPIPXAITBCVMI-UTKZUKDTSA-N 2 2 380.492 3.038 20 0 GGADLP CSc1c(F)cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000184375951 1430880384 /nfs/dbraw/zinc/88/03/84/1430880384.db2.gz IXTIFLFQXLZEAM-UHFFFAOYSA-N 2 2 386.512 3.176 20 0 GGADLP CSc1c(F)cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000184375951 1430880386 /nfs/dbraw/zinc/88/03/86/1430880386.db2.gz IXTIFLFQXLZEAM-UHFFFAOYSA-N 2 2 386.512 3.176 20 0 GGADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184602718 1430916004 /nfs/dbraw/zinc/91/60/04/1430916004.db2.gz UALUUWBSAWTBMG-HXUWFJFHSA-N 2 2 381.524 3.190 20 0 GGADLP CCN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184602718 1430916005 /nfs/dbraw/zinc/91/60/05/1430916005.db2.gz UALUUWBSAWTBMG-HXUWFJFHSA-N 2 2 381.524 3.190 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000184649348 1430930044 /nfs/dbraw/zinc/93/00/44/1430930044.db2.gz ZMSUOYTUHIMQMD-HNNXBMFYSA-N 2 2 380.499 3.021 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000184649348 1430930047 /nfs/dbraw/zinc/93/00/47/1430930047.db2.gz ZMSUOYTUHIMQMD-HNNXBMFYSA-N 2 2 380.499 3.021 20 0 GGADLP CCc1nc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000184675634 1430939547 /nfs/dbraw/zinc/93/95/47/1430939547.db2.gz AOPVEHXNLPLYLV-MRXNPFEDSA-N 2 2 386.565 3.268 20 0 GGADLP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ncc(-c2ccccc2)o1 ZINC000184689005 1430943428 /nfs/dbraw/zinc/94/34/28/1430943428.db2.gz ZMVQORDNWJCALX-PXNSSMCTSA-N 2 2 392.503 3.411 20 0 GGADLP COC[C@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)o1 ZINC000184720150 1430953071 /nfs/dbraw/zinc/95/30/71/1430953071.db2.gz OVPVWNNQACFBCG-NQIIRXRSSA-N 2 2 399.535 3.034 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000184729728 1430956838 /nfs/dbraw/zinc/95/68/38/1430956838.db2.gz KUWOSGQHODGSEX-INIZCTEOSA-N 2 2 393.491 3.036 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000184729728 1430956853 /nfs/dbraw/zinc/95/68/53/1430956853.db2.gz KUWOSGQHODGSEX-INIZCTEOSA-N 2 2 393.491 3.036 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000184731614 1430957483 /nfs/dbraw/zinc/95/74/83/1430957483.db2.gz UTEYCIMSTATUSR-ZDUSSCGKSA-N 2 2 380.395 3.384 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000184731614 1430957484 /nfs/dbraw/zinc/95/74/84/1430957484.db2.gz UTEYCIMSTATUSR-ZDUSSCGKSA-N 2 2 380.395 3.384 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000184740195 1430960451 /nfs/dbraw/zinc/96/04/51/1430960451.db2.gz JMSRTMWNTDRJIV-HOTGVXAUSA-N 2 2 386.927 3.420 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000184745726 1430963404 /nfs/dbraw/zinc/96/34/04/1430963404.db2.gz FFAFVXKQQNWCBB-HZPDHXFCSA-N 2 2 382.533 3.002 20 0 GGADLP CC[C@@H]1Cc2ccccc2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000184773492 1430973148 /nfs/dbraw/zinc/97/31/48/1430973148.db2.gz KAYCKMZWUFXIQZ-OAQYLSRUSA-N 2 2 384.568 3.092 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@]3(C)Cc3ccccc3)CC2)CC1 ZINC000184773337 1430973463 /nfs/dbraw/zinc/97/34/63/1430973463.db2.gz GDVHRWSATQHEHB-XMMPIXPASA-N 2 2 398.595 3.352 20 0 GGADLP Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000185006002 1431040325 /nfs/dbraw/zinc/04/03/25/1431040325.db2.gz GQVZGKUGQIAISD-SFHVURJKSA-N 2 2 386.565 3.145 20 0 GGADLP Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000185006002 1431040327 /nfs/dbraw/zinc/04/03/27/1431040327.db2.gz GQVZGKUGQIAISD-SFHVURJKSA-N 2 2 386.565 3.145 20 0 GGADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000185006022 1431040516 /nfs/dbraw/zinc/04/05/16/1431040516.db2.gz GQVZGKUGQIAISD-GOSISDBHSA-N 2 2 386.565 3.145 20 0 GGADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)s1 ZINC000185006022 1431040521 /nfs/dbraw/zinc/04/05/21/1431040521.db2.gz GQVZGKUGQIAISD-GOSISDBHSA-N 2 2 386.565 3.145 20 0 GGADLP COCCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000185148031 1431072513 /nfs/dbraw/zinc/07/25/13/1431072513.db2.gz AJNMHTYXRJRVPZ-UXHICEINSA-N 2 2 396.620 3.028 20 0 GGADLP COCCC(C)(C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185148031 1431072516 /nfs/dbraw/zinc/07/25/16/1431072516.db2.gz AJNMHTYXRJRVPZ-UXHICEINSA-N 2 2 396.620 3.028 20 0 GGADLP Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000185281105 1431098861 /nfs/dbraw/zinc/09/88/61/1431098861.db2.gz PEQZQOCQAAJIMQ-PWIZWCRZSA-N 2 2 398.576 3.271 20 0 GGADLP Cc1cnc([C@H]([NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000185281105 1431098868 /nfs/dbraw/zinc/09/88/68/1431098868.db2.gz PEQZQOCQAAJIMQ-PWIZWCRZSA-N 2 2 398.576 3.271 20 0 GGADLP CCOc1cc(NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)ncn1 ZINC000185664756 1431200220 /nfs/dbraw/zinc/20/02/20/1431200220.db2.gz UNCZVGHXZICNGI-UHFFFAOYSA-N 2 2 378.480 3.138 20 0 GGADLP CC[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000185695983 1431208749 /nfs/dbraw/zinc/20/87/49/1431208749.db2.gz SKLKTPIRJRPWKL-NRFANRHFSA-N 2 2 383.540 3.278 20 0 GGADLP CC[C@H]1CN(C(=O)NCCCCn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000185695983 1431208754 /nfs/dbraw/zinc/20/87/54/1431208754.db2.gz SKLKTPIRJRPWKL-NRFANRHFSA-N 2 2 383.540 3.278 20 0 GGADLP C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730255 1431217843 /nfs/dbraw/zinc/21/78/43/1431217843.db2.gz PBBXVGUIPJBPTE-UONOGXRCSA-N 2 2 379.574 3.017 20 0 GGADLP C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730255 1431217845 /nfs/dbraw/zinc/21/78/45/1431217845.db2.gz PBBXVGUIPJBPTE-UONOGXRCSA-N 2 2 379.574 3.017 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730302 1431218322 /nfs/dbraw/zinc/21/83/22/1431218322.db2.gz PBBXVGUIPJBPTE-KGLIPLIRSA-N 2 2 379.574 3.017 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730302 1431218324 /nfs/dbraw/zinc/21/83/24/1431218324.db2.gz PBBXVGUIPJBPTE-KGLIPLIRSA-N 2 2 379.574 3.017 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)c3cccc(Cl)c3F)cn2)CC1 ZINC000185847092 1431250416 /nfs/dbraw/zinc/25/04/16/1431250416.db2.gz ZWUOKWSMNZZRII-UHFFFAOYSA-N 2 2 377.895 3.046 20 0 GGADLP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185910588 1431275374 /nfs/dbraw/zinc/27/53/74/1431275374.db2.gz PMIHUPKQLCUJAT-APWZRJJASA-N 2 2 391.968 3.300 20 0 GGADLP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000185910588 1431275379 /nfs/dbraw/zinc/27/53/79/1431275379.db2.gz PMIHUPKQLCUJAT-APWZRJJASA-N 2 2 391.968 3.300 20 0 GGADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1ccccc1C(F)(F)F ZINC000186366229 1431393234 /nfs/dbraw/zinc/39/32/34/1431393234.db2.gz HVKMOZRPBQFKKD-KRWDZBQOSA-N 2 2 378.398 3.344 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)[C@H](C)C1 ZINC000187009829 1431588706 /nfs/dbraw/zinc/58/87/06/1431588706.db2.gz CTENVUDXASEVCM-WSTZPKSXSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)[C@H](C)C1 ZINC000187009829 1431588708 /nfs/dbraw/zinc/58/87/08/1431588708.db2.gz CTENVUDXASEVCM-WSTZPKSXSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000187019922 1431591672 /nfs/dbraw/zinc/59/16/72/1431591672.db2.gz BGCCWYWKVMBIKM-SJLPKXTDSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000187019922 1431591674 /nfs/dbraw/zinc/59/16/74/1431591674.db2.gz BGCCWYWKVMBIKM-SJLPKXTDSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)[C@@H](C)C1 ZINC000187022398 1431592048 /nfs/dbraw/zinc/59/20/48/1431592048.db2.gz NSEXBHQOOHCKOE-ICSRJNTNSA-N 2 2 375.557 3.223 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)[C@@H](C)C1 ZINC000187022398 1431592052 /nfs/dbraw/zinc/59/20/52/1431592052.db2.gz NSEXBHQOOHCKOE-ICSRJNTNSA-N 2 2 375.557 3.223 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000187025314 1431593928 /nfs/dbraw/zinc/59/39/28/1431593928.db2.gz AKWMOUVMPHOXKT-PBHICJAKSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@H](C)C1 ZINC000187025314 1431593931 /nfs/dbraw/zinc/59/39/31/1431593931.db2.gz AKWMOUVMPHOXKT-PBHICJAKSA-N 2 2 385.911 3.144 20 0 GGADLP Cc1ncsc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000187042853 1431598312 /nfs/dbraw/zinc/59/83/12/1431598312.db2.gz YDLDFADRIZJFND-NDUHVBCRSA-N 2 2 390.597 3.260 20 0 GGADLP Cc1ncsc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000187042853 1431598315 /nfs/dbraw/zinc/59/83/15/1431598315.db2.gz YDLDFADRIZJFND-NDUHVBCRSA-N 2 2 390.597 3.260 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H](C)[C@@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000187228921 1431656786 /nfs/dbraw/zinc/65/67/86/1431656786.db2.gz AHNGIAVUNQGYHG-AVRDEDQJSA-N 2 2 380.536 3.414 20 0 GGADLP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)CCCC1)c1ccccc1 ZINC000187230346 1431657290 /nfs/dbraw/zinc/65/72/90/1431657290.db2.gz GAOJCQHWOQCQPZ-ROUUACIJSA-N 2 2 378.582 3.453 20 0 GGADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000188132591 1431851045 /nfs/dbraw/zinc/85/10/45/1431851045.db2.gz YEIDDHYPLIPCRH-QFIPXVFZSA-N 2 2 386.584 3.465 20 0 GGADLP CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)CC2 ZINC000188132591 1431851047 /nfs/dbraw/zinc/85/10/47/1431851047.db2.gz YEIDDHYPLIPCRH-QFIPXVFZSA-N 2 2 386.584 3.465 20 0 GGADLP CC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(F)c1 ZINC000188192793 1431858890 /nfs/dbraw/zinc/85/88/90/1431858890.db2.gz JHGQJUCRCNZRAZ-WOJBJXKFSA-N 2 2 399.514 3.162 20 0 GGADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000188300336 1431870949 /nfs/dbraw/zinc/87/09/49/1431870949.db2.gz IMSCTDBPVRUBQM-LJQANCHMSA-N 2 2 383.540 3.038 20 0 GGADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000188300317 1431870960 /nfs/dbraw/zinc/87/09/60/1431870960.db2.gz IMSCTDBPVRUBQM-IBGZPJMESA-N 2 2 383.540 3.038 20 0 GGADLP C[N@H+](Cc1cc(F)cc2cccnc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326189 1431873287 /nfs/dbraw/zinc/87/32/87/1431873287.db2.gz MKYJDSGEZMWRDK-QHCPKHFHSA-N 2 2 379.479 3.443 20 0 GGADLP C[N@@H+](Cc1cc(F)cc2cccnc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326189 1431873288 /nfs/dbraw/zinc/87/32/88/1431873288.db2.gz MKYJDSGEZMWRDK-QHCPKHFHSA-N 2 2 379.479 3.443 20 0 GGADLP C[NH+](Cc1cc(F)cc2cccnc21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188326189 1431873291 /nfs/dbraw/zinc/87/32/91/1431873291.db2.gz MKYJDSGEZMWRDK-QHCPKHFHSA-N 2 2 379.479 3.443 20 0 GGADLP C[NH+](Cc1cc(F)cc2cccnc21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188326189 1431873293 /nfs/dbraw/zinc/87/32/93/1431873293.db2.gz MKYJDSGEZMWRDK-QHCPKHFHSA-N 2 2 379.479 3.443 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188504854 1431889818 /nfs/dbraw/zinc/88/98/18/1431889818.db2.gz SQSMQSVPAVYJEC-APWZRJJASA-N 2 2 384.490 3.156 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188504854 1431889819 /nfs/dbraw/zinc/88/98/19/1431889819.db2.gz SQSMQSVPAVYJEC-APWZRJJASA-N 2 2 384.490 3.156 20 0 GGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)C[C@H](C)O1 ZINC000188993452 1432024036 /nfs/dbraw/zinc/02/40/36/1432024036.db2.gz XSPVEWQLLMNBJE-HOTGVXAUSA-N 2 2 388.487 3.197 20 0 GGADLP Fc1ccc(Cn2cc(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)cn2)cc1 ZINC000189051708 1432035340 /nfs/dbraw/zinc/03/53/40/1432035340.db2.gz CBQZBLFKONBZJG-UHFFFAOYSA-N 2 2 394.494 3.193 20 0 GGADLP C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[NH+]1CCC(C)CC1 ZINC000189095319 1432044161 /nfs/dbraw/zinc/04/41/61/1432044161.db2.gz ORDYFFYBUULLBT-LMDPOFIKSA-N 2 2 383.536 3.304 20 0 GGADLP Cc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000189096539 1432044323 /nfs/dbraw/zinc/04/43/23/1432044323.db2.gz FHLQOTVXRGVGEV-HSZRJFAPSA-N 2 2 377.532 3.350 20 0 GGADLP O=C(CC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000189105343 1432045549 /nfs/dbraw/zinc/04/55/49/1432045549.db2.gz YUHGXAJKBVXATB-FGZHOGPDSA-N 2 2 392.547 3.121 20 0 GGADLP COc1ccc([C@H](C)[NH2+][C@@H](C)c2nnnn2C2CC2)cc1C[NH+]1CCCCC1 ZINC000189119097 1432048063 /nfs/dbraw/zinc/04/80/63/1432048063.db2.gz KJFVRKARZAONHB-HOTGVXAUSA-N 2 2 384.528 3.414 20 0 GGADLP O=C1c2ccccc2C(=O)N1C1CCC([NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000189131728 1432050166 /nfs/dbraw/zinc/05/01/66/1432050166.db2.gz MSYGXVPYOYTLSA-UHFFFAOYSA-N 2 2 392.503 3.471 20 0 GGADLP C[N@H+](CCOCC(F)(F)C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189516258 1432145050 /nfs/dbraw/zinc/14/50/50/1432145050.db2.gz NUDFTHNQZSVWSN-UHFFFAOYSA-N 2 2 395.416 3.235 20 0 GGADLP C[N@@H+](CCOCC(F)(F)C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000189516258 1432145066 /nfs/dbraw/zinc/14/50/66/1432145066.db2.gz NUDFTHNQZSVWSN-UHFFFAOYSA-N 2 2 395.416 3.235 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000189781616 1432233930 /nfs/dbraw/zinc/23/39/30/1432233930.db2.gz JLHHGRPGTXBNQT-RBBKRZOGSA-N 2 2 398.595 3.256 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000190000398 1432302387 /nfs/dbraw/zinc/30/23/87/1432302387.db2.gz PYGZYNGNKXMJTL-KUHUBIRLSA-N 2 2 382.932 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)cc(C(C)=O)c2O)[C@H](C)C1 ZINC000190000398 1432302389 /nfs/dbraw/zinc/30/23/89/1432302389.db2.gz PYGZYNGNKXMJTL-KUHUBIRLSA-N 2 2 382.932 3.475 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000190006973 1432303309 /nfs/dbraw/zinc/30/33/09/1432303309.db2.gz OROFRMLBLOSNSS-APWZRJJASA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(SC)cc2)[C@H](C)C1 ZINC000190006973 1432303313 /nfs/dbraw/zinc/30/33/13/1432303313.db2.gz OROFRMLBLOSNSS-APWZRJJASA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000190007614 1432303945 /nfs/dbraw/zinc/30/39/45/1432303945.db2.gz ADQPBKHAGKCDBX-UYAOXDASSA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000190007614 1432303950 /nfs/dbraw/zinc/30/39/50/1432303950.db2.gz ADQPBKHAGKCDBX-UYAOXDASSA-N 2 2 375.557 3.475 20 0 GGADLP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000190021378 1432306347 /nfs/dbraw/zinc/30/63/47/1432306347.db2.gz IKNIQGNGBCYQRJ-VQTJNVASSA-N 2 2 391.581 3.111 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000190311861 1432357992 /nfs/dbraw/zinc/35/79/92/1432357992.db2.gz VRYORZDUFUVLOA-JOCHJYFZSA-N 2 2 380.492 3.047 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000190311861 1432357994 /nfs/dbraw/zinc/35/79/94/1432357994.db2.gz VRYORZDUFUVLOA-JOCHJYFZSA-N 2 2 380.492 3.047 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000190311861 1432357997 /nfs/dbraw/zinc/35/79/97/1432357997.db2.gz VRYORZDUFUVLOA-JOCHJYFZSA-N 2 2 380.492 3.047 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000190311861 1432357999 /nfs/dbraw/zinc/35/79/99/1432357999.db2.gz VRYORZDUFUVLOA-JOCHJYFZSA-N 2 2 380.492 3.047 20 0 GGADLP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190320046 1432360772 /nfs/dbraw/zinc/36/07/72/1432360772.db2.gz IKWIAJVUPCCNLG-HSZRJFAPSA-N 2 2 394.494 3.285 20 0 GGADLP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190320046 1432360775 /nfs/dbraw/zinc/36/07/75/1432360775.db2.gz IKWIAJVUPCCNLG-HSZRJFAPSA-N 2 2 394.494 3.285 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190320046 1432360778 /nfs/dbraw/zinc/36/07/78/1432360778.db2.gz IKWIAJVUPCCNLG-HSZRJFAPSA-N 2 2 394.494 3.285 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190320046 1432360779 /nfs/dbraw/zinc/36/07/79/1432360779.db2.gz IKWIAJVUPCCNLG-HSZRJFAPSA-N 2 2 394.494 3.285 20 0 GGADLP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000190563249 1432407213 /nfs/dbraw/zinc/40/72/13/1432407213.db2.gz PUHJRPHWLJMCIW-QGZVFWFLSA-N 2 2 395.532 3.231 20 0 GGADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(-n3cc[nH+]c3)c2)C1 ZINC000190563249 1432407222 /nfs/dbraw/zinc/40/72/22/1432407222.db2.gz PUHJRPHWLJMCIW-QGZVFWFLSA-N 2 2 395.532 3.231 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000190633541 1432427483 /nfs/dbraw/zinc/42/74/83/1432427483.db2.gz BPJQHGHJDULLHU-UHFFFAOYSA-N 2 2 398.555 3.179 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000190654172 1432431917 /nfs/dbraw/zinc/43/19/17/1432431917.db2.gz MZCDMOIAPZNHEQ-FPOVZHCZSA-N 2 2 397.567 3.388 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000190654172 1432431926 /nfs/dbraw/zinc/43/19/26/1432431926.db2.gz MZCDMOIAPZNHEQ-FPOVZHCZSA-N 2 2 397.567 3.388 20 0 GGADLP Cc1cc(C)c(N2CC[C@@H]([NH2+]C3CC[NH+](CCOC(C)C)CC3)C2=O)c(C)c1 ZINC000190974515 1432541284 /nfs/dbraw/zinc/54/12/84/1432541284.db2.gz ZEVMJIOSYOSGAB-OAQYLSRUSA-N 2 2 387.568 3.196 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3ccc(Cl)cc3F)CC2)CC1 ZINC000191012969 1432550008 /nfs/dbraw/zinc/55/00/08/1432550008.db2.gz ASADTZBVXDWHQR-UHFFFAOYSA-N 2 2 395.950 3.432 20 0 GGADLP Cc1c([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cnn1C(C)C ZINC000191213188 1432593783 /nfs/dbraw/zinc/59/37/83/1432593783.db2.gz ITWKPMALHRKPMD-SFHVURJKSA-N 2 2 386.540 3.334 20 0 GGADLP Cc1c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cnn1C(C)C ZINC000191229819 1432597327 /nfs/dbraw/zinc/59/73/27/1432597327.db2.gz FBVLQKSDMAMDAG-GOSISDBHSA-N 2 2 386.540 3.334 20 0 GGADLP CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000191287371 1432620816 /nfs/dbraw/zinc/62/08/16/1432620816.db2.gz NNIADCYUROICHS-RTBURBONSA-N 2 2 390.572 3.491 20 0 GGADLP CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191287355 1432621332 /nfs/dbraw/zinc/62/13/32/1432621332.db2.gz NNIADCYUROICHS-KDURUIRLSA-N 2 2 390.572 3.491 20 0 GGADLP CCCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191287355 1432621344 /nfs/dbraw/zinc/62/13/44/1432621344.db2.gz NNIADCYUROICHS-KDURUIRLSA-N 2 2 390.572 3.491 20 0 GGADLP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000191288128 1432621794 /nfs/dbraw/zinc/62/17/94/1432621794.db2.gz HCEKYFIITZNKMK-UHFFFAOYSA-N 2 2 376.504 3.119 20 0 GGADLP CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191287453 1432622140 /nfs/dbraw/zinc/62/21/40/1432622140.db2.gz SOBVWGZXERYCBF-HDICACEKSA-N 2 2 376.545 3.101 20 0 GGADLP CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000191287453 1432622151 /nfs/dbraw/zinc/62/21/51/1432622151.db2.gz SOBVWGZXERYCBF-HDICACEKSA-N 2 2 376.545 3.101 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000191482854 1432669233 /nfs/dbraw/zinc/66/92/33/1432669233.db2.gz WDVADHPCOUEYGY-UHFFFAOYSA-N 2 2 383.452 3.136 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000191482854 1432669238 /nfs/dbraw/zinc/66/92/38/1432669238.db2.gz WDVADHPCOUEYGY-UHFFFAOYSA-N 2 2 383.452 3.136 20 0 GGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCS2 ZINC000191503173 1432673904 /nfs/dbraw/zinc/67/39/04/1432673904.db2.gz IOMGGXNTUZUQCC-LJQANCHMSA-N 2 2 384.549 3.169 20 0 GGADLP CCOC(=O)[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000191637965 1432697960 /nfs/dbraw/zinc/69/79/60/1432697960.db2.gz COQXVDYZJAGHCG-QHCPKHFHSA-N 2 2 381.520 3.157 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([S@](C)=O)cc1 ZINC000191832822 1432734797 /nfs/dbraw/zinc/73/47/97/1432734797.db2.gz MSZZOFFNYZYHIX-WOSYXGESSA-N 2 2 386.561 3.366 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([S@](C)=O)cc1 ZINC000191832822 1432734802 /nfs/dbraw/zinc/73/48/02/1432734802.db2.gz MSZZOFFNYZYHIX-WOSYXGESSA-N 2 2 386.561 3.366 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191834585 1432736155 /nfs/dbraw/zinc/73/61/55/1432736155.db2.gz MFXWWJVAPKFZND-AVRDEDQJSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191834585 1432736164 /nfs/dbraw/zinc/73/61/64/1432736164.db2.gz MFXWWJVAPKFZND-AVRDEDQJSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191836814 1432736555 /nfs/dbraw/zinc/73/65/55/1432736555.db2.gz WTVPHPMYDFJALP-PGRDOPGGSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191836814 1432736564 /nfs/dbraw/zinc/73/65/64/1432736564.db2.gz WTVPHPMYDFJALP-PGRDOPGGSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191836918 1432736798 /nfs/dbraw/zinc/73/67/98/1432736798.db2.gz MFGFWWBXINRSLF-NZQKXSOJSA-N 2 2 395.547 3.309 20 0 GGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191836918 1432736801 /nfs/dbraw/zinc/73/68/01/1432736801.db2.gz MFGFWWBXINRSLF-NZQKXSOJSA-N 2 2 395.547 3.309 20 0 GGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000192098898 1432798038 /nfs/dbraw/zinc/79/80/38/1432798038.db2.gz VOTCWMCHRUNBEO-INIZCTEOSA-N 2 2 384.505 3.021 20 0 GGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000192098898 1432798040 /nfs/dbraw/zinc/79/80/40/1432798040.db2.gz VOTCWMCHRUNBEO-INIZCTEOSA-N 2 2 384.505 3.021 20 0 GGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000192135639 1432804370 /nfs/dbraw/zinc/80/43/70/1432804370.db2.gz WMKSKNAURWAYMD-UHFFFAOYSA-N 2 2 386.503 3.375 20 0 GGADLP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(-c2ccccc2)n1 ZINC000192354517 1432835778 /nfs/dbraw/zinc/83/57/78/1432835778.db2.gz IPXOBJSJMIQSBQ-QHCPKHFHSA-N 2 2 390.531 3.468 20 0 GGADLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(-c2ccccc2)n1 ZINC000192354517 1432835779 /nfs/dbraw/zinc/83/57/79/1432835779.db2.gz IPXOBJSJMIQSBQ-QHCPKHFHSA-N 2 2 390.531 3.468 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355164 1432835886 /nfs/dbraw/zinc/83/58/86/1432835886.db2.gz ASCVOPGJORUOTN-FQEVSTJZSA-N 2 2 380.492 3.359 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192355164 1432835887 /nfs/dbraw/zinc/83/58/87/1432835887.db2.gz ASCVOPGJORUOTN-FQEVSTJZSA-N 2 2 380.492 3.359 20 0 GGADLP COC(=O)C1CCC([NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000192442171 1432845208 /nfs/dbraw/zinc/84/52/08/1432845208.db2.gz SDLYRUNYQPJHSF-UHFFFAOYSA-N 2 2 393.959 3.174 20 0 GGADLP O=C(CC[N@H+]1CC=C(c2ccc(F)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000192552764 1432858843 /nfs/dbraw/zinc/85/88/43/1432858843.db2.gz GPZLLFIZBMXNCB-UHFFFAOYSA-N 2 2 394.494 3.049 20 0 GGADLP O=C(CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000192552764 1432858845 /nfs/dbraw/zinc/85/88/45/1432858845.db2.gz GPZLLFIZBMXNCB-UHFFFAOYSA-N 2 2 394.494 3.049 20 0 GGADLP C[C@@H](Oc1cccc2ccccc21)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000192566922 1432860997 /nfs/dbraw/zinc/86/09/97/1432860997.db2.gz GHFFIMWNXXLXQR-GOSISDBHSA-N 2 2 383.536 3.092 20 0 GGADLP C[C@@H](Oc1cccc2ccccc21)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000192566922 1432860998 /nfs/dbraw/zinc/86/09/98/1432860998.db2.gz GHFFIMWNXXLXQR-GOSISDBHSA-N 2 2 383.536 3.092 20 0 GGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccnn1C ZINC000192655903 1432872143 /nfs/dbraw/zinc/87/21/43/1432872143.db2.gz KDPYYGGXWUJDRN-INIZCTEOSA-N 2 2 395.473 3.302 20 0 GGADLP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)CCC2 ZINC000192807000 1432893400 /nfs/dbraw/zinc/89/34/00/1432893400.db2.gz AQYCMYDCENWVGJ-KRWDZBQOSA-N 2 2 378.513 3.233 20 0 GGADLP C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000193131451 1432941616 /nfs/dbraw/zinc/94/16/16/1432941616.db2.gz ZRMXYEOFHPTZDP-PMACEKPBSA-N 2 2 382.508 3.115 20 0 GGADLP C[N@H+]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000193131451 1432941621 /nfs/dbraw/zinc/94/16/21/1432941621.db2.gz ZRMXYEOFHPTZDP-PMACEKPBSA-N 2 2 382.508 3.115 20 0 GGADLP CC(C)C[NH+]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000193605423 1433027678 /nfs/dbraw/zinc/02/76/78/1433027678.db2.gz KQZKWICSMFLPNL-RTBURBONSA-N 2 2 388.556 3.101 20 0 GGADLP Cn1c[nH+]cc1CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000193664283 1433036362 /nfs/dbraw/zinc/03/63/62/1433036362.db2.gz ZDIJPDFQZLRGAJ-UHFFFAOYSA-N 2 2 386.499 3.267 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193999400 1433098617 /nfs/dbraw/zinc/09/86/17/1433098617.db2.gz XXTAJEJQZHJKQN-NRFANRHFSA-N 2 2 393.535 3.003 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193999400 1433098618 /nfs/dbraw/zinc/09/86/18/1433098618.db2.gz XXTAJEJQZHJKQN-NRFANRHFSA-N 2 2 393.535 3.003 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194083782 1433113853 /nfs/dbraw/zinc/11/38/53/1433113853.db2.gz BVEVRFPJFYDUDP-FQEVSTJZSA-N 2 2 389.503 3.194 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194083782 1433113857 /nfs/dbraw/zinc/11/38/57/1433113857.db2.gz BVEVRFPJFYDUDP-FQEVSTJZSA-N 2 2 389.503 3.194 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000194146300 1433126440 /nfs/dbraw/zinc/12/64/40/1433126440.db2.gz CXQGFMYPEDSDNV-QFIPXVFZSA-N 2 2 392.547 3.387 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000194146300 1433126441 /nfs/dbraw/zinc/12/64/41/1433126441.db2.gz CXQGFMYPEDSDNV-QFIPXVFZSA-N 2 2 392.547 3.387 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H](c3ccc(F)cc3)[NH+](C)C)CC2)[nH+]c1 ZINC000194182166 1433133636 /nfs/dbraw/zinc/13/36/36/1433133636.db2.gz YKEPWNOKCDGXGZ-HXUWFJFHSA-N 2 2 384.499 3.165 20 0 GGADLP CC[C@H]1CCc2nc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)sc2C1 ZINC000194474427 1433183987 /nfs/dbraw/zinc/18/39/87/1433183987.db2.gz RXRHEIFVTFGPLP-HNNXBMFYSA-N 2 2 393.601 3.148 20 0 GGADLP CC[C@H]1CCc2nc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)sc2C1 ZINC000194474427 1433183989 /nfs/dbraw/zinc/18/39/89/1433183989.db2.gz RXRHEIFVTFGPLP-HNNXBMFYSA-N 2 2 393.601 3.148 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000194515315 1433190922 /nfs/dbraw/zinc/19/09/22/1433190922.db2.gz OYBXTDNPLVVHGI-UHFFFAOYSA-N 2 2 393.601 3.292 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000194515315 1433190924 /nfs/dbraw/zinc/19/09/24/1433190924.db2.gz OYBXTDNPLVVHGI-UHFFFAOYSA-N 2 2 393.601 3.292 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](CC4CC4)CC3)c2C1 ZINC000194702722 1433217437 /nfs/dbraw/zinc/21/74/37/1433217437.db2.gz DPXYFCLXRJMEOA-UHFFFAOYSA-N 2 2 392.547 3.217 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](CC4CC4)CC3)c2C1 ZINC000194702722 1433217440 /nfs/dbraw/zinc/21/74/40/1433217440.db2.gz DPXYFCLXRJMEOA-UHFFFAOYSA-N 2 2 392.547 3.217 20 0 GGADLP CN(C(=O)c1coc(C2CCC2)n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000194849412 1433248494 /nfs/dbraw/zinc/24/84/94/1433248494.db2.gz HCDHAHVPUFSUBI-UXHICEINSA-N 2 2 388.556 3.351 20 0 GGADLP CN(C(=O)c1coc(C2CCC2)n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000194849412 1433248497 /nfs/dbraw/zinc/24/84/97/1433248497.db2.gz HCDHAHVPUFSUBI-UXHICEINSA-N 2 2 388.556 3.351 20 0 GGADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000194879848 1433255554 /nfs/dbraw/zinc/25/55/54/1433255554.db2.gz QKXXNTZGRXMVTB-RDTXWAMCSA-N 2 2 377.920 3.083 20 0 GGADLP C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCOC(C)(C)C2)c1 ZINC000194922954 1433264989 /nfs/dbraw/zinc/26/49/89/1433264989.db2.gz UBARVGUJKOLWNX-UHFFFAOYSA-N 2 2 395.547 3.159 20 0 GGADLP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCOC(C)(C)C2)c1 ZINC000194922954 1433264992 /nfs/dbraw/zinc/26/49/92/1433264992.db2.gz UBARVGUJKOLWNX-UHFFFAOYSA-N 2 2 395.547 3.159 20 0 GGADLP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1 ZINC000194922954 1433264995 /nfs/dbraw/zinc/26/49/95/1433264995.db2.gz UBARVGUJKOLWNX-UHFFFAOYSA-N 2 2 395.547 3.159 20 0 GGADLP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1 ZINC000194922954 1433264998 /nfs/dbraw/zinc/26/49/98/1433264998.db2.gz UBARVGUJKOLWNX-UHFFFAOYSA-N 2 2 395.547 3.159 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000195145142 1433298964 /nfs/dbraw/zinc/29/89/64/1433298964.db2.gz ZZHYBEZWCSDNKP-QGZVFWFLSA-N 2 2 396.535 3.295 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1C ZINC000195145142 1433298968 /nfs/dbraw/zinc/29/89/68/1433298968.db2.gz ZZHYBEZWCSDNKP-QGZVFWFLSA-N 2 2 396.535 3.295 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCc3cccc(Cl)c3)CC2)CC1 ZINC000195281302 1433314785 /nfs/dbraw/zinc/31/47/85/1433314785.db2.gz HDISMVMWAXIXOD-UHFFFAOYSA-N 2 2 392.975 3.130 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000195303153 1433316852 /nfs/dbraw/zinc/31/68/52/1433316852.db2.gz PBRVIEVQKUJYIL-DNVFCKCGSA-N 2 2 395.547 3.215 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CC[C@H](c4ccccc4)C3)CC2)c1 ZINC000195737235 1433346192 /nfs/dbraw/zinc/34/61/92/1433346192.db2.gz ACHHVTGCKLIKLY-QHCPKHFHSA-N 2 2 377.532 3.129 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CC[C@H](c4ccccc4)C3)CC2)c1 ZINC000195737235 1433346195 /nfs/dbraw/zinc/34/61/95/1433346195.db2.gz ACHHVTGCKLIKLY-QHCPKHFHSA-N 2 2 377.532 3.129 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cn(-c3ccccc3)nc2C(C)(C)C)CC1 ZINC000236623727 1433374859 /nfs/dbraw/zinc/37/48/59/1433374859.db2.gz OBRRPSSVGRTOJF-NRFANRHFSA-N 2 2 384.568 3.352 20 0 GGADLP CCCCn1nc(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1Cl ZINC000236756282 1433377850 /nfs/dbraw/zinc/37/78/50/1433377850.db2.gz KYSMYGDSOQDPRJ-UHFFFAOYSA-N 2 2 390.963 3.082 20 0 GGADLP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000236866567 1433381214 /nfs/dbraw/zinc/38/12/14/1433381214.db2.gz RMJCBCRVUDTRAS-QHCPKHFHSA-N 2 2 394.563 3.460 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000236979091 1433384875 /nfs/dbraw/zinc/38/48/75/1433384875.db2.gz SDQMBQPKLBQGJZ-AVRDEDQJSA-N 2 2 381.520 3.066 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000236979056 1433384887 /nfs/dbraw/zinc/38/48/87/1433384887.db2.gz SDQMBQPKLBQGJZ-PGRDOPGGSA-N 2 2 381.520 3.066 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(-c4cccs4)n3)cn2)CC1 ZINC000237110645 1433389535 /nfs/dbraw/zinc/38/95/35/1433389535.db2.gz VYYITFLABBCLJL-UHFFFAOYSA-N 2 2 385.562 3.308 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000237128997 1433390367 /nfs/dbraw/zinc/39/03/67/1433390367.db2.gz CYGQFAJRFJTGBG-UHFFFAOYSA-N 2 2 382.552 3.426 20 0 GGADLP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237144611 1433390671 /nfs/dbraw/zinc/39/06/71/1433390671.db2.gz IZRBMPINXUCZAN-MNEFBYGVSA-N 2 2 375.875 3.288 20 0 GGADLP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000237144611 1433390675 /nfs/dbraw/zinc/39/06/75/1433390675.db2.gz IZRBMPINXUCZAN-MNEFBYGVSA-N 2 2 375.875 3.288 20 0 GGADLP COc1cc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1OCC(F)(F)F ZINC000237156767 1433390931 /nfs/dbraw/zinc/39/09/31/1433390931.db2.gz VLQXQFSOQKZFKA-HUUCEWRRSA-N 2 2 390.446 3.225 20 0 GGADLP COc1ccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N(C)C)cc1OC ZINC000237342489 1433398179 /nfs/dbraw/zinc/39/81/79/1433398179.db2.gz PBNWKAIJHWFHDJ-FQEVSTJZSA-N 2 2 380.492 3.282 20 0 GGADLP C[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCN(c2ccccc2)CC1 ZINC000237412156 1433401630 /nfs/dbraw/zinc/40/16/30/1433401630.db2.gz SGYVZZQTHKANGY-FQEVSTJZSA-N 2 2 375.520 3.173 20 0 GGADLP COc1cc2c(c(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)c1)O[C@H](C)C2 ZINC000237412998 1433401718 /nfs/dbraw/zinc/40/17/18/1433401718.db2.gz QSWGGSWXIBYWRL-QGZVFWFLSA-N 2 2 382.504 3.141 20 0 GGADLP C[C@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237672807 1433416378 /nfs/dbraw/zinc/41/63/78/1433416378.db2.gz RSHCPIKLPABYPP-HXUWFJFHSA-N 2 2 375.520 3.173 20 0 GGADLP O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000237754533 1433421263 /nfs/dbraw/zinc/42/12/63/1433421263.db2.gz AXXSFFQKKLGBSM-WMLDXEAASA-N 2 2 379.907 3.122 20 0 GGADLP O=C(NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000237758146 1433421626 /nfs/dbraw/zinc/42/16/26/1433421626.db2.gz AXXSFFQKKLGBSM-PBHICJAKSA-N 2 2 379.907 3.122 20 0 GGADLP [NH3+][C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237828249 1433427114 /nfs/dbraw/zinc/42/71/14/1433427114.db2.gz YGDUDQFLZFATCA-IBGZPJMESA-N 2 2 378.501 3.340 20 0 GGADLP [NH3+][C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237828249 1433427121 /nfs/dbraw/zinc/42/71/21/1433427121.db2.gz YGDUDQFLZFATCA-IBGZPJMESA-N 2 2 378.501 3.340 20 0 GGADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237841376 1433428235 /nfs/dbraw/zinc/42/82/35/1433428235.db2.gz PLORVLULWJIFDT-DPGVMXDBSA-N 2 2 393.934 3.480 20 0 GGADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000237841376 1433428237 /nfs/dbraw/zinc/42/82/37/1433428237.db2.gz PLORVLULWJIFDT-DPGVMXDBSA-N 2 2 393.934 3.480 20 0 GGADLP Cc1cccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000237872057 1433430309 /nfs/dbraw/zinc/43/03/09/1433430309.db2.gz NNFUEPOACCTYTG-QHCPKHFHSA-N 2 2 376.504 3.344 20 0 GGADLP Cn1cccc1C[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000237879235 1433431163 /nfs/dbraw/zinc/43/11/63/1433431163.db2.gz HSPBXNMITSWPRM-UHFFFAOYSA-N 2 2 380.458 3.346 20 0 GGADLP [NH3+][C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238037789 1433440313 /nfs/dbraw/zinc/44/03/13/1433440313.db2.gz FXLXTKXVNRVFFA-HKUYNNGSSA-N 2 2 375.875 3.260 20 0 GGADLP [NH3+][C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238037789 1433440317 /nfs/dbraw/zinc/44/03/17/1433440317.db2.gz FXLXTKXVNRVFFA-HKUYNNGSSA-N 2 2 375.875 3.260 20 0 GGADLP [NH3+]C[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238036430 1433440512 /nfs/dbraw/zinc/44/05/12/1433440512.db2.gz OCHPREWRUUPBIT-RBUKOAKNSA-N 2 2 389.902 3.302 20 0 GGADLP [NH3+]C[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238036430 1433440513 /nfs/dbraw/zinc/44/05/13/1433440513.db2.gz OCHPREWRUUPBIT-RBUKOAKNSA-N 2 2 389.902 3.302 20 0 GGADLP [NH3+]Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](Cc2ccccc2)CC3)cc1 ZINC000238074771 1433442072 /nfs/dbraw/zinc/44/20/72/1433442072.db2.gz VDFNPKJXCYSGSX-UHFFFAOYSA-N 2 2 378.501 3.412 20 0 GGADLP [NH3+]Cc1ccc(C(=O)Nc2nc3c(s2)C[N@@H+](Cc2ccccc2)CC3)cc1 ZINC000238074771 1433442074 /nfs/dbraw/zinc/44/20/74/1433442074.db2.gz VDFNPKJXCYSGSX-UHFFFAOYSA-N 2 2 378.501 3.412 20 0 GGADLP OC1CC[NH+](CCC[NH2+]Cc2cc(Cl)ccc2OCc2cccnc2)CC1 ZINC000238149761 1433444339 /nfs/dbraw/zinc/44/43/39/1433444339.db2.gz ZVJXFBPQPBCDIV-UHFFFAOYSA-N 2 2 389.927 3.250 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000245385723 1433456659 /nfs/dbraw/zinc/45/66/59/1433456659.db2.gz GMXFMMSFNHWRNP-BZSNNMDCSA-N 2 2 391.531 3.282 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245432782 1433466425 /nfs/dbraw/zinc/46/64/25/1433466425.db2.gz BLWQDOYZYAEDTB-IAGOWNOFSA-N 2 2 388.581 3.449 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000245432782 1433466426 /nfs/dbraw/zinc/46/64/26/1433466426.db2.gz BLWQDOYZYAEDTB-IAGOWNOFSA-N 2 2 388.581 3.449 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000245432782 1433466427 /nfs/dbraw/zinc/46/64/27/1433466427.db2.gz BLWQDOYZYAEDTB-IAGOWNOFSA-N 2 2 388.581 3.449 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000245432782 1433466428 /nfs/dbraw/zinc/46/64/28/1433466428.db2.gz BLWQDOYZYAEDTB-IAGOWNOFSA-N 2 2 388.581 3.449 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432476 1433466440 /nfs/dbraw/zinc/46/64/40/1433466440.db2.gz BHPFOSRPDGAKIT-GJZGRUSLSA-N 2 2 387.597 3.214 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432476 1433466441 /nfs/dbraw/zinc/46/64/41/1433466441.db2.gz BHPFOSRPDGAKIT-GJZGRUSLSA-N 2 2 387.597 3.214 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432476 1433466442 /nfs/dbraw/zinc/46/64/42/1433466442.db2.gz BHPFOSRPDGAKIT-GJZGRUSLSA-N 2 2 387.597 3.214 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432476 1433466443 /nfs/dbraw/zinc/46/64/43/1433466443.db2.gz BHPFOSRPDGAKIT-GJZGRUSLSA-N 2 2 387.597 3.214 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245457192 1433471465 /nfs/dbraw/zinc/47/14/65/1433471465.db2.gz UFWXLPYOUYFHDA-AZUAARDMSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245457192 1433471468 /nfs/dbraw/zinc/47/14/68/1433471468.db2.gz UFWXLPYOUYFHDA-AZUAARDMSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245457192 1433471471 /nfs/dbraw/zinc/47/14/71/1433471471.db2.gz UFWXLPYOUYFHDA-AZUAARDMSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@@H](C(=O)N1CCc2sccc2C1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245457192 1433471474 /nfs/dbraw/zinc/47/14/74/1433471474.db2.gz UFWXLPYOUYFHDA-AZUAARDMSA-N 2 2 397.588 3.475 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245462676 1433472896 /nfs/dbraw/zinc/47/28/96/1433472896.db2.gz XBCYVFUUSDQYKQ-NZQKXSOJSA-N 2 2 379.548 3.487 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245462676 1433472902 /nfs/dbraw/zinc/47/29/02/1433472902.db2.gz XBCYVFUUSDQYKQ-NZQKXSOJSA-N 2 2 379.548 3.487 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245462676 1433472914 /nfs/dbraw/zinc/47/29/14/1433472914.db2.gz XBCYVFUUSDQYKQ-NZQKXSOJSA-N 2 2 379.548 3.487 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245462676 1433472916 /nfs/dbraw/zinc/47/29/16/1433472916.db2.gz XBCYVFUUSDQYKQ-NZQKXSOJSA-N 2 2 379.548 3.487 20 0 GGADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@H]1c1cccs1 ZINC000245514074 1433480134 /nfs/dbraw/zinc/48/01/34/1433480134.db2.gz PDPDVDQQNVOMRF-HLIPFELVSA-N 2 2 399.564 3.104 20 0 GGADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@H]1c1cccs1 ZINC000245514074 1433480136 /nfs/dbraw/zinc/48/01/36/1433480136.db2.gz PDPDVDQQNVOMRF-HLIPFELVSA-N 2 2 399.564 3.104 20 0 GGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554433 1433484367 /nfs/dbraw/zinc/48/43/67/1433484367.db2.gz GWXGCLMCVPSOQE-PMACEKPBSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554433 1433484369 /nfs/dbraw/zinc/48/43/69/1433484369.db2.gz GWXGCLMCVPSOQE-PMACEKPBSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554433 1433484373 /nfs/dbraw/zinc/48/43/73/1433484373.db2.gz GWXGCLMCVPSOQE-PMACEKPBSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554433 1433484376 /nfs/dbraw/zinc/48/43/76/1433484376.db2.gz GWXGCLMCVPSOQE-PMACEKPBSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000245554872 1433484782 /nfs/dbraw/zinc/48/47/82/1433484782.db2.gz HMAUVMAWDUEODD-ROUUACIJSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000245554872 1433484783 /nfs/dbraw/zinc/48/47/83/1433484783.db2.gz HMAUVMAWDUEODD-ROUUACIJSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000245554872 1433484784 /nfs/dbraw/zinc/48/47/84/1433484784.db2.gz HMAUVMAWDUEODD-ROUUACIJSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000245554872 1433484785 /nfs/dbraw/zinc/48/47/85/1433484785.db2.gz HMAUVMAWDUEODD-ROUUACIJSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245572612 1433486884 /nfs/dbraw/zinc/48/68/84/1433486884.db2.gz CNPYFFZJRFUDSW-NSISKUIASA-N 2 2 388.556 3.185 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245572612 1433486885 /nfs/dbraw/zinc/48/68/85/1433486885.db2.gz CNPYFFZJRFUDSW-NSISKUIASA-N 2 2 388.556 3.185 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000245582487 1433487795 /nfs/dbraw/zinc/48/77/95/1433487795.db2.gz IAUHLCPOWWTRMT-VOBQZIQPSA-N 2 2 377.891 3.408 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000245582487 1433487796 /nfs/dbraw/zinc/48/77/96/1433487796.db2.gz IAUHLCPOWWTRMT-VOBQZIQPSA-N 2 2 377.891 3.408 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610538 1433490744 /nfs/dbraw/zinc/49/07/44/1433490744.db2.gz JYXAQPOPZWCBBZ-MJGOQNOKSA-N 2 2 397.485 3.470 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610538 1433490750 /nfs/dbraw/zinc/49/07/50/1433490750.db2.gz JYXAQPOPZWCBBZ-MJGOQNOKSA-N 2 2 397.485 3.470 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610538 1433490753 /nfs/dbraw/zinc/49/07/53/1433490753.db2.gz JYXAQPOPZWCBBZ-MJGOQNOKSA-N 2 2 397.485 3.470 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610538 1433490757 /nfs/dbraw/zinc/49/07/57/1433490757.db2.gz JYXAQPOPZWCBBZ-MJGOQNOKSA-N 2 2 397.485 3.470 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245627623 1433492835 /nfs/dbraw/zinc/49/28/35/1433492835.db2.gz CQWQIQBJSRLYLX-LEWJYISDSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1cccc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245627623 1433492837 /nfs/dbraw/zinc/49/28/37/1433492837.db2.gz CQWQIQBJSRLYLX-LEWJYISDSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)COC1CCCCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245631034 1433493135 /nfs/dbraw/zinc/49/31/35/1433493135.db2.gz DLARWLCDQUQVDJ-NHCUHLMSSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)COC1CCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245631034 1433493136 /nfs/dbraw/zinc/49/31/36/1433493136.db2.gz DLARWLCDQUQVDJ-NHCUHLMSSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)c1csc(C2CC2)n1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245632050 1433493465 /nfs/dbraw/zinc/49/34/65/1433493465.db2.gz DQEKFDRORRFPPA-RTBURBONSA-N 2 2 390.597 3.430 20 0 GGADLP CN(C(=O)c1csc(C2CC2)n1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245632050 1433493466 /nfs/dbraw/zinc/49/34/66/1433493466.db2.gz DQEKFDRORRFPPA-RTBURBONSA-N 2 2 390.597 3.430 20 0 GGADLP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000245672210 1433497709 /nfs/dbraw/zinc/49/77/09/1433497709.db2.gz SHCXSYZQOSHZEW-FGZHOGPDSA-N 2 2 389.503 3.176 20 0 GGADLP C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@H]1c1ccccc1 ZINC000245672210 1433497711 /nfs/dbraw/zinc/49/77/11/1433497711.db2.gz SHCXSYZQOSHZEW-FGZHOGPDSA-N 2 2 389.503 3.176 20 0 GGADLP CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245716939 1433504917 /nfs/dbraw/zinc/50/49/17/1433504917.db2.gz OTISGIVCDLJLLX-WOJBJXKFSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1ccc(F)cc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245716939 1433504921 /nfs/dbraw/zinc/50/49/21/1433504921.db2.gz OTISGIVCDLJLLX-WOJBJXKFSA-N 2 2 379.495 3.374 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245723438 1433506138 /nfs/dbraw/zinc/50/61/38/1433506138.db2.gz UZSYZKJVHCWMKI-RXVVDRJESA-N 2 2 384.524 3.261 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245723438 1433506142 /nfs/dbraw/zinc/50/61/42/1433506142.db2.gz UZSYZKJVHCWMKI-RXVVDRJESA-N 2 2 384.524 3.261 20 0 GGADLP CN(C(=O)CCc1ccsc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245730662 1433506958 /nfs/dbraw/zinc/50/69/58/1433506958.db2.gz RUMAWMOILAKUOA-WOJBJXKFSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)CCc1ccsc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245730662 1433506960 /nfs/dbraw/zinc/50/69/60/1433506960.db2.gz RUMAWMOILAKUOA-WOJBJXKFSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)[C@H]1OCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245743457 1433509664 /nfs/dbraw/zinc/50/96/64/1433509664.db2.gz VUAOMQPPLVKQIR-ZLNRFVROSA-N 2 2 399.579 3.096 20 0 GGADLP CN(C(=O)[C@H]1OCCc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245743457 1433509667 /nfs/dbraw/zinc/50/96/67/1433509667.db2.gz VUAOMQPPLVKQIR-ZLNRFVROSA-N 2 2 399.579 3.096 20 0 GGADLP CN(C(=O)[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245745060 1433509881 /nfs/dbraw/zinc/50/98/81/1433509881.db2.gz WHFPRWOZXWVCSC-YPAWHYETSA-N 2 2 399.579 3.348 20 0 GGADLP CN(C(=O)[C@@H]1CCOc2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245745060 1433509884 /nfs/dbraw/zinc/50/98/84/1433509884.db2.gz WHFPRWOZXWVCSC-YPAWHYETSA-N 2 2 399.579 3.348 20 0 GGADLP CN(C(=O)[C@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245745040 1433510017 /nfs/dbraw/zinc/51/00/17/1433510017.db2.gz WHFPRWOZXWVCSC-BDTNDASRSA-N 2 2 399.579 3.348 20 0 GGADLP CN(C(=O)[C@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245745040 1433510021 /nfs/dbraw/zinc/51/00/21/1433510021.db2.gz WHFPRWOZXWVCSC-BDTNDASRSA-N 2 2 399.579 3.348 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245751244 1433511347 /nfs/dbraw/zinc/51/13/47/1433511347.db2.gz YVTLCHYWBRWPCC-YZGWKJHDSA-N 2 2 384.524 3.432 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245751244 1433511353 /nfs/dbraw/zinc/51/13/53/1433511353.db2.gz YVTLCHYWBRWPCC-YZGWKJHDSA-N 2 2 384.524 3.432 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245751241 1433511442 /nfs/dbraw/zinc/51/14/42/1433511442.db2.gz YVTLCHYWBRWPCC-IHPCNDPISA-N 2 2 384.524 3.432 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245751241 1433511443 /nfs/dbraw/zinc/51/14/43/1433511443.db2.gz YVTLCHYWBRWPCC-IHPCNDPISA-N 2 2 384.524 3.432 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245751238 1433511667 /nfs/dbraw/zinc/51/16/67/1433511667.db2.gz YVTLCHYWBRWPCC-HOJAQTOUSA-N 2 2 384.524 3.432 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000245751238 1433511670 /nfs/dbraw/zinc/51/16/70/1433511670.db2.gz YVTLCHYWBRWPCC-HOJAQTOUSA-N 2 2 384.524 3.432 20 0 GGADLP CN(C(=O)CCOc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245755794 1433512644 /nfs/dbraw/zinc/51/26/44/1433512644.db2.gz YKECFJLTNKCVGE-FCHUYYIVSA-N 2 2 387.568 3.251 20 0 GGADLP CN(C(=O)CCOc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245755794 1433512650 /nfs/dbraw/zinc/51/26/50/1433512650.db2.gz YKECFJLTNKCVGE-FCHUYYIVSA-N 2 2 387.568 3.251 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245805698 1433520539 /nfs/dbraw/zinc/52/05/39/1433520539.db2.gz BJMDDSTWCNRBOO-WMZOPIPTSA-N 2 2 381.442 3.297 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000245805698 1433520545 /nfs/dbraw/zinc/52/05/45/1433520545.db2.gz BJMDDSTWCNRBOO-WMZOPIPTSA-N 2 2 381.442 3.297 20 0 GGADLP C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000245819196 1433522200 /nfs/dbraw/zinc/52/22/00/1433522200.db2.gz DMNMBEXYIZJMAL-ABSDTBQOSA-N 2 2 391.943 3.467 20 0 GGADLP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000245819196 1433522201 /nfs/dbraw/zinc/52/22/01/1433522201.db2.gz DMNMBEXYIZJMAL-ABSDTBQOSA-N 2 2 391.943 3.467 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2cccc(O)c2)CC1 ZINC000245817723 1433522216 /nfs/dbraw/zinc/52/22/16/1433522216.db2.gz SLOGHLQIBOGRCB-HXUWFJFHSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2cccc(O)c2)CC1 ZINC000245817723 1433522224 /nfs/dbraw/zinc/52/22/24/1433522224.db2.gz SLOGHLQIBOGRCB-HXUWFJFHSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2cccc(O)c2)CC1 ZINC000245817723 1433522228 /nfs/dbraw/zinc/52/22/28/1433522228.db2.gz SLOGHLQIBOGRCB-HXUWFJFHSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2cccc(O)c2)CC1 ZINC000245817723 1433522235 /nfs/dbraw/zinc/52/22/35/1433522235.db2.gz SLOGHLQIBOGRCB-HXUWFJFHSA-N 2 2 395.547 3.428 20 0 GGADLP CC[C@H](CSC)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245844767 1433525465 /nfs/dbraw/zinc/52/54/65/1433525465.db2.gz DMJUPAVCWOIKMK-BHIYHBOVSA-N 2 2 384.634 3.107 20 0 GGADLP CC[C@H](CSC)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245844767 1433525475 /nfs/dbraw/zinc/52/54/75/1433525475.db2.gz DMJUPAVCWOIKMK-BHIYHBOVSA-N 2 2 384.634 3.107 20 0 GGADLP CC1(C)[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCCO[C@H]21 ZINC000245850894 1433526013 /nfs/dbraw/zinc/52/60/13/1433526013.db2.gz GIQIUUCGNQRQRJ-DNVJHFABSA-N 2 2 385.596 3.378 20 0 GGADLP CC[N@H+](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000245847143 1433526367 /nfs/dbraw/zinc/52/63/67/1433526367.db2.gz JOPYRRUWDHRENY-WMZHIEFXSA-N 2 2 395.547 3.217 20 0 GGADLP CC[N@@H+](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000245847143 1433526375 /nfs/dbraw/zinc/52/63/75/1433526375.db2.gz JOPYRRUWDHRENY-WMZHIEFXSA-N 2 2 395.547 3.217 20 0 GGADLP CC[NH+](C)[C@@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000245847143 1433526383 /nfs/dbraw/zinc/52/63/83/1433526383.db2.gz JOPYRRUWDHRENY-WMZHIEFXSA-N 2 2 395.547 3.217 20 0 GGADLP CC[NH+](C)[C@@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000245847143 1433526388 /nfs/dbraw/zinc/52/63/88/1433526388.db2.gz JOPYRRUWDHRENY-WMZHIEFXSA-N 2 2 395.547 3.217 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000245864207 1433529422 /nfs/dbraw/zinc/52/94/22/1433529422.db2.gz LEPQIXFLBUGFKY-WMLDXEAASA-N 2 2 378.314 3.171 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000245864207 1433529427 /nfs/dbraw/zinc/52/94/27/1433529427.db2.gz LEPQIXFLBUGFKY-WMLDXEAASA-N 2 2 378.314 3.171 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000245869554 1433530649 /nfs/dbraw/zinc/53/06/49/1433530649.db2.gz LTPNKLCKOSUVJM-AZUAARDMSA-N 2 2 385.552 3.412 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000245869554 1433530653 /nfs/dbraw/zinc/53/06/53/1433530653.db2.gz LTPNKLCKOSUVJM-AZUAARDMSA-N 2 2 385.552 3.412 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000245893653 1433536047 /nfs/dbraw/zinc/53/60/47/1433536047.db2.gz SCDPQLXZBJTUHD-KDOFPFPSSA-N 2 2 390.890 3.273 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000245893653 1433536050 /nfs/dbraw/zinc/53/60/50/1433536050.db2.gz SCDPQLXZBJTUHD-KDOFPFPSSA-N 2 2 390.890 3.273 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245915197 1433541530 /nfs/dbraw/zinc/54/15/30/1433541530.db2.gz RUWUYZGXYQOOTN-WIYYLYMNSA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245915197 1433541535 /nfs/dbraw/zinc/54/15/35/1433541535.db2.gz RUWUYZGXYQOOTN-WIYYLYMNSA-N 2 2 379.504 3.268 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000245923688 1433544404 /nfs/dbraw/zinc/54/44/04/1433544404.db2.gz HBSLUAPMWLTEDG-OTWHNJEPSA-N 2 2 380.536 3.240 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000245923688 1433544408 /nfs/dbraw/zinc/54/44/08/1433544408.db2.gz HBSLUAPMWLTEDG-OTWHNJEPSA-N 2 2 380.536 3.240 20 0 GGADLP CN(C(=O)NC[C@@H]1CC=CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246046065 1433561284 /nfs/dbraw/zinc/56/12/84/1433561284.db2.gz AQWDQCWVEMOAPM-HMXCVIKNSA-N 2 2 376.589 3.321 20 0 GGADLP CN(C(=O)NC[C@@H]1CC=CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246046065 1433561289 /nfs/dbraw/zinc/56/12/89/1433561289.db2.gz AQWDQCWVEMOAPM-HMXCVIKNSA-N 2 2 376.589 3.321 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000246065455 1433563756 /nfs/dbraw/zinc/56/37/56/1433563756.db2.gz HMWSLSDJWCZCBU-QUCCMNQESA-N 2 2 383.540 3.180 20 0 GGADLP CN(C(=O)NCC1(C2CC2)CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246086751 1433566477 /nfs/dbraw/zinc/56/64/77/1433566477.db2.gz CGRWZZIVMGKMSK-VQTJNVASSA-N 2 2 376.589 3.155 20 0 GGADLP CN(C(=O)NCC1(C2CC2)CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246086751 1433566480 /nfs/dbraw/zinc/56/64/80/1433566480.db2.gz CGRWZZIVMGKMSK-VQTJNVASSA-N 2 2 376.589 3.155 20 0 GGADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113081 1433570624 /nfs/dbraw/zinc/57/06/24/1433570624.db2.gz JUCUOWUARUBIPF-TWARZNRNSA-N 2 2 382.552 3.289 20 0 GGADLP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113081 1433570629 /nfs/dbraw/zinc/57/06/29/1433570629.db2.gz JUCUOWUARUBIPF-TWARZNRNSA-N 2 2 382.552 3.289 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246123483 1433571703 /nfs/dbraw/zinc/57/17/03/1433571703.db2.gz KMKIEBSNHHPUTJ-FXAWDEMLSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246123483 1433571704 /nfs/dbraw/zinc/57/17/04/1433571704.db2.gz KMKIEBSNHHPUTJ-FXAWDEMLSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246123483 1433571706 /nfs/dbraw/zinc/57/17/06/1433571706.db2.gz KMKIEBSNHHPUTJ-FXAWDEMLSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246123483 1433571708 /nfs/dbraw/zinc/57/17/08/1433571708.db2.gz KMKIEBSNHHPUTJ-FXAWDEMLSA-N 2 2 394.519 3.297 20 0 GGADLP Cn1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000246124848 1433571996 /nfs/dbraw/zinc/57/19/96/1433571996.db2.gz KNUNDOCINJKVCB-AZUAARDMSA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000246124848 1433571997 /nfs/dbraw/zinc/57/19/97/1433571997.db2.gz KNUNDOCINJKVCB-AZUAARDMSA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000246124848 1433571998 /nfs/dbraw/zinc/57/19/98/1433571998.db2.gz KNUNDOCINJKVCB-AZUAARDMSA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000246124848 1433571999 /nfs/dbraw/zinc/57/19/99/1433571999.db2.gz KNUNDOCINJKVCB-AZUAARDMSA-N 2 2 396.535 3.165 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000246146440 1433574658 /nfs/dbraw/zinc/57/46/58/1433574658.db2.gz LLQIJLMIDUORQG-OTWHNJEPSA-N 2 2 388.556 3.101 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000246146440 1433574661 /nfs/dbraw/zinc/57/46/61/1433574661.db2.gz LLQIJLMIDUORQG-OTWHNJEPSA-N 2 2 388.556 3.101 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000246146440 1433574664 /nfs/dbraw/zinc/57/46/64/1433574664.db2.gz LLQIJLMIDUORQG-OTWHNJEPSA-N 2 2 388.556 3.101 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)C[C@H](C)O1 ZINC000246146440 1433574666 /nfs/dbraw/zinc/57/46/66/1433574666.db2.gz LLQIJLMIDUORQG-OTWHNJEPSA-N 2 2 388.556 3.101 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)CC1 ZINC000246178374 1433578281 /nfs/dbraw/zinc/57/82/81/1433578281.db2.gz QWUNATUZJZYFID-XZOQPEGZSA-N 2 2 392.547 3.078 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)CC1 ZINC000246178374 1433578284 /nfs/dbraw/zinc/57/82/84/1433578284.db2.gz QWUNATUZJZYFID-XZOQPEGZSA-N 2 2 392.547 3.078 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)CC1 ZINC000246178369 1433578328 /nfs/dbraw/zinc/57/83/28/1433578328.db2.gz QWUNATUZJZYFID-DHIUTWEWSA-N 2 2 392.547 3.078 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C(=O)Nc3ccccc3)c3ccccc3)C2)CC1 ZINC000246178369 1433578331 /nfs/dbraw/zinc/57/83/31/1433578331.db2.gz QWUNATUZJZYFID-DHIUTWEWSA-N 2 2 392.547 3.078 20 0 GGADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246212298 1433582334 /nfs/dbraw/zinc/58/23/34/1433582334.db2.gz AOFQEQZPFRSMBD-AZUAARDMSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246212298 1433582337 /nfs/dbraw/zinc/58/23/37/1433582337.db2.gz AOFQEQZPFRSMBD-AZUAARDMSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246212298 1433582340 /nfs/dbraw/zinc/58/23/40/1433582340.db2.gz AOFQEQZPFRSMBD-AZUAARDMSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246212298 1433582343 /nfs/dbraw/zinc/58/23/43/1433582343.db2.gz AOFQEQZPFRSMBD-AZUAARDMSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246212310 1433582405 /nfs/dbraw/zinc/58/24/05/1433582405.db2.gz AOFQEQZPFRSMBD-UYAOXDASSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246212310 1433582408 /nfs/dbraw/zinc/58/24/08/1433582408.db2.gz AOFQEQZPFRSMBD-UYAOXDASSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246212310 1433582413 /nfs/dbraw/zinc/58/24/13/1433582413.db2.gz AOFQEQZPFRSMBD-UYAOXDASSA-N 2 2 394.519 3.177 20 0 GGADLP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246212310 1433582415 /nfs/dbraw/zinc/58/24/15/1433582415.db2.gz AOFQEQZPFRSMBD-UYAOXDASSA-N 2 2 394.519 3.177 20 0 GGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000246215458 1433582933 /nfs/dbraw/zinc/58/29/33/1433582933.db2.gz COEQFHPAZBYMRR-WMLDXEAASA-N 2 2 390.325 3.138 20 0 GGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000246215458 1433582935 /nfs/dbraw/zinc/58/29/35/1433582935.db2.gz COEQFHPAZBYMRR-WMLDXEAASA-N 2 2 390.325 3.138 20 0 GGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000246215458 1433582937 /nfs/dbraw/zinc/58/29/37/1433582937.db2.gz COEQFHPAZBYMRR-WMLDXEAASA-N 2 2 390.325 3.138 20 0 GGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000246215458 1433582939 /nfs/dbraw/zinc/58/29/39/1433582939.db2.gz COEQFHPAZBYMRR-WMLDXEAASA-N 2 2 390.325 3.138 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000246300720 1433591725 /nfs/dbraw/zinc/59/17/25/1433591725.db2.gz CZYHCHNCWVOZHI-QFBILLFUSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000246300720 1433591729 /nfs/dbraw/zinc/59/17/29/1433591729.db2.gz CZYHCHNCWVOZHI-QFBILLFUSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000246301085 1433592036 /nfs/dbraw/zinc/59/20/36/1433592036.db2.gz DBGSLCJLDNJWGY-WMZHIEFXSA-N 3 2 379.552 3.193 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000246301085 1433592040 /nfs/dbraw/zinc/59/20/40/1433592040.db2.gz DBGSLCJLDNJWGY-WMZHIEFXSA-N 3 2 379.552 3.193 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000246337141 1433596604 /nfs/dbraw/zinc/59/66/04/1433596604.db2.gz GNSXRHLWMBTGML-DENIHFKCSA-N 2 2 392.547 3.251 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000246337141 1433596608 /nfs/dbraw/zinc/59/66/08/1433596608.db2.gz GNSXRHLWMBTGML-DENIHFKCSA-N 2 2 392.547 3.251 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2c1 ZINC000246336897 1433596695 /nfs/dbraw/zinc/59/66/95/1433596695.db2.gz HILMNUGJSHNVTI-MJGOQNOKSA-N 2 2 383.536 3.079 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2c1 ZINC000246336897 1433596697 /nfs/dbraw/zinc/59/66/97/1433596697.db2.gz HILMNUGJSHNVTI-MJGOQNOKSA-N 2 2 383.536 3.079 20 0 GGADLP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000246339349 1433597101 /nfs/dbraw/zinc/59/71/01/1433597101.db2.gz ISZIBFYUWFXVTQ-IRXDYDNUSA-N 2 2 388.943 3.434 20 0 GGADLP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000246339349 1433597102 /nfs/dbraw/zinc/59/71/02/1433597102.db2.gz ISZIBFYUWFXVTQ-IRXDYDNUSA-N 2 2 388.943 3.434 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000246339349 1433597104 /nfs/dbraw/zinc/59/71/04/1433597104.db2.gz ISZIBFYUWFXVTQ-IRXDYDNUSA-N 2 2 388.943 3.434 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000246339349 1433597107 /nfs/dbraw/zinc/59/71/07/1433597107.db2.gz ISZIBFYUWFXVTQ-IRXDYDNUSA-N 2 2 388.943 3.434 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000246383515 1433604251 /nfs/dbraw/zinc/60/42/51/1433604251.db2.gz ACTOYUWERVPIDI-XMSQKQJNSA-N 2 2 378.520 3.209 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000246383515 1433604256 /nfs/dbraw/zinc/60/42/56/1433604256.db2.gz ACTOYUWERVPIDI-XMSQKQJNSA-N 2 2 378.520 3.209 20 0 GGADLP CN(C(=O)NOCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246417243 1433609560 /nfs/dbraw/zinc/60/95/60/1433609560.db2.gz IEUIOKDVNJVTPC-LEWJYISDSA-N 2 2 388.556 3.097 20 0 GGADLP CN(C(=O)NOCc1ccccc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246417243 1433609562 /nfs/dbraw/zinc/60/95/62/1433609562.db2.gz IEUIOKDVNJVTPC-LEWJYISDSA-N 2 2 388.556 3.097 20 0 GGADLP CN(C(=O)NCCc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246467353 1433617162 /nfs/dbraw/zinc/61/71/62/1433617162.db2.gz JIXLRLVUNGCHAG-FGZHOGPDSA-N 2 2 386.584 3.208 20 0 GGADLP CN(C(=O)NCCc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246467353 1433617166 /nfs/dbraw/zinc/61/71/66/1433617166.db2.gz JIXLRLVUNGCHAG-FGZHOGPDSA-N 2 2 386.584 3.208 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246471248 1433617839 /nfs/dbraw/zinc/61/78/39/1433617839.db2.gz QBPFXVOTNKYKCB-CTNGQTDRSA-N 2 2 389.609 3.261 20 0 GGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C1 ZINC000246471248 1433617842 /nfs/dbraw/zinc/61/78/42/1433617842.db2.gz QBPFXVOTNKYKCB-CTNGQTDRSA-N 2 2 389.609 3.261 20 0 GGADLP C[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)[C@@H](C)c1ccccc1 ZINC000246510801 1433623465 /nfs/dbraw/zinc/62/34/65/1433623465.db2.gz UAYUIONNTSWDAQ-DYXWJJEUSA-N 2 2 395.551 3.064 20 0 GGADLP CCSCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246528308 1433625845 /nfs/dbraw/zinc/62/58/45/1433625845.db2.gz KXYLJIVANWYABW-DFQSSKMNSA-N 2 2 398.661 3.497 20 0 GGADLP CCSCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246528308 1433625848 /nfs/dbraw/zinc/62/58/48/1433625848.db2.gz KXYLJIVANWYABW-DFQSSKMNSA-N 2 2 398.661 3.497 20 0 GGADLP COC(=O)c1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000246535894 1433627121 /nfs/dbraw/zinc/62/71/21/1433627121.db2.gz JQIKIUYUNMEXRJ-QFBILLFUSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000246535894 1433627122 /nfs/dbraw/zinc/62/71/22/1433627122.db2.gz JQIKIUYUNMEXRJ-QFBILLFUSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000246535894 1433627123 /nfs/dbraw/zinc/62/71/23/1433627123.db2.gz JQIKIUYUNMEXRJ-QFBILLFUSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000246535894 1433627124 /nfs/dbraw/zinc/62/71/24/1433627124.db2.gz JQIKIUYUNMEXRJ-QFBILLFUSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000246535877 1433627155 /nfs/dbraw/zinc/62/71/55/1433627155.db2.gz JQIKIUYUNMEXRJ-LPHOPBHVSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000246535877 1433627159 /nfs/dbraw/zinc/62/71/59/1433627159.db2.gz JQIKIUYUNMEXRJ-LPHOPBHVSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000246535877 1433627162 /nfs/dbraw/zinc/62/71/62/1433627162.db2.gz JQIKIUYUNMEXRJ-LPHOPBHVSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000246535877 1433627165 /nfs/dbraw/zinc/62/71/65/1433627165.db2.gz JQIKIUYUNMEXRJ-LPHOPBHVSA-N 2 2 392.927 3.454 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246542507 1433628148 /nfs/dbraw/zinc/62/81/48/1433628148.db2.gz ATRCQXTYWWDXLM-NUJGCVRESA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246542507 1433628151 /nfs/dbraw/zinc/62/81/51/1433628151.db2.gz ATRCQXTYWWDXLM-NUJGCVRESA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246542507 1433628154 /nfs/dbraw/zinc/62/81/54/1433628154.db2.gz ATRCQXTYWWDXLM-NUJGCVRESA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246542507 1433628159 /nfs/dbraw/zinc/62/81/59/1433628159.db2.gz ATRCQXTYWWDXLM-NUJGCVRESA-N 2 2 386.565 3.059 20 0 GGADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000246547641 1433629498 /nfs/dbraw/zinc/62/94/98/1433629498.db2.gz DEOSVDMEDKWEHB-QMMLZNLJSA-N 2 2 381.524 3.143 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000246547641 1433629499 /nfs/dbraw/zinc/62/94/99/1433629499.db2.gz DEOSVDMEDKWEHB-QMMLZNLJSA-N 2 2 381.524 3.143 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)nc[nH+]1 ZINC000246553473 1433630229 /nfs/dbraw/zinc/63/02/29/1433630229.db2.gz WRQKAZWPFNHKON-MISYRCLQSA-N 3 2 386.588 3.120 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000246556063 1433630439 /nfs/dbraw/zinc/63/04/39/1433630439.db2.gz WWPHCPGXEMQVHU-AUSIDOKSSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000246556063 1433630441 /nfs/dbraw/zinc/63/04/41/1433630441.db2.gz WWPHCPGXEMQVHU-AUSIDOKSSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246600042 1433637901 /nfs/dbraw/zinc/63/79/01/1433637901.db2.gz DBPKUZGDCALMAL-OALUTQOASA-N 2 2 375.561 3.039 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246600042 1433637904 /nfs/dbraw/zinc/63/79/04/1433637904.db2.gz DBPKUZGDCALMAL-OALUTQOASA-N 2 2 375.561 3.039 20 0 GGADLP CN(C(=O)NCc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246700125 1433651805 /nfs/dbraw/zinc/65/18/05/1433651805.db2.gz NCDFRSAGUNMETP-NHCUHLMSSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1cccc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246700125 1433651806 /nfs/dbraw/zinc/65/18/06/1433651806.db2.gz NCDFRSAGUNMETP-NHCUHLMSSA-N 2 2 390.547 3.304 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)CC(C)C ZINC000246826959 1433674732 /nfs/dbraw/zinc/67/47/32/1433674732.db2.gz BKQGUFXXADQFHZ-HOJAQTOUSA-N 2 2 376.545 3.042 20 0 GGADLP CCOC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)CC(C)C ZINC000246826959 1433674738 /nfs/dbraw/zinc/67/47/38/1433674738.db2.gz BKQGUFXXADQFHZ-HOJAQTOUSA-N 2 2 376.545 3.042 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000246874102 1433680952 /nfs/dbraw/zinc/68/09/52/1433680952.db2.gz CTPKGPGXVADQFE-MAUKXSAKSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000246874102 1433680953 /nfs/dbraw/zinc/68/09/53/1433680953.db2.gz CTPKGPGXVADQFE-MAUKXSAKSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000246874125 1433681012 /nfs/dbraw/zinc/68/10/12/1433681012.db2.gz CTPKGPGXVADQFE-YJBOKZPZSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2C)[C@@H](C)C1 ZINC000246874125 1433681017 /nfs/dbraw/zinc/68/10/17/1433681017.db2.gz CTPKGPGXVADQFE-YJBOKZPZSA-N 2 2 381.948 3.314 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246882215 1433682430 /nfs/dbraw/zinc/68/24/30/1433682430.db2.gz QPBTUCJGAZVTNJ-JTHBVZDNSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246882215 1433682432 /nfs/dbraw/zinc/68/24/32/1433682432.db2.gz QPBTUCJGAZVTNJ-JTHBVZDNSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246882215 1433682434 /nfs/dbraw/zinc/68/24/34/1433682434.db2.gz QPBTUCJGAZVTNJ-JTHBVZDNSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246882215 1433682437 /nfs/dbraw/zinc/68/24/37/1433682437.db2.gz QPBTUCJGAZVTNJ-JTHBVZDNSA-N 2 2 383.580 3.417 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)C[C@H]3CCC[NH+](C)C3)ccc2c1 ZINC000246884427 1433682745 /nfs/dbraw/zinc/68/27/45/1433682745.db2.gz LLRHPYNPOWPRCY-ICSRJNTNSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)C[C@H]3CCC[NH+](C)C3)ccc2c1 ZINC000246884427 1433682748 /nfs/dbraw/zinc/68/27/48/1433682748.db2.gz LLRHPYNPOWPRCY-ICSRJNTNSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+](C)C[C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000246884427 1433682752 /nfs/dbraw/zinc/68/27/52/1433682752.db2.gz LLRHPYNPOWPRCY-ICSRJNTNSA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH+](C)C[C@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000246884427 1433682756 /nfs/dbraw/zinc/68/27/56/1433682756.db2.gz LLRHPYNPOWPRCY-ICSRJNTNSA-N 2 2 397.563 3.469 20 0 GGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@H]3C)cn2)n1 ZINC000246893707 1433683418 /nfs/dbraw/zinc/68/34/18/1433683418.db2.gz FMYJBJBKLYDLLY-VGSWGCGISA-N 2 2 390.535 3.279 20 0 GGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@H]3C)cn2)n1 ZINC000246893707 1433683422 /nfs/dbraw/zinc/68/34/22/1433683422.db2.gz FMYJBJBKLYDLLY-VGSWGCGISA-N 2 2 390.535 3.279 20 0 GGADLP CCN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246913822 1433686573 /nfs/dbraw/zinc/68/65/73/1433686573.db2.gz GATLTDZCWCFWCI-MJGOQNOKSA-N 2 2 376.545 3.139 20 0 GGADLP CCN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246913822 1433686578 /nfs/dbraw/zinc/68/65/78/1433686578.db2.gz GATLTDZCWCFWCI-MJGOQNOKSA-N 2 2 376.545 3.139 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000247208165 1433690856 /nfs/dbraw/zinc/69/08/56/1433690856.db2.gz WVBUAOAREWOXCL-QZTJIDSGSA-N 2 2 377.492 3.343 20 0 GGADLP CN(C(=O)NCc1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247225220 1433693232 /nfs/dbraw/zinc/69/32/32/1433693232.db2.gz ZDRQDXGGJFHPSJ-RTBURBONSA-N 2 2 378.586 3.227 20 0 GGADLP CN(C(=O)NCc1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247225220 1433693237 /nfs/dbraw/zinc/69/32/37/1433693237.db2.gz ZDRQDXGGJFHPSJ-RTBURBONSA-N 2 2 378.586 3.227 20 0 GGADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247228167 1433693618 /nfs/dbraw/zinc/69/36/18/1433693618.db2.gz YBORMILNNORNSN-XMSQKQJNSA-N 2 2 386.584 3.309 20 0 GGADLP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247228167 1433693621 /nfs/dbraw/zinc/69/36/21/1433693621.db2.gz YBORMILNNORNSN-XMSQKQJNSA-N 2 2 386.584 3.309 20 0 GGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247308992 1433703686 /nfs/dbraw/zinc/70/36/86/1433703686.db2.gz FQOODPQCODTREZ-DUXKGJEZSA-N 2 2 381.524 3.285 20 0 GGADLP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000247313369 1433704337 /nfs/dbraw/zinc/70/43/37/1433704337.db2.gz KFUOHWJYGKBJET-FHWLQOOXSA-N 2 2 388.556 3.101 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000247313369 1433704345 /nfs/dbraw/zinc/70/43/45/1433704345.db2.gz KFUOHWJYGKBJET-FHWLQOOXSA-N 2 2 388.556 3.101 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000247332242 1433708507 /nfs/dbraw/zinc/70/85/07/1433708507.db2.gz JIMYSCLIVOQVFF-RBBKRZOGSA-N 2 2 386.584 3.065 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000247332242 1433708513 /nfs/dbraw/zinc/70/85/13/1433708513.db2.gz JIMYSCLIVOQVFF-RBBKRZOGSA-N 2 2 386.584 3.065 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247334555 1433708874 /nfs/dbraw/zinc/70/88/74/1433708874.db2.gz GMYAIVPXKATPIS-HMXCVIKNSA-N 2 2 381.524 3.313 20 0 GGADLP C[N@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCC1 ZINC000247415333 1433719208 /nfs/dbraw/zinc/71/92/08/1433719208.db2.gz JTJKHDWCEXTXNH-RTWAWAEBSA-N 2 2 381.524 3.285 20 0 GGADLP C[N@@H+](CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C1CCCC1 ZINC000247415333 1433719209 /nfs/dbraw/zinc/71/92/09/1433719209.db2.gz JTJKHDWCEXTXNH-RTWAWAEBSA-N 2 2 381.524 3.285 20 0 GGADLP C[C@H](NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000247419305 1433720065 /nfs/dbraw/zinc/72/00/65/1433720065.db2.gz KCTZBHZHXWZNDH-DBVUQKKJSA-N 2 2 383.540 3.387 20 0 GGADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247420866 1433720228 /nfs/dbraw/zinc/72/02/28/1433720228.db2.gz KGDLVXJLDRDCCP-HBGVWJBISA-N 2 2 392.507 3.252 20 0 GGADLP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247529225 1433733956 /nfs/dbraw/zinc/73/39/56/1433733956.db2.gz OUJFPJOFRIKCIB-HMXCVIKNSA-N 2 2 381.524 3.285 20 0 GGADLP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247529225 1433733957 /nfs/dbraw/zinc/73/39/57/1433733957.db2.gz OUJFPJOFRIKCIB-HMXCVIKNSA-N 2 2 381.524 3.285 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)cc2)C[C@@H](C)O1 ZINC000247618257 1433739930 /nfs/dbraw/zinc/73/99/30/1433739930.db2.gz NACVDOFLZBEKOB-JYLXEMOASA-N 2 2 396.535 3.216 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247773331 1433750180 /nfs/dbraw/zinc/75/01/80/1433750180.db2.gz WKVSQCDWSZFTMW-GUDVDZBRSA-N 2 2 385.512 3.296 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000247773334 1433750304 /nfs/dbraw/zinc/75/03/04/1433750304.db2.gz WKVSQCDWSZFTMW-QRVBRYPASA-N 2 2 385.512 3.296 20 0 GGADLP CC(C)[C@@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)[NH+]1CCC(C)CC1 ZINC000247772120 1433750414 /nfs/dbraw/zinc/75/04/14/1433750414.db2.gz WGOBOHNGOKDSPS-AQNXPRMDSA-N 2 2 375.561 3.232 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931280 1433756947 /nfs/dbraw/zinc/75/69/47/1433756947.db2.gz CBJUBXPGAHUACI-LESCRADOSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931280 1433756951 /nfs/dbraw/zinc/75/69/51/1433756951.db2.gz CBJUBXPGAHUACI-LESCRADOSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931280 1433756956 /nfs/dbraw/zinc/75/69/56/1433756956.db2.gz CBJUBXPGAHUACI-LESCRADOSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931280 1433756960 /nfs/dbraw/zinc/75/69/60/1433756960.db2.gz CBJUBXPGAHUACI-LESCRADOSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247932282 1433757014 /nfs/dbraw/zinc/75/70/14/1433757014.db2.gz CDPRXTYEYURSSO-KEYYUXOJSA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247932282 1433757016 /nfs/dbraw/zinc/75/70/16/1433757016.db2.gz CDPRXTYEYURSSO-KEYYUXOJSA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247932282 1433757019 /nfs/dbraw/zinc/75/70/19/1433757019.db2.gz CDPRXTYEYURSSO-KEYYUXOJSA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247932282 1433757022 /nfs/dbraw/zinc/75/70/22/1433757022.db2.gz CDPRXTYEYURSSO-KEYYUXOJSA-N 2 2 385.430 3.328 20 0 GGADLP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247981285 1433761027 /nfs/dbraw/zinc/76/10/27/1433761027.db2.gz IJPKXZDOPAWHAA-SXSPYAJSSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)cc1 ZINC000247981285 1433761035 /nfs/dbraw/zinc/76/10/35/1433761035.db2.gz IJPKXZDOPAWHAA-SXSPYAJSSA-N 2 2 383.536 3.402 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247994726 1433761906 /nfs/dbraw/zinc/76/19/06/1433761906.db2.gz JUBUDKGGWQJJPE-ZRGWGRIASA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247994726 1433761907 /nfs/dbraw/zinc/76/19/07/1433761907.db2.gz JUBUDKGGWQJJPE-ZRGWGRIASA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247994726 1433761908 /nfs/dbraw/zinc/76/19/08/1433761908.db2.gz JUBUDKGGWQJJPE-ZRGWGRIASA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247994726 1433761913 /nfs/dbraw/zinc/76/19/13/1433761913.db2.gz JUBUDKGGWQJJPE-ZRGWGRIASA-N 2 2 381.923 3.242 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000248071289 1433767781 /nfs/dbraw/zinc/76/77/81/1433767781.db2.gz MOZXIGJUEOWRGP-TYCQWZJGSA-N 2 2 388.506 3.463 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000248071289 1433767784 /nfs/dbraw/zinc/76/77/84/1433767784.db2.gz MOZXIGJUEOWRGP-TYCQWZJGSA-N 2 2 388.506 3.463 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000248071284 1433767801 /nfs/dbraw/zinc/76/78/01/1433767801.db2.gz MOZXIGJUEOWRGP-HBGVWJBISA-N 2 2 388.506 3.463 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](c1c(F)cccc1F)N(C)C ZINC000248071284 1433767806 /nfs/dbraw/zinc/76/78/06/1433767806.db2.gz MOZXIGJUEOWRGP-HBGVWJBISA-N 2 2 388.506 3.463 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@H]21 ZINC000248200182 1433779888 /nfs/dbraw/zinc/77/98/88/1433779888.db2.gz YKJOEFAXLWGDLD-OLMNPRSZSA-N 2 2 381.442 3.227 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@H]21 ZINC000248200182 1433779897 /nfs/dbraw/zinc/77/98/97/1433779897.db2.gz YKJOEFAXLWGDLD-OLMNPRSZSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@H]21 ZINC000248200182 1433779907 /nfs/dbraw/zinc/77/99/07/1433779907.db2.gz YKJOEFAXLWGDLD-OLMNPRSZSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@H]21 ZINC000248200182 1433779913 /nfs/dbraw/zinc/77/99/13/1433779913.db2.gz YKJOEFAXLWGDLD-OLMNPRSZSA-N 2 2 381.442 3.227 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248466694 1433805149 /nfs/dbraw/zinc/80/51/49/1433805149.db2.gz SJOFHFUIELYDPP-JKSUJKDBSA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248466694 1433805151 /nfs/dbraw/zinc/80/51/51/1433805151.db2.gz SJOFHFUIELYDPP-JKSUJKDBSA-N 2 2 397.441 3.133 20 0 GGADLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cc(Br)cc(F)c1O ZINC000248485061 1433805679 /nfs/dbraw/zinc/80/56/79/1433805679.db2.gz DTSTUOGSLJTZGG-OCCSQVGLSA-N 2 2 389.309 3.181 20 0 GGADLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)cc(F)c1O ZINC000248485061 1433805680 /nfs/dbraw/zinc/80/56/80/1433805680.db2.gz DTSTUOGSLJTZGG-OCCSQVGLSA-N 2 2 389.309 3.181 20 0 GGADLP CN(C(=O)Nc1ccc(F)cn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248549957 1433807960 /nfs/dbraw/zinc/80/79/60/1433807960.db2.gz HPFGPAMFIKSRFH-ZWKOTPCHSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccc(F)cn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248549957 1433807961 /nfs/dbraw/zinc/80/79/61/1433807961.db2.gz HPFGPAMFIKSRFH-ZWKOTPCHSA-N 2 2 377.508 3.022 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CC1 ZINC000248553616 1433808041 /nfs/dbraw/zinc/80/80/41/1433808041.db2.gz JOHKZJRCBYWKGJ-TZIWHRDSSA-N 2 2 395.551 3.008 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)C1CC1 ZINC000248553616 1433808042 /nfs/dbraw/zinc/80/80/42/1433808042.db2.gz JOHKZJRCBYWKGJ-TZIWHRDSSA-N 2 2 395.551 3.008 20 0 GGADLP CSC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000248647618 1433813615 /nfs/dbraw/zinc/81/36/15/1433813615.db2.gz IMXHRBHFYUXRMO-RBUKOAKNSA-N 2 2 396.645 3.251 20 0 GGADLP CSC1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000248647618 1433813616 /nfs/dbraw/zinc/81/36/16/1433813616.db2.gz IMXHRBHFYUXRMO-RBUKOAKNSA-N 2 2 396.645 3.251 20 0 GGADLP CN(C(=O)Nc1cccc(F)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248731997 1433818305 /nfs/dbraw/zinc/81/83/05/1433818305.db2.gz OVZOMOJSUZCMDI-DLBZAZTESA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1cccc(F)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248731997 1433818306 /nfs/dbraw/zinc/81/83/06/1433818306.db2.gz OVZOMOJSUZCMDI-DLBZAZTESA-N 2 2 377.508 3.022 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000248860611 1433826227 /nfs/dbraw/zinc/82/62/27/1433826227.db2.gz ADQPBKHAGKCDBX-ICSRJNTNSA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000248860611 1433826228 /nfs/dbraw/zinc/82/62/28/1433826228.db2.gz ADQPBKHAGKCDBX-ICSRJNTNSA-N 2 2 375.557 3.475 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000248929980 1433829686 /nfs/dbraw/zinc/82/96/86/1433829686.db2.gz XRBWVNBMRXBBTI-PGRDOPGGSA-N 2 2 389.503 3.192 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000248929980 1433829687 /nfs/dbraw/zinc/82/96/87/1433829687.db2.gz XRBWVNBMRXBBTI-PGRDOPGGSA-N 2 2 389.503 3.192 20 0 GGADLP O=C1[C@@H]([N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000248944864 1433830161 /nfs/dbraw/zinc/83/01/61/1433830161.db2.gz DFKIGBTZKRRXKY-CTNGQTDRSA-N 2 2 391.506 3.406 20 0 GGADLP O=C1[C@@H]([N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000248944864 1433830162 /nfs/dbraw/zinc/83/01/62/1433830162.db2.gz DFKIGBTZKRRXKY-CTNGQTDRSA-N 2 2 391.506 3.406 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000249113917 1433835943 /nfs/dbraw/zinc/83/59/43/1433835943.db2.gz NPYIVIXEWGZXDG-ODGPQVTHSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000249113917 1433835944 /nfs/dbraw/zinc/83/59/44/1433835944.db2.gz NPYIVIXEWGZXDG-ODGPQVTHSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000249113917 1433835945 /nfs/dbraw/zinc/83/59/45/1433835945.db2.gz NPYIVIXEWGZXDG-ODGPQVTHSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000249113917 1433835946 /nfs/dbraw/zinc/83/59/46/1433835946.db2.gz NPYIVIXEWGZXDG-ODGPQVTHSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192800 1433838540 /nfs/dbraw/zinc/83/85/40/1433838540.db2.gz OUQNLABJRLEYSS-ZAWLATJESA-N 2 2 385.474 3.365 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192800 1433838542 /nfs/dbraw/zinc/83/85/42/1433838542.db2.gz OUQNLABJRLEYSS-ZAWLATJESA-N 2 2 385.474 3.365 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000249200140 1433838719 /nfs/dbraw/zinc/83/87/19/1433838719.db2.gz SQSMQSVPAVYJEC-QFBILLFUSA-N 2 2 384.490 3.156 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000249200140 1433838720 /nfs/dbraw/zinc/83/87/20/1433838720.db2.gz SQSMQSVPAVYJEC-QFBILLFUSA-N 2 2 384.490 3.156 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000249261992 1433839808 /nfs/dbraw/zinc/83/98/08/1433839808.db2.gz ICCNAWLYQFENRF-FUHWJXTLSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000249261992 1433839809 /nfs/dbraw/zinc/83/98/09/1433839809.db2.gz ICCNAWLYQFENRF-FUHWJXTLSA-N 2 2 381.948 3.314 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000249283189 1433840402 /nfs/dbraw/zinc/84/04/02/1433840402.db2.gz HHDLXAAYKPJPAI-OALUTQOASA-N 2 2 399.560 3.204 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000249283189 1433840403 /nfs/dbraw/zinc/84/04/03/1433840403.db2.gz HHDLXAAYKPJPAI-OALUTQOASA-N 2 2 399.560 3.204 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2SC)[C@@H](C)C1 ZINC000249289156 1433840595 /nfs/dbraw/zinc/84/05/95/1433840595.db2.gz MCWAGLMFBCLCJE-KSZLIROESA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2SC)[C@@H](C)C1 ZINC000249289156 1433840597 /nfs/dbraw/zinc/84/05/97/1433840597.db2.gz MCWAGLMFBCLCJE-KSZLIROESA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000249368901 1433841885 /nfs/dbraw/zinc/84/18/85/1433841885.db2.gz OROFRMLBLOSNSS-QFBILLFUSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000249368901 1433841887 /nfs/dbraw/zinc/84/18/87/1433841887.db2.gz OROFRMLBLOSNSS-QFBILLFUSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)[C@H](C)C1 ZINC000249404727 1433842955 /nfs/dbraw/zinc/84/29/55/1433842955.db2.gz CTENVUDXASEVCM-GGPKGHCWSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)[C@H](C)C1 ZINC000249404727 1433842956 /nfs/dbraw/zinc/84/29/56/1433842956.db2.gz CTENVUDXASEVCM-GGPKGHCWSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C)C1 ZINC000249420353 1433843421 /nfs/dbraw/zinc/84/34/21/1433843421.db2.gz HLANWLZFZTXJSI-VDGAXYAQSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C)C1 ZINC000249420353 1433843422 /nfs/dbraw/zinc/84/34/22/1433843422.db2.gz HLANWLZFZTXJSI-VDGAXYAQSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccccc3CC[C@H]2C)[C@H](C)C1 ZINC000249434125 1433843800 /nfs/dbraw/zinc/84/38/00/1433843800.db2.gz KLMLMMMTAWOULA-SBHAEUEKSA-N 2 2 387.568 3.081 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N2c3ccccc3CC[C@H]2C)[C@H](C)C1 ZINC000249434125 1433843803 /nfs/dbraw/zinc/84/38/03/1433843803.db2.gz KLMLMMMTAWOULA-SBHAEUEKSA-N 2 2 387.568 3.081 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000249497882 1433845263 /nfs/dbraw/zinc/84/52/63/1433845263.db2.gz WMHDYEGIROZQAP-RXVVDRJESA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000249497882 1433845264 /nfs/dbraw/zinc/84/52/64/1433845264.db2.gz WMHDYEGIROZQAP-RXVVDRJESA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000249504468 1433845366 /nfs/dbraw/zinc/84/53/66/1433845366.db2.gz YCUHOGXJJHBPNQ-LMMKCTJWSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000249504468 1433845367 /nfs/dbraw/zinc/84/53/67/1433845367.db2.gz YCUHOGXJJHBPNQ-LMMKCTJWSA-N 2 2 379.520 3.188 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250345850 1433855901 /nfs/dbraw/zinc/85/59/01/1433855901.db2.gz XUEJZMVUGSWQGP-RTWAWAEBSA-N 2 2 383.580 3.404 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250345850 1433855902 /nfs/dbraw/zinc/85/59/02/1433855902.db2.gz XUEJZMVUGSWQGP-RTWAWAEBSA-N 2 2 383.580 3.404 20 0 GGADLP C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@H]2C(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000252734313 1433864464 /nfs/dbraw/zinc/86/44/64/1433864464.db2.gz GTDZLJHQWHOPHZ-VGSWGCGISA-N 2 2 389.503 3.495 20 0 GGADLP C[C@@H](Nc1cccc(C[N@H+]2CCC[C@H]2C(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000252734313 1433864465 /nfs/dbraw/zinc/86/44/65/1433864465.db2.gz GTDZLJHQWHOPHZ-VGSWGCGISA-N 2 2 389.503 3.495 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000252743739 1433864768 /nfs/dbraw/zinc/86/47/68/1433864768.db2.gz ATPNOQMBWBWZBL-ZWKOTPCHSA-N 2 2 376.545 3.322 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000252743739 1433864769 /nfs/dbraw/zinc/86/47/69/1433864769.db2.gz ATPNOQMBWBWZBL-ZWKOTPCHSA-N 2 2 376.545 3.322 20 0 GGADLP CSCCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000253191069 1433865097 /nfs/dbraw/zinc/86/50/97/1433865097.db2.gz XITJWHHYBCFIRJ-VQTJNVASSA-N 2 2 398.661 3.498 20 0 GGADLP CSCCCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000253191069 1433865098 /nfs/dbraw/zinc/86/50/98/1433865098.db2.gz XITJWHHYBCFIRJ-VQTJNVASSA-N 2 2 398.661 3.498 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C(C)C)cc1 ZINC000253553903 1433869166 /nfs/dbraw/zinc/86/91/66/1433869166.db2.gz AKMTYULQRPZQGN-FDDCHVKYSA-N 2 2 398.551 3.197 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C(C)C)cc1 ZINC000253553903 1433869167 /nfs/dbraw/zinc/86/91/67/1433869167.db2.gz AKMTYULQRPZQGN-FDDCHVKYSA-N 2 2 398.551 3.197 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255056288 1433875162 /nfs/dbraw/zinc/87/51/62/1433875162.db2.gz SKYCAVBOZVIFRK-YFHOEESVSA-N 2 2 381.524 3.012 20 0 GGADLP C/C(=C/C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000255458609 1433883015 /nfs/dbraw/zinc/88/30/15/1433883015.db2.gz CJQOUUQLPFDHDK-NXVVXOECSA-N 2 2 395.494 3.176 20 0 GGADLP C/C(=C/C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000255458609 1433883016 /nfs/dbraw/zinc/88/30/16/1433883016.db2.gz CJQOUUQLPFDHDK-NXVVXOECSA-N 2 2 395.494 3.176 20 0 GGADLP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)CC1 ZINC000255513775 1433884121 /nfs/dbraw/zinc/88/41/21/1433884121.db2.gz TYHWHGQRKNVJDX-YFHOEESVSA-N 2 2 384.568 3.290 20 0 GGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000261663026 1433898547 /nfs/dbraw/zinc/89/85/47/1433898547.db2.gz IJTAJQWTUAUTOW-YKSBVNFPSA-N 2 2 390.531 3.087 20 0 GGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000261663026 1433898548 /nfs/dbraw/zinc/89/85/48/1433898548.db2.gz IJTAJQWTUAUTOW-YKSBVNFPSA-N 2 2 390.531 3.087 20 0 GGADLP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261758790 1433902004 /nfs/dbraw/zinc/90/20/04/1433902004.db2.gz CSGHEHBNDNXYNV-UHFFFAOYSA-N 2 2 379.430 3.088 20 0 GGADLP c1cc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc(OC2CCCC2)c1 ZINC000261853183 1433907328 /nfs/dbraw/zinc/90/73/28/1433907328.db2.gz XOPJSKPOZIOKNT-UHFFFAOYSA-N 2 2 381.524 3.082 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000262213409 1433930952 /nfs/dbraw/zinc/93/09/52/1433930952.db2.gz LTSLNCPBUNRYFZ-CVEARBPZSA-N 2 2 377.410 3.318 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C[C@H]1c1ccccc1 ZINC000262213409 1433930955 /nfs/dbraw/zinc/93/09/55/1433930955.db2.gz LTSLNCPBUNRYFZ-CVEARBPZSA-N 2 2 377.410 3.318 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262280656 1433933555 /nfs/dbraw/zinc/93/35/55/1433933555.db2.gz LTGFJVGSQQOOBC-SYURHXKASA-N 2 2 384.568 3.300 20 0 GGADLP CSc1ccc([C@H](CNC(=O)[C@H](C)C[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000262349180 1433936234 /nfs/dbraw/zinc/93/62/34/1433936234.db2.gz IURZMHXVOCITRG-KDOFPFPSSA-N 2 2 389.590 3.280 20 0 GGADLP CSc1ccc([C@H](CNC(=O)[C@H](C)C[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000262349180 1433936235 /nfs/dbraw/zinc/93/62/35/1433936235.db2.gz IURZMHXVOCITRG-KDOFPFPSSA-N 2 2 389.590 3.280 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H](C)O1 ZINC000262395963 1433937662 /nfs/dbraw/zinc/93/76/62/1433937662.db2.gz OTOWGFDLFSZWFM-XSJQEUCJSA-N 2 2 385.552 3.388 20 0 GGADLP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262653611 1433947989 /nfs/dbraw/zinc/94/79/89/1433947989.db2.gz BEIIVJRSDJGYJT-AZUAARDMSA-N 2 2 389.902 3.130 20 0 GGADLP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262653611 1433947993 /nfs/dbraw/zinc/94/79/93/1433947993.db2.gz BEIIVJRSDJGYJT-AZUAARDMSA-N 2 2 389.902 3.130 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000262654122 1433948047 /nfs/dbraw/zinc/94/80/47/1433948047.db2.gz SRYUHMALWAQXML-SPEDKVCISA-N 2 2 381.520 3.237 20 0 GGADLP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1(C)C ZINC000262812580 1433958147 /nfs/dbraw/zinc/95/81/47/1433958147.db2.gz VRBOJOAYRWPYHJ-AVRDEDQJSA-N 2 2 382.508 3.357 20 0 GGADLP [NH3+]Cc1cc(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)co1 ZINC000262815859 1433958183 /nfs/dbraw/zinc/95/81/83/1433958183.db2.gz WLMMVOOHTBKGFZ-LJQANCHMSA-N 2 2 381.501 3.329 20 0 GGADLP [NH3+]Cc1cc(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)co1 ZINC000262815859 1433958184 /nfs/dbraw/zinc/95/81/84/1433958184.db2.gz WLMMVOOHTBKGFZ-LJQANCHMSA-N 2 2 381.501 3.329 20 0 GGADLP [NH3+]Cc1cc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)co1 ZINC000262815857 1433958198 /nfs/dbraw/zinc/95/81/98/1433958198.db2.gz WLMMVOOHTBKGFZ-IBGZPJMESA-N 2 2 381.501 3.329 20 0 GGADLP [NH3+]Cc1cc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)co1 ZINC000262815857 1433958199 /nfs/dbraw/zinc/95/81/99/1433958199.db2.gz WLMMVOOHTBKGFZ-IBGZPJMESA-N 2 2 381.501 3.329 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000262820517 1433958942 /nfs/dbraw/zinc/95/89/42/1433958942.db2.gz WVMHRVQGMAAXSQ-OFNKIYASSA-N 2 2 381.520 3.213 20 0 GGADLP C[C@@]([NH3+])(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858228 1433961830 /nfs/dbraw/zinc/96/18/30/1433961830.db2.gz KWKGBXLFWAIZLW-QUCCMNQESA-N 2 2 391.437 3.270 20 0 GGADLP C[C@@]([NH3+])(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000262858228 1433961833 /nfs/dbraw/zinc/96/18/33/1433961833.db2.gz KWKGBXLFWAIZLW-QUCCMNQESA-N 2 2 391.437 3.270 20 0 GGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)C[C@@H](C)O1 ZINC000263751996 1434029300 /nfs/dbraw/zinc/02/93/00/1434029300.db2.gz PHXDTGLLWKBXOG-HUUCEWRRSA-N 2 2 376.526 3.119 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000263752331 1434029358 /nfs/dbraw/zinc/02/93/58/1434029358.db2.gz FTQQBLZYWLXITK-HSZRJFAPSA-N 2 2 398.595 3.352 20 0 GGADLP COCCC[NH+]1CCC([NH2+]Cc2cc(OC)ccc2OCc2ccccn2)CC1 ZINC000263821654 1434037971 /nfs/dbraw/zinc/03/79/71/1434037971.db2.gz YEVMRPQPSQDXIU-UHFFFAOYSA-N 2 2 399.535 3.260 20 0 GGADLP CC[NH+]1CCC(n2nccc2NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000263919255 1434048915 /nfs/dbraw/zinc/04/89/15/1434048915.db2.gz YSWSPWUCFDMEEZ-UHFFFAOYSA-N 2 2 378.480 3.037 20 0 GGADLP CC(C)[N@@H+]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263955243 1434053113 /nfs/dbraw/zinc/05/31/13/1434053113.db2.gz NEWJHPRSDVVBNY-RTBURBONSA-N 2 2 388.556 3.244 20 0 GGADLP CC(C)[N@H+]1CCCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263955243 1434053115 /nfs/dbraw/zinc/05/31/15/1434053115.db2.gz NEWJHPRSDVVBNY-RTBURBONSA-N 2 2 388.556 3.244 20 0 GGADLP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263962469 1434054374 /nfs/dbraw/zinc/05/43/74/1434054374.db2.gz RHXGJVLVIUFMMV-SJORKVTESA-N 2 2 387.553 3.272 20 0 GGADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263962469 1434054376 /nfs/dbraw/zinc/05/43/76/1434054376.db2.gz RHXGJVLVIUFMMV-SJORKVTESA-N 2 2 387.553 3.272 20 0 GGADLP COc1cccc([C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCC2)c1 ZINC000263967228 1434055166 /nfs/dbraw/zinc/05/51/66/1434055166.db2.gz UWKTUYSWWLLZRI-QUCCMNQESA-N 2 2 397.523 3.144 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000264007781 1434061191 /nfs/dbraw/zinc/06/11/91/1434061191.db2.gz DVFFKVKPYIVWOP-GOSISDBHSA-N 2 2 385.474 3.207 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000264007781 1434061193 /nfs/dbraw/zinc/06/11/93/1434061193.db2.gz DVFFKVKPYIVWOP-GOSISDBHSA-N 2 2 385.474 3.207 20 0 GGADLP CC[NH+](CC)[C@H](C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1)c1ccccc1 ZINC000264106104 1434072287 /nfs/dbraw/zinc/07/22/87/1434072287.db2.gz NWYBPJJLEFZYHP-NRFANRHFSA-N 2 2 377.492 3.275 20 0 GGADLP CC(C)N(Cc1ccccc1F)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000264151830 1434075944 /nfs/dbraw/zinc/07/59/44/1434075944.db2.gz ZJICWFLYLNAWAV-UHFFFAOYSA-N 2 2 390.547 3.304 20 0 GGADLP C[C@@H](c1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000264197565 1434081038 /nfs/dbraw/zinc/08/10/38/1434081038.db2.gz DGPRXXZQFCZKQA-QFBILLFUSA-N 2 2 386.496 3.097 20 0 GGADLP CC[NH+](CC)[C@@H](C(=O)NCc1cccnc1-n1cc[nH+]c1C)c1ccccc1 ZINC000264230858 1434085002 /nfs/dbraw/zinc/08/50/02/1434085002.db2.gz MFFGRXUYOFVIQN-HXUWFJFHSA-N 2 2 377.492 3.275 20 0 GGADLP CC(C)Oc1ccc([C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000264273580 1434090875 /nfs/dbraw/zinc/09/08/75/1434090875.db2.gz PMVIMUJNOTYASM-GOSISDBHSA-N 2 2 390.572 3.202 20 0 GGADLP CC(C)Oc1ccc([C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000264273580 1434090879 /nfs/dbraw/zinc/09/08/79/1434090879.db2.gz PMVIMUJNOTYASM-GOSISDBHSA-N 2 2 390.572 3.202 20 0 GGADLP CC(C)Oc1ccc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000264273581 1434090989 /nfs/dbraw/zinc/09/09/89/1434090989.db2.gz PMVIMUJNOTYASM-SFHVURJKSA-N 2 2 390.572 3.202 20 0 GGADLP CC(C)Oc1ccc([C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000264273581 1434090991 /nfs/dbraw/zinc/09/09/91/1434090991.db2.gz PMVIMUJNOTYASM-SFHVURJKSA-N 2 2 390.572 3.202 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000264276761 1434091449 /nfs/dbraw/zinc/09/14/49/1434091449.db2.gz QPXDTIBMNXPPGD-OAQYLSRUSA-N 2 2 381.524 3.091 20 0 GGADLP C[C@@H](c1cccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)c1)[NH+]1CCOCC1 ZINC000264279007 1434091717 /nfs/dbraw/zinc/09/17/17/1434091717.db2.gz WDJLNMXSTJGDKK-KRWDZBQOSA-N 2 2 386.540 3.076 20 0 GGADLP CCc1cc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc(-c2ccncc2)n1 ZINC000264542785 1434125915 /nfs/dbraw/zinc/12/59/15/1434125915.db2.gz CXQJCHQVHWXOGF-UHFFFAOYSA-N 2 2 380.540 3.072 20 0 GGADLP Cc1ccccc1[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000264882173 1434161879 /nfs/dbraw/zinc/16/18/79/1434161879.db2.gz USGWPAJCVHFAPH-JOCHJYFZSA-N 2 2 384.568 3.304 20 0 GGADLP CC(=O)c1ccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)o2)cc1 ZINC000264951629 1434167189 /nfs/dbraw/zinc/16/71/89/1434167189.db2.gz YCURRDVSVHYEGM-UHFFFAOYSA-N 2 2 397.519 3.247 20 0 GGADLP CC(=O)c1ccc(-c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)o2)cc1 ZINC000264951629 1434167190 /nfs/dbraw/zinc/16/71/90/1434167190.db2.gz YCURRDVSVHYEGM-UHFFFAOYSA-N 2 2 397.519 3.247 20 0 GGADLP CN(C)c1[nH+]cc(CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)n1C ZINC000265126795 1434187910 /nfs/dbraw/zinc/18/79/10/1434187910.db2.gz PQRJXRWNHDSRGO-UHFFFAOYSA-N 2 2 391.519 3.048 20 0 GGADLP CN(C)c1[nH+]cc(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)n1C ZINC000265126795 1434187912 /nfs/dbraw/zinc/18/79/12/1434187912.db2.gz PQRJXRWNHDSRGO-UHFFFAOYSA-N 2 2 391.519 3.048 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000265137416 1434189448 /nfs/dbraw/zinc/18/94/48/1434189448.db2.gz AVQIBAYCWQGKCH-FQEVSTJZSA-N 2 2 392.547 3.199 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cn2c1 ZINC000266117544 1434304993 /nfs/dbraw/zinc/30/49/93/1434304993.db2.gz IKGAMDIVSWDLMA-GOSISDBHSA-N 2 2 386.565 3.210 20 0 GGADLP c1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(OC4CCOCC4)c3)CC2)cc1 ZINC000266184353 1434309116 /nfs/dbraw/zinc/30/91/16/1434309116.db2.gz GSPBAHCLISDMDU-UHFFFAOYSA-N 2 2 381.520 3.394 20 0 GGADLP CCCC[NH+]1CCC(NC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000266431060 1434335606 /nfs/dbraw/zinc/33/56/06/1434335606.db2.gz MZMYSJULHCEKJL-SFHVURJKSA-N 2 2 388.556 3.466 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000266708224 1434365852 /nfs/dbraw/zinc/36/58/52/1434365852.db2.gz HUGRFXMCISQEON-HXUWFJFHSA-N 2 2 390.959 3.355 20 0 GGADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000266838368 1434380600 /nfs/dbraw/zinc/38/06/00/1434380600.db2.gz LWKLGRLBFLTPAZ-OAQYLSRUSA-N 2 2 389.503 3.247 20 0 GGADLP Cc1[nH+]ccn1-c1ncccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000266838368 1434380602 /nfs/dbraw/zinc/38/06/02/1434380602.db2.gz LWKLGRLBFLTPAZ-OAQYLSRUSA-N 2 2 389.503 3.247 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000266904321 1434387219 /nfs/dbraw/zinc/38/72/19/1434387219.db2.gz HHUNUVXEYNBGFF-HSZRJFAPSA-N 2 2 392.547 3.004 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000266904321 1434387222 /nfs/dbraw/zinc/38/72/22/1434387222.db2.gz HHUNUVXEYNBGFF-HSZRJFAPSA-N 2 2 392.547 3.004 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000267025563 1434399961 /nfs/dbraw/zinc/39/99/61/1434399961.db2.gz CNVWQPRDNIIKHW-UHFFFAOYSA-N 2 2 387.553 3.300 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000267025563 1434399962 /nfs/dbraw/zinc/39/99/62/1434399962.db2.gz CNVWQPRDNIIKHW-UHFFFAOYSA-N 2 2 387.553 3.300 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000267301964 1434420700 /nfs/dbraw/zinc/42/07/00/1434420700.db2.gz AKLNZIBZHLPFFA-GHTZIAJQSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000267301964 1434420701 /nfs/dbraw/zinc/42/07/01/1434420701.db2.gz AKLNZIBZHLPFFA-GHTZIAJQSA-N 2 2 381.524 3.140 20 0 GGADLP C/C(=C\C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)c1 ZINC000267395787 1434428948 /nfs/dbraw/zinc/42/89/48/1434428948.db2.gz WEMWIFPETLAOEJ-JQIJEIRASA-N 2 2 375.944 3.418 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000267442283 1434433780 /nfs/dbraw/zinc/43/37/80/1434433780.db2.gz PHTOBGMZZVVVEE-GOSISDBHSA-N 2 2 389.503 3.386 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000267442283 1434433783 /nfs/dbraw/zinc/43/37/83/1434433783.db2.gz PHTOBGMZZVVVEE-GOSISDBHSA-N 2 2 389.503 3.386 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000267527782 1434443578 /nfs/dbraw/zinc/44/35/78/1434443578.db2.gz UFZRTHOKPWYSAT-YZGWKJHDSA-N 2 2 381.524 3.352 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1Cc1ccccc1 ZINC000267527782 1434443579 /nfs/dbraw/zinc/44/35/79/1434443579.db2.gz UFZRTHOKPWYSAT-YZGWKJHDSA-N 2 2 381.524 3.352 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000267527780 1434443742 /nfs/dbraw/zinc/44/37/42/1434443742.db2.gz UFZRTHOKPWYSAT-MISYRCLQSA-N 2 2 381.524 3.352 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1Cc1ccccc1 ZINC000267527780 1434443744 /nfs/dbraw/zinc/44/37/44/1434443744.db2.gz UFZRTHOKPWYSAT-MISYRCLQSA-N 2 2 381.524 3.352 20 0 GGADLP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000267828195 1434468760 /nfs/dbraw/zinc/46/87/60/1434468760.db2.gz IHDJOGNVXMXKEP-UHFFFAOYSA-N 2 2 397.548 3.266 20 0 GGADLP C[NH+](C)Cc1ccsc1C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000267999999 1434485834 /nfs/dbraw/zinc/48/58/34/1434485834.db2.gz CNIBRJLMXUKPBD-UHFFFAOYSA-N 2 2 393.503 3.482 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000268279742 1434507794 /nfs/dbraw/zinc/50/77/94/1434507794.db2.gz YACNRLIPRUYSJN-GOSISDBHSA-N 2 2 385.512 3.062 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)C1 ZINC000268279742 1434507795 /nfs/dbraw/zinc/50/77/95/1434507795.db2.gz YACNRLIPRUYSJN-GOSISDBHSA-N 2 2 385.512 3.062 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268291220 1434509303 /nfs/dbraw/zinc/50/93/03/1434509303.db2.gz BJTYYFOSDPGHJC-MXNKGDRCSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000268291220 1434509305 /nfs/dbraw/zinc/50/93/05/1434509305.db2.gz BJTYYFOSDPGHJC-MXNKGDRCSA-N 2 2 395.551 3.386 20 0 GGADLP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268550893 1434532739 /nfs/dbraw/zinc/53/27/39/1434532739.db2.gz MMRMDDDWEFPATQ-UHFFFAOYSA-N 2 2 385.434 3.140 20 0 GGADLP C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC[C@H]4CCCC[N@@H+]4C)CC3)cc2NC1=O ZINC000268578907 1434535916 /nfs/dbraw/zinc/53/59/16/1434535916.db2.gz SSPNVOZLRIIJPZ-VQIMIIECSA-N 2 2 399.535 3.175 20 0 GGADLP C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CC[C@H]4CCCC[N@H+]4C)CC3)cc2NC1=O ZINC000268578907 1434535918 /nfs/dbraw/zinc/53/59/18/1434535918.db2.gz SSPNVOZLRIIJPZ-VQIMIIECSA-N 2 2 399.535 3.175 20 0 GGADLP COCCOc1ncccc1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268769510 1434555015 /nfs/dbraw/zinc/55/50/15/1434555015.db2.gz KYQMPRQQROZPBM-UHFFFAOYSA-N 2 2 387.499 3.043 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCSc4ccccc43)cc2)CC1 ZINC000268805798 1434559337 /nfs/dbraw/zinc/55/93/37/1434559337.db2.gz JEHRIBDQARNOND-HXUWFJFHSA-N 2 2 381.545 3.401 20 0 GGADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000268813812 1434560194 /nfs/dbraw/zinc/56/01/94/1434560194.db2.gz FPFGWHLAEQQBJW-RHSMWYFYSA-N 2 2 375.538 3.234 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1N(C)C ZINC000268829500 1434562313 /nfs/dbraw/zinc/56/23/13/1434562313.db2.gz QKEOLKHMCVJFBV-KRWDZBQOSA-N 2 2 398.526 3.130 20 0 GGADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCC2 ZINC000268849984 1434564452 /nfs/dbraw/zinc/56/44/52/1434564452.db2.gz WJYSDAJXZQYKJQ-GOSISDBHSA-N 2 2 384.549 3.006 20 0 GGADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000268851139 1434564489 /nfs/dbraw/zinc/56/44/89/1434564489.db2.gz BSCVFVGVOPGULO-HNNXBMFYSA-N 2 2 386.927 3.141 20 0 GGADLP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268853786 1434564805 /nfs/dbraw/zinc/56/48/05/1434564805.db2.gz WWHNNUITMSMGAD-QFIPXVFZSA-N 2 2 393.531 3.386 20 0 GGADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(F)c1 ZINC000268865058 1434565875 /nfs/dbraw/zinc/56/58/75/1434565875.db2.gz ZVJCWLGGQALQPZ-INIZCTEOSA-N 2 2 385.483 3.073 20 0 GGADLP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000268869597 1434566351 /nfs/dbraw/zinc/56/63/51/1434566351.db2.gz HGHBNDOIRDEKMO-QHCPKHFHSA-N 2 2 390.531 3.079 20 0 GGADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1SC(F)F ZINC000268903878 1434569385 /nfs/dbraw/zinc/56/93/85/1434569385.db2.gz LJYVGOCDBDNOFG-GXTWGEPZSA-N 2 2 387.496 3.000 20 0 GGADLP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1SC(F)F ZINC000268903878 1434569387 /nfs/dbraw/zinc/56/93/87/1434569387.db2.gz LJYVGOCDBDNOFG-GXTWGEPZSA-N 2 2 387.496 3.000 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1)[NH+]1CCOCC1 ZINC000268964100 1434576174 /nfs/dbraw/zinc/57/61/74/1434576174.db2.gz YIRNBNYLGCRVCP-YFVAEKQCSA-N 2 2 386.540 3.028 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1)[NH+]1CCOCC1 ZINC000268964100 1434576179 /nfs/dbraw/zinc/57/61/79/1434576179.db2.gz YIRNBNYLGCRVCP-YFVAEKQCSA-N 2 2 386.540 3.028 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(N4CCCC4)nc3)[nH+]c2)CC1 ZINC000269104105 1434592642 /nfs/dbraw/zinc/59/26/42/1434592642.db2.gz ADFWMWSQCXREDB-UHFFFAOYSA-N 2 2 380.540 3.219 20 0 GGADLP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)cc1 ZINC000269289099 1434618493 /nfs/dbraw/zinc/61/84/93/1434618493.db2.gz ABTRVZFRTTWFFY-UHFFFAOYSA-N 2 2 382.508 3.321 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000269619774 1434664141 /nfs/dbraw/zinc/66/41/41/1434664141.db2.gz QHFNTCUFDYVGMS-GOSISDBHSA-N 2 2 389.503 3.282 20 0 GGADLP CC1CC[NH+](C2CCC(NC(=O)c3ccccc3C[NH+]3CCOCC3)CC2)CC1 ZINC000269831547 1434679707 /nfs/dbraw/zinc/67/97/07/1434679707.db2.gz ZHDFXXVWCCGEGO-UHFFFAOYSA-N 2 2 399.579 3.292 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCc4c3c(F)ccc4F)cc2)CC1 ZINC000269840787 1434680400 /nfs/dbraw/zinc/68/04/00/1434680400.db2.gz NLMGUHGWHBEGBE-FQEVSTJZSA-N 2 2 385.458 3.130 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCc4c3c(F)ccc4F)cc2)CC1 ZINC000269840790 1434680435 /nfs/dbraw/zinc/68/04/35/1434680435.db2.gz NLMGUHGWHBEGBE-HXUWFJFHSA-N 2 2 385.458 3.130 20 0 GGADLP CC(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000270027183 1434694446 /nfs/dbraw/zinc/69/44/46/1434694446.db2.gz GFOFNBYQLYAPCW-VXKWHMMOSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000270027183 1434694448 /nfs/dbraw/zinc/69/44/48/1434694448.db2.gz GFOFNBYQLYAPCW-VXKWHMMOSA-N 2 2 385.552 3.298 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000270071029 1434699269 /nfs/dbraw/zinc/69/92/69/1434699269.db2.gz UGEXJQUHNIIAHE-VQTJNVASSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000270071029 1434699270 /nfs/dbraw/zinc/69/92/70/1434699270.db2.gz UGEXJQUHNIIAHE-VQTJNVASSA-N 2 2 391.531 3.244 20 0 GGADLP C[NH+]1CCC([C@H]2CCN(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)C2)CC1 ZINC000270133304 1434706357 /nfs/dbraw/zinc/70/63/57/1434706357.db2.gz KFJYEVOIVRNPNH-IBGZPJMESA-N 2 2 397.523 3.158 20 0 GGADLP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270173280 1434709276 /nfs/dbraw/zinc/70/92/76/1434709276.db2.gz BTLZZDQKEWRQNY-SFHVURJKSA-N 2 2 397.523 3.080 20 0 GGADLP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270216404 1434713788 /nfs/dbraw/zinc/71/37/88/1434713788.db2.gz GWHAXKNQNWTVSS-QGZVFWFLSA-N 2 2 379.508 3.407 20 0 GGADLP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC000270216404 1434713793 /nfs/dbraw/zinc/71/37/93/1434713793.db2.gz GWHAXKNQNWTVSS-QGZVFWFLSA-N 2 2 379.508 3.407 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3CCC(F)(F)F)CC2)CC1 ZINC000270349168 1434725261 /nfs/dbraw/zinc/72/52/61/1434725261.db2.gz NSAPKHFVYZDALU-UHFFFAOYSA-N 2 2 397.485 3.470 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000270433454 1434732648 /nfs/dbraw/zinc/73/26/48/1434732648.db2.gz IOMJVRRZTPGQMH-OAQYLSRUSA-N 2 2 392.503 3.184 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000270433454 1434732650 /nfs/dbraw/zinc/73/26/50/1434732650.db2.gz IOMJVRRZTPGQMH-OAQYLSRUSA-N 2 2 392.503 3.184 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270613647 1434751188 /nfs/dbraw/zinc/75/11/88/1434751188.db2.gz YVKXUKYKXWWQLL-QIIPPGSGSA-N 2 2 393.894 3.056 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270613647 1434751192 /nfs/dbraw/zinc/75/11/92/1434751192.db2.gz YVKXUKYKXWWQLL-QIIPPGSGSA-N 2 2 393.894 3.056 20 0 GGADLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000270858760 1434782151 /nfs/dbraw/zinc/78/21/51/1434782151.db2.gz JNQLAVFRAMTUMV-CQSZACIVSA-N 2 2 378.402 3.133 20 0 GGADLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000270858760 1434782158 /nfs/dbraw/zinc/78/21/58/1434782158.db2.gz JNQLAVFRAMTUMV-CQSZACIVSA-N 2 2 378.402 3.133 20 0 GGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC000270944233 1434789864 /nfs/dbraw/zinc/78/98/64/1434789864.db2.gz RXSBQAOGPDHRDL-UHFFFAOYSA-N 2 2 386.584 3.041 20 0 GGADLP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccncc1 ZINC000271018945 1434796228 /nfs/dbraw/zinc/79/62/28/1434796228.db2.gz NNBPYGRYQWUWAT-UHFFFAOYSA-N 2 2 384.549 3.091 20 0 GGADLP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccncc1 ZINC000271018945 1434796229 /nfs/dbraw/zinc/79/62/29/1434796229.db2.gz NNBPYGRYQWUWAT-UHFFFAOYSA-N 2 2 384.549 3.091 20 0 GGADLP C[C@@H](CC(=O)Nc1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000271188781 1434806979 /nfs/dbraw/zinc/80/69/79/1434806979.db2.gz BVYICTVFIIYLFZ-KRWDZBQOSA-N 2 2 381.524 3.441 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc4ccc(Cl)cc4n3C)CC2)CC1 ZINC000271232126 1434809715 /nfs/dbraw/zinc/80/97/15/1434809715.db2.gz UVLASWXIGHWSMO-UHFFFAOYSA-N 2 2 389.975 3.217 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000271523733 1434831849 /nfs/dbraw/zinc/83/18/49/1434831849.db2.gz WCYWFLHQYSEOSF-INIZCTEOSA-N 2 2 398.576 3.260 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000271791751 1434850933 /nfs/dbraw/zinc/85/09/33/1434850933.db2.gz JBVZYDSQJUWDFQ-UHFFFAOYSA-N 3 2 375.557 3.034 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000271791751 1434850936 /nfs/dbraw/zinc/85/09/36/1434850936.db2.gz JBVZYDSQJUWDFQ-UHFFFAOYSA-N 3 2 375.557 3.034 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000271793292 1434851002 /nfs/dbraw/zinc/85/10/02/1434851002.db2.gz JMZXWGJZJYAHFT-QUCCMNQESA-N 2 2 380.916 3.177 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)CC1 ZINC000271793287 1434851078 /nfs/dbraw/zinc/85/10/78/1434851078.db2.gz JMZXWGJZJYAHFT-ICSRJNTNSA-N 2 2 380.916 3.177 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Oc3ccccc3)nc2)CC1 ZINC000271804896 1434851750 /nfs/dbraw/zinc/85/17/50/1434851750.db2.gz LWZZFIMDTOKHER-UHFFFAOYSA-N 2 2 383.492 3.381 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000271840297 1434854176 /nfs/dbraw/zinc/85/41/76/1434854176.db2.gz SVEUVOWIRURILM-UHFFFAOYSA-N 2 2 388.430 3.135 20 0 GGADLP C[C@@H](CC(=O)N(C)c1ccccc1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272152970 1434875142 /nfs/dbraw/zinc/87/51/42/1434875142.db2.gz ATWOEEZHFSBDIA-SFHVURJKSA-N 2 2 395.551 3.466 20 0 GGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000272152799 1434875212 /nfs/dbraw/zinc/87/52/12/1434875212.db2.gz AQIAOYIPLZEPAP-PGRDOPGGSA-N 2 2 395.551 3.232 20 0 GGADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(F)cc2)c1 ZINC000272231632 1434880086 /nfs/dbraw/zinc/88/00/86/1434880086.db2.gz DWEQOWYODFWHLD-FQEVSTJZSA-N 2 2 387.480 3.195 20 0 GGADLP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)[C@@H]2C1 ZINC000272239419 1434880804 /nfs/dbraw/zinc/88/08/04/1434880804.db2.gz AKXWZNIDJYTXMB-OXJNMPFZSA-N 2 2 377.492 3.160 20 0 GGADLP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)[C@@H]2C1 ZINC000272239419 1434880805 /nfs/dbraw/zinc/88/08/05/1434880805.db2.gz AKXWZNIDJYTXMB-OXJNMPFZSA-N 2 2 377.492 3.160 20 0 GGADLP Cc1cc2ncc([C@H](C)Nc3ccc(N4CC[C@H]([NH+](C)C)C4)c[nH+]3)c(C)n2n1 ZINC000272259581 1434882121 /nfs/dbraw/zinc/88/21/21/1434882121.db2.gz LPUWMEBQUIZHKR-YJBOKZPZSA-N 2 2 379.512 3.055 20 0 GGADLP C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272335210 1434888006 /nfs/dbraw/zinc/88/80/06/1434888006.db2.gz NMHSMOGDCDTCAW-FXAWDEMLSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272335210 1434888007 /nfs/dbraw/zinc/88/80/07/1434888007.db2.gz NMHSMOGDCDTCAW-FXAWDEMLSA-N 2 2 377.492 3.044 20 0 GGADLP O=C1CCCN1Cc1cccc(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272601087 1434913377 /nfs/dbraw/zinc/91/33/77/1434913377.db2.gz UHWYRQNXDUTIMS-UHFFFAOYSA-N 2 2 383.458 3.315 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272819179 1434933647 /nfs/dbraw/zinc/93/36/47/1434933647.db2.gz OLVRYEVJKHJRIW-NQIIRXRSSA-N 2 2 386.561 3.231 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272819179 1434933649 /nfs/dbraw/zinc/93/36/49/1434933649.db2.gz OLVRYEVJKHJRIW-NQIIRXRSSA-N 2 2 386.561 3.231 20 0 GGADLP Cc1ccncc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000273045693 1434954709 /nfs/dbraw/zinc/95/47/09/1434954709.db2.gz PXLHJTLZCMGBHT-CXNSYNGHSA-N 2 2 384.568 3.199 20 0 GGADLP Cc1ccncc1/C=C/C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000273045693 1434954712 /nfs/dbraw/zinc/95/47/12/1434954712.db2.gz PXLHJTLZCMGBHT-CXNSYNGHSA-N 2 2 384.568 3.199 20 0 GGADLP CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)sc2C1 ZINC000273086930 1434959450 /nfs/dbraw/zinc/95/94/50/1434959450.db2.gz YZEKRWSAMBLTIW-UHFFFAOYSA-N 2 2 381.505 3.407 20 0 GGADLP CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)sc2C1 ZINC000273086930 1434959451 /nfs/dbraw/zinc/95/94/51/1434959451.db2.gz YZEKRWSAMBLTIW-UHFFFAOYSA-N 2 2 381.505 3.407 20 0 GGADLP C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000273267285 1434976637 /nfs/dbraw/zinc/97/66/37/1434976637.db2.gz NZHSDLDCBCGOIX-DYESRHJHSA-N 2 2 375.476 3.109 20 0 GGADLP CS[C@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H]1[NH+](C)C ZINC000273906067 1435027396 /nfs/dbraw/zinc/02/73/96/1435027396.db2.gz SWIWFUSLTQRUJJ-MOPGFXCFSA-N 2 2 397.548 3.111 20 0 GGADLP CS[C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@@H]1[NH+](C)C ZINC000273906072 1435027503 /nfs/dbraw/zinc/02/75/03/1435027503.db2.gz SWIWFUSLTQRUJJ-RBUKOAKNSA-N 2 2 397.548 3.111 20 0 GGADLP CS[C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H]1[NH+](C)C ZINC000273906075 1435027507 /nfs/dbraw/zinc/02/75/07/1435027507.db2.gz SWIWFUSLTQRUJJ-RTBURBONSA-N 2 2 397.548 3.111 20 0 GGADLP OCC[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](CCO)c2ccco2)c1)c1ccco1 ZINC000274368890 1435065765 /nfs/dbraw/zinc/06/57/65/1435065765.db2.gz AJDLCJZOXLPDNC-BGYRXZFFSA-N 2 2 384.476 3.299 20 0 GGADLP CCn1nc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c2ccccc21 ZINC000274418530 1435069310 /nfs/dbraw/zinc/06/93/10/1435069310.db2.gz JOMJMBSGYYGCPB-UHFFFAOYSA-N 2 2 394.519 3.057 20 0 GGADLP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000274655271 1435083379 /nfs/dbraw/zinc/08/33/79/1435083379.db2.gz MESIZLWIJXJNOO-KRWDZBQOSA-N 2 2 388.471 3.096 20 0 GGADLP Cc1c(-c2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)on2)cnn1C ZINC000274788717 1435092610 /nfs/dbraw/zinc/09/26/10/1435092610.db2.gz BLKSSCXTCJFALL-IIBYNOLFSA-N 2 2 379.508 3.384 20 0 GGADLP Cc1c(-c2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)on2)cnn1C ZINC000274788717 1435092612 /nfs/dbraw/zinc/09/26/12/1435092612.db2.gz BLKSSCXTCJFALL-IIBYNOLFSA-N 2 2 379.508 3.384 20 0 GGADLP CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274808968 1435094540 /nfs/dbraw/zinc/09/45/40/1435094540.db2.gz HLFYTSWNVCAEKA-VGOFRKELSA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274808968 1435094541 /nfs/dbraw/zinc/09/45/41/1435094541.db2.gz HLFYTSWNVCAEKA-VGOFRKELSA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000274817484 1435095256 /nfs/dbraw/zinc/09/52/56/1435095256.db2.gz JEDSQMSBTBVDRK-VGOFRKELSA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000274817484 1435095261 /nfs/dbraw/zinc/09/52/61/1435095261.db2.gz JEDSQMSBTBVDRK-VGOFRKELSA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274817476 1435095295 /nfs/dbraw/zinc/09/52/95/1435095295.db2.gz JEDSQMSBTBVDRK-HTAPYJJXSA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274817476 1435095296 /nfs/dbraw/zinc/09/52/96/1435095296.db2.gz JEDSQMSBTBVDRK-HTAPYJJXSA-N 2 2 379.504 3.328 20 0 GGADLP COC(=O)c1ccc(COc2ccc(C[NH2+][C@H](C)Cn3cc[nH+]c3)cc2OC)o1 ZINC000274841532 1435097164 /nfs/dbraw/zinc/09/71/64/1435097164.db2.gz MOBQFJGEBVDZGX-OAHLLOKOSA-N 2 2 399.447 3.029 20 0 GGADLP Cc1csc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)cc(=O)n12 ZINC000274852224 1435097838 /nfs/dbraw/zinc/09/78/38/1435097838.db2.gz RJMNLVIRCQTQDL-DNVCBOLYSA-N 2 2 382.533 3.065 20 0 GGADLP Cc1csc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)cc(=O)n12 ZINC000274852224 1435097840 /nfs/dbraw/zinc/09/78/40/1435097840.db2.gz RJMNLVIRCQTQDL-DNVCBOLYSA-N 2 2 382.533 3.065 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)nc12 ZINC000274861631 1435098768 /nfs/dbraw/zinc/09/87/68/1435098768.db2.gz UKFVOSXHWOABJD-GHTZIAJQSA-N 2 2 376.504 3.003 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)nc12 ZINC000274861631 1435098770 /nfs/dbraw/zinc/09/87/70/1435098770.db2.gz UKFVOSXHWOABJD-GHTZIAJQSA-N 2 2 376.504 3.003 20 0 GGADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274868703 1435099291 /nfs/dbraw/zinc/09/92/91/1435099291.db2.gz WMCCBKUNTQINAX-HTAPYJJXSA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274868703 1435099292 /nfs/dbraw/zinc/09/92/92/1435099292.db2.gz WMCCBKUNTQINAX-HTAPYJJXSA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274868714 1435099302 /nfs/dbraw/zinc/09/93/02/1435099302.db2.gz WMCCBKUNTQINAX-VGOFRKELSA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274868714 1435099304 /nfs/dbraw/zinc/09/93/04/1435099304.db2.gz WMCCBKUNTQINAX-VGOFRKELSA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274876859 1435100222 /nfs/dbraw/zinc/10/02/22/1435100222.db2.gz YUEGSUJKXRIIHS-HTAPYJJXSA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000274876859 1435100223 /nfs/dbraw/zinc/10/02/23/1435100223.db2.gz YUEGSUJKXRIIHS-HTAPYJJXSA-N 2 2 394.519 3.084 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cc2)CC1 ZINC000275610988 1435152718 /nfs/dbraw/zinc/15/27/18/1435152718.db2.gz MZRRJMJNGVMUCA-UHFFFAOYSA-N 2 2 375.875 3.157 20 0 GGADLP CSc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000275788279 1435169409 /nfs/dbraw/zinc/16/94/09/1435169409.db2.gz SCHMIPYUYGTNMM-UHFFFAOYSA-N 2 2 376.570 3.397 20 0 GGADLP C[NH+](C)[C@H]1CCN(c2ccc(N[C@@H](c3ncc[nH]3)c3ccc(F)cc3)[nH+]c2)C1 ZINC000275943405 1435181486 /nfs/dbraw/zinc/18/14/86/1435181486.db2.gz ZJIMNCGXOJWOSP-AZUAARDMSA-N 2 2 380.471 3.286 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(OCC4CC4)cc3)cc2)CC1 ZINC000276568382 1435217924 /nfs/dbraw/zinc/21/79/24/1435217924.db2.gz AXILXUQUERKBEI-UHFFFAOYSA-N 2 2 393.531 3.153 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000276982299 1435249451 /nfs/dbraw/zinc/24/94/51/1435249451.db2.gz HBBCRSSIBWKFIE-UHFFFAOYSA-N 2 2 397.567 3.316 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000276982299 1435249454 /nfs/dbraw/zinc/24/94/54/1435249454.db2.gz HBBCRSSIBWKFIE-UHFFFAOYSA-N 2 2 397.567 3.316 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000277042359 1435255581 /nfs/dbraw/zinc/25/55/81/1435255581.db2.gz BXOKHQSOSXAKRV-UHFFFAOYSA-N 2 2 377.554 3.330 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCS(=O)(=O)c1ccc(C)cc1 ZINC000277042359 1435255584 /nfs/dbraw/zinc/25/55/84/1435255584.db2.gz BXOKHQSOSXAKRV-UHFFFAOYSA-N 2 2 377.554 3.330 20 0 GGADLP CN(C(=O)[C@H]1CC(=O)c2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000277141327 1435267535 /nfs/dbraw/zinc/26/75/35/1435267535.db2.gz JUWHWJMOMRVVFU-BHDDXSALSA-N 2 2 397.563 3.152 20 0 GGADLP CN(C(=O)[C@H]1CC(=O)c2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000277141327 1435267540 /nfs/dbraw/zinc/26/75/40/1435267540.db2.gz JUWHWJMOMRVVFU-BHDDXSALSA-N 2 2 397.563 3.152 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000277143206 1435268053 /nfs/dbraw/zinc/26/80/53/1435268053.db2.gz PNQRCBHOOVEBAF-QWFCFKBJSA-N 2 2 388.556 3.244 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@H]([NH+](C)C)CC2)C[C@H](C)O1 ZINC000277143204 1435268147 /nfs/dbraw/zinc/26/81/47/1435268147.db2.gz PNQRCBHOOVEBAF-NSHGMRRFSA-N 2 2 388.556 3.244 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@H]([NH+](C)C)CC2)C[C@H](C)O1 ZINC000277143204 1435268151 /nfs/dbraw/zinc/26/81/51/1435268151.db2.gz PNQRCBHOOVEBAF-NSHGMRRFSA-N 2 2 388.556 3.244 20 0 GGADLP C[C@H](c1cccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)c1)[NH+]1CCOCC1 ZINC000277722768 1435324601 /nfs/dbraw/zinc/32/46/01/1435324601.db2.gz NDTUQVKUKWNGJV-QGZVFWFLSA-N 2 2 386.540 3.076 20 0 GGADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3cc(C(=O)OC)co3)cc2)CC1 ZINC000278350984 1435382810 /nfs/dbraw/zinc/38/28/10/1435382810.db2.gz ZAINCGSKAYQLBW-QGZVFWFLSA-N 2 2 385.508 3.055 20 0 GGADLP Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000278392825 1435386920 /nfs/dbraw/zinc/38/69/20/1435386920.db2.gz DWFVVDOYARYABK-PZJWPPBQSA-N 2 2 398.595 3.441 20 0 GGADLP Cc1ccc([C@H]2C[C@H](C)N(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000278392817 1435386936 /nfs/dbraw/zinc/38/69/36/1435386936.db2.gz DWFVVDOYARYABK-FPOVZHCZSA-N 2 2 398.595 3.441 20 0 GGADLP Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)C2)cc1 ZINC000278392832 1435386953 /nfs/dbraw/zinc/38/69/53/1435386953.db2.gz DWFVVDOYARYABK-TZIWHRDSSA-N 2 2 398.595 3.441 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c(OC)c1 ZINC000278435056 1435390782 /nfs/dbraw/zinc/39/07/82/1435390782.db2.gz JWGNYWJQEOQMTA-WBVHZDCISA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c(OC)c1 ZINC000278435056 1435390786 /nfs/dbraw/zinc/39/07/86/1435390786.db2.gz JWGNYWJQEOQMTA-WBVHZDCISA-N 2 2 375.513 3.027 20 0 GGADLP COC(=O)c1coc([C@@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000278652274 1435410430 /nfs/dbraw/zinc/41/04/30/1435410430.db2.gz IDRGKAJBFZKPIS-HUUCEWRRSA-N 2 2 389.471 3.369 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]cc3-c3ccccc3F)CC2)CC1 ZINC000278682016 1435413711 /nfs/dbraw/zinc/41/37/11/1435413711.db2.gz NZNRNSZREUBYHF-UHFFFAOYSA-N 2 2 384.499 3.109 20 0 GGADLP O=C(NC1CC1)[C@@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278739286 1435418845 /nfs/dbraw/zinc/41/88/45/1435418845.db2.gz ABSGEDYJZSASOM-OAQYLSRUSA-N 2 2 378.520 3.419 20 0 GGADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000278760216 1435420854 /nfs/dbraw/zinc/42/08/54/1435420854.db2.gz SYDXSHNVYXLLML-FGZHOGPDSA-N 2 2 393.535 3.285 20 0 GGADLP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278798635 1435424830 /nfs/dbraw/zinc/42/48/30/1435424830.db2.gz FQTSZIOXVOWIEM-KRWDZBQOSA-N 2 2 396.535 3.112 20 0 GGADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c[nH]c2ccccc21 ZINC000278832660 1435428294 /nfs/dbraw/zinc/42/82/94/1435428294.db2.gz YXKMAYNNXDCZOT-KRWDZBQOSA-N 2 2 382.552 3.336 20 0 GGADLP COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1C ZINC000278903935 1435437677 /nfs/dbraw/zinc/43/76/77/1435437677.db2.gz PRAUQZAXRLHWCQ-UHFFFAOYSA-N 2 2 398.507 3.013 20 0 GGADLP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278915191 1435439083 /nfs/dbraw/zinc/43/90/83/1435439083.db2.gz QWHXLWNOJJFBPI-INIZCTEOSA-N 2 2 384.499 3.243 20 0 GGADLP COc1ccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1OC ZINC000278934575 1435441697 /nfs/dbraw/zinc/44/16/97/1435441697.db2.gz SZPWWLGSNWHGGN-UHFFFAOYSA-N 2 2 398.507 3.055 20 0 GGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000279498570 1435506125 /nfs/dbraw/zinc/50/61/25/1435506125.db2.gz SJKIPPOMOFCSDB-UHFFFAOYSA-N 2 2 394.441 3.402 20 0 GGADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000279498570 1435506132 /nfs/dbraw/zinc/50/61/32/1435506132.db2.gz SJKIPPOMOFCSDB-UHFFFAOYSA-N 2 2 394.441 3.402 20 0 GGADLP Cc1ccccc1-n1nccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000279821345 1435547224 /nfs/dbraw/zinc/54/72/24/1435547224.db2.gz GICQZMKQWHGFCA-UHFFFAOYSA-N 2 2 376.504 3.303 20 0 GGADLP Clc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(-n2cncn2)c1 ZINC000279849449 1435551144 /nfs/dbraw/zinc/55/11/44/1435551144.db2.gz IFOLTGCRKAVIEL-UHFFFAOYSA-N 2 2 397.910 3.043 20 0 GGADLP COc1ccccc1-n1nccc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000280870085 1435733678 /nfs/dbraw/zinc/73/36/78/1435733678.db2.gz DMKZTPPBBJHQSX-UHFFFAOYSA-N 2 2 392.503 3.003 20 0 GGADLP CSc1ccccc1CN(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000280957378 1435747667 /nfs/dbraw/zinc/74/76/67/1435747667.db2.gz XYURDXNXDRTRHN-UHFFFAOYSA-N 2 2 390.597 3.109 20 0 GGADLP Fc1cncc([C@H]([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)C2CC2)c1 ZINC000281134322 1435781260 /nfs/dbraw/zinc/78/12/60/1435781260.db2.gz FJGYQYDMYQKBOB-JOCHJYFZSA-N 2 2 385.483 3.173 20 0 GGADLP COc1ccccc1-n1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000281680052 1435818241 /nfs/dbraw/zinc/81/82/41/1435818241.db2.gz ONYPMGRRWOPWQY-UHFFFAOYSA-N 2 2 392.503 3.003 20 0 GGADLP Cn1cc(-c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)s2)cn1 ZINC000282272594 1435841070 /nfs/dbraw/zinc/84/10/70/1435841070.db2.gz OWOLRSNQVTZERR-CTNGQTDRSA-N 2 2 396.560 3.121 20 0 GGADLP Cn1cc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)s2)cn1 ZINC000282272594 1435841071 /nfs/dbraw/zinc/84/10/71/1435841071.db2.gz OWOLRSNQVTZERR-CTNGQTDRSA-N 2 2 396.560 3.121 20 0 GGADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000282561266 1435851659 /nfs/dbraw/zinc/85/16/59/1435851659.db2.gz DLYFGQYMCZGQBT-UHFFFAOYSA-N 2 2 391.519 3.006 20 0 GGADLP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000282764308 1435859540 /nfs/dbraw/zinc/85/95/40/1435859540.db2.gz WFFFICNDPUBMGE-UHFFFAOYSA-N 2 2 391.519 3.006 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282778020 1435859947 /nfs/dbraw/zinc/85/99/47/1435859947.db2.gz OOFVLFFCKQZZPK-FQEVSTJZSA-N 2 2 383.540 3.215 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282778020 1435859948 /nfs/dbraw/zinc/85/99/48/1435859948.db2.gz OOFVLFFCKQZZPK-FQEVSTJZSA-N 2 2 383.540 3.215 20 0 GGADLP CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284032711 1435976829 /nfs/dbraw/zinc/97/68/29/1435976829.db2.gz ILOIHEDJYZQISO-FCHUYYIVSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@H]1CCC[N@@H+](C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284032711 1435976836 /nfs/dbraw/zinc/97/68/36/1435976836.db2.gz ILOIHEDJYZQISO-FCHUYYIVSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@H]1CCC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284032711 1435976844 /nfs/dbraw/zinc/97/68/44/1435976844.db2.gz ILOIHEDJYZQISO-FCHUYYIVSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@H]1CCC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284032711 1435976852 /nfs/dbraw/zinc/97/68/52/1435976852.db2.gz ILOIHEDJYZQISO-FCHUYYIVSA-N 2 2 397.567 3.330 20 0 GGADLP COc1ncc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000284593118 1436032657 /nfs/dbraw/zinc/03/26/57/1436032657.db2.gz ZSPKUAPYUJCZQR-HNNXBMFYSA-N 2 2 375.900 3.427 20 0 GGADLP COc1ncc([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1Cl ZINC000284593121 1436032773 /nfs/dbraw/zinc/03/27/73/1436032773.db2.gz ZSPKUAPYUJCZQR-OAHLLOKOSA-N 2 2 375.900 3.427 20 0 GGADLP c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5[NH2+]Cc6ccccc6[C@H]5C4)c3C2)cc1 ZINC001164425666 718941185 /nfs/dbraw/zinc/94/11/85/718941185.db2.gz XIGUURAYNMIUSI-ZJSXRUAMSA-N 2 2 397.526 3.111 20 0 GGADLP c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5[NH2+]Cc6ccccc6[C@H]5C4)c3C2)cc1 ZINC001164425666 718941198 /nfs/dbraw/zinc/94/11/98/718941198.db2.gz XIGUURAYNMIUSI-ZJSXRUAMSA-N 2 2 397.526 3.111 20 0 GGADLP Cc1cc(N2CCCC2)nc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164624792 719051286 /nfs/dbraw/zinc/05/12/86/719051286.db2.gz OYETVIWYMLONBQ-SFTDATJTSA-N 2 2 377.536 3.486 20 0 GGADLP Cc1cc(N2CCCC2)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164624792 719051290 /nfs/dbraw/zinc/05/12/90/719051290.db2.gz OYETVIWYMLONBQ-SFTDATJTSA-N 2 2 377.536 3.486 20 0 GGADLP Cc1cc(N2CCCC2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164624785 719051579 /nfs/dbraw/zinc/05/15/79/719051579.db2.gz OYETVIWYMLONBQ-NHCUHLMSSA-N 2 2 377.536 3.486 20 0 GGADLP Cc1cc(N2CCCC2)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[nH+]1 ZINC001164624785 719051585 /nfs/dbraw/zinc/05/15/85/719051585.db2.gz OYETVIWYMLONBQ-NHCUHLMSSA-N 2 2 377.536 3.486 20 0 GGADLP [NH3+]C1CCN(c2cccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)[nH+]2)CC1 ZINC001164626710 719092068 /nfs/dbraw/zinc/09/20/68/719092068.db2.gz IOKXGACRBQYETL-IFMALSPDSA-N 3 2 391.563 3.110 20 0 GGADLP [NH3+]C1CCN(c2cccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)[nH+]2)CC1 ZINC001164626710 719092072 /nfs/dbraw/zinc/09/20/72/719092072.db2.gz IOKXGACRBQYETL-IFMALSPDSA-N 3 2 391.563 3.110 20 0 GGADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N)cc[nH+]1)CC2 ZINC001164659277 719345625 /nfs/dbraw/zinc/34/56/25/719345625.db2.gz AWIQXPLHSKNFAL-UHFFFAOYSA-N 2 2 388.519 3.359 20 0 GGADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N)cc[nH+]1)CC2 ZINC001164659277 719345627 /nfs/dbraw/zinc/34/56/27/719345627.db2.gz AWIQXPLHSKNFAL-UHFFFAOYSA-N 2 2 388.519 3.359 20 0 GGADLP CC[N@@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(N)[nH+]1)CC2 ZINC001164663033 719347604 /nfs/dbraw/zinc/34/76/04/719347604.db2.gz CENYZTHHYGXZIY-UHFFFAOYSA-N 2 2 388.519 3.359 20 0 GGADLP CC[N@H+]1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(N)[nH+]1)CC2 ZINC001164663033 719347608 /nfs/dbraw/zinc/34/76/08/719347608.db2.gz CENYZTHHYGXZIY-UHFFFAOYSA-N 2 2 388.519 3.359 20 0 GGADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001164812607 720196054 /nfs/dbraw/zinc/19/60/54/720196054.db2.gz LKRAIKAQVMIOLY-GAJHUEQPSA-N 2 2 380.536 3.236 20 0 GGADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001164812607 720196058 /nfs/dbraw/zinc/19/60/58/720196058.db2.gz LKRAIKAQVMIOLY-GAJHUEQPSA-N 2 2 380.536 3.236 20 0 GGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001164812610 720196653 /nfs/dbraw/zinc/19/66/53/720196653.db2.gz LKRAIKAQVMIOLY-HXOBKFHXSA-N 2 2 380.536 3.236 20 0 GGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001164812610 720196657 /nfs/dbraw/zinc/19/66/57/720196657.db2.gz LKRAIKAQVMIOLY-HXOBKFHXSA-N 2 2 380.536 3.236 20 0 GGADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001164812618 720196787 /nfs/dbraw/zinc/19/67/87/720196787.db2.gz LKRAIKAQVMIOLY-UZUQRXQVSA-N 2 2 380.536 3.236 20 0 GGADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]ccc3c4c([nH]c31)CCC4)C2 ZINC001164812618 720196794 /nfs/dbraw/zinc/19/67/94/720196794.db2.gz LKRAIKAQVMIOLY-UZUQRXQVSA-N 2 2 380.536 3.236 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc3ccccc3c[nH+]2)CC1 ZINC001164826651 720303073 /nfs/dbraw/zinc/30/30/73/720303073.db2.gz WCKACLZOONJPGA-LEWJYISDSA-N 2 2 378.520 3.146 20 0 GGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833028 720320004 /nfs/dbraw/zinc/32/00/04/720320004.db2.gz VWDPPSFXURFBED-YADHBBJMSA-N 2 2 392.547 3.455 20 0 GGADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(C(C)C)[nH+]1 ZINC001164833358 720511869 /nfs/dbraw/zinc/51/18/69/720511869.db2.gz DHJXYCJOTLTWFU-SFHLNBCPSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(C(C)C)[nH+]1 ZINC001164833358 720511874 /nfs/dbraw/zinc/51/18/74/720511874.db2.gz DHJXYCJOTLTWFU-SFHLNBCPSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164839140 720549701 /nfs/dbraw/zinc/54/97/01/720549701.db2.gz POTNQUQHRHZTEJ-IPMKNSEASA-N 2 2 393.539 3.149 20 0 GGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164839140 720549705 /nfs/dbraw/zinc/54/97/05/720549705.db2.gz POTNQUQHRHZTEJ-IPMKNSEASA-N 2 2 393.539 3.149 20 0 GGADLP CCCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001164834622 720571226 /nfs/dbraw/zinc/57/12/26/720571226.db2.gz FHVFVVQLYMCIIY-CEWLAPEOSA-N 2 2 382.556 3.312 20 0 GGADLP CCCc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C)[nH+]1 ZINC001164834622 720571244 /nfs/dbraw/zinc/57/12/44/720571244.db2.gz FHVFVVQLYMCIIY-CEWLAPEOSA-N 2 2 382.556 3.312 20 0 GGADLP COc1cc2cc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2cc1F ZINC001164744379 720594505 /nfs/dbraw/zinc/59/45/05/720594505.db2.gz RYLXORPMNJTIEQ-UHFFFAOYSA-N 2 2 395.482 3.238 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C2CC2)[nH+]1 ZINC001164841312 720620429 /nfs/dbraw/zinc/62/04/29/720620429.db2.gz RVEDVPSDTVNPEA-XUVXKRRUSA-N 2 2 380.540 3.237 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C2CC2)[nH+]1 ZINC001164841312 720620440 /nfs/dbraw/zinc/62/04/40/720620440.db2.gz RVEDVPSDTVNPEA-XUVXKRRUSA-N 2 2 380.540 3.237 20 0 GGADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC[C@H]2C1 ZINC001164862105 720871169 /nfs/dbraw/zinc/87/11/69/720871169.db2.gz YVLUSRJMRMEWCN-PZJWPPBQSA-N 2 2 388.556 3.006 20 0 GGADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC[C@H]2C1 ZINC001164862105 720871170 /nfs/dbraw/zinc/87/11/70/720871170.db2.gz YVLUSRJMRMEWCN-PZJWPPBQSA-N 2 2 388.556 3.006 20 0 GGADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC[C@H]2C1 ZINC001164862103 720871438 /nfs/dbraw/zinc/87/14/38/720871438.db2.gz YVLUSRJMRMEWCN-FPOVZHCZSA-N 2 2 388.556 3.006 20 0 GGADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(C4CCCCC4)[nH+]c(C)n3)CC[C@H]2C1 ZINC001164862103 720871439 /nfs/dbraw/zinc/87/14/39/720871439.db2.gz YVLUSRJMRMEWCN-FPOVZHCZSA-N 2 2 388.556 3.006 20 0 GGADLP Cc1c[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)nc1NCC1CC1 ZINC001164858555 720917208 /nfs/dbraw/zinc/91/72/08/720917208.db2.gz ODAHAEGOOKKZHC-INIZCTEOSA-N 2 2 383.544 3.225 20 0 GGADLP Cc1c[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1NCC1CC1 ZINC001164858555 720917214 /nfs/dbraw/zinc/91/72/14/720917214.db2.gz ODAHAEGOOKKZHC-INIZCTEOSA-N 2 2 383.544 3.225 20 0 GGADLP C[NH+]1CCN(c2cccc(N3CCC[C@@]4(C[C@@H](c5ccccc5)CO4)C3)[nH+]2)CC1 ZINC001164764989 721060231 /nfs/dbraw/zinc/06/02/31/721060231.db2.gz BYWULGBPBRCHLF-ZJSXRUAMSA-N 2 2 392.547 3.377 20 0 GGADLP COc1ccc2[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)cc(C)c2c1 ZINC001164765106 721134397 /nfs/dbraw/zinc/13/43/97/721134397.db2.gz IZOOKIKTKKSDLU-OALUTQOASA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)cc(C)c2c1 ZINC001164765106 721134402 /nfs/dbraw/zinc/13/44/02/721134402.db2.gz IZOOKIKTKKSDLU-OALUTQOASA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc(C)c2c1 ZINC001164765099 721135410 /nfs/dbraw/zinc/13/54/10/721135410.db2.gz IZOOKIKTKKSDLU-MOPGFXCFSA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)cc(C)c2c1 ZINC001164765099 721135418 /nfs/dbraw/zinc/13/54/18/721135418.db2.gz IZOOKIKTKKSDLU-MOPGFXCFSA-N 2 2 391.519 3.244 20 0 GGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c([nH+]3)CCC4)C2)C1 ZINC001164779734 721344846 /nfs/dbraw/zinc/34/48/46/721344846.db2.gz VDDKPBAZURUZMA-QHCPKHFHSA-N 2 2 396.535 3.294 20 0 GGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c([nH+]3)CCC4)C2)C1 ZINC001164779734 721344849 /nfs/dbraw/zinc/34/48/49/721344849.db2.gz VDDKPBAZURUZMA-QHCPKHFHSA-N 2 2 396.535 3.294 20 0 GGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]cc(C)cc3C)C2)C1 ZINC001164779918 721349305 /nfs/dbraw/zinc/34/93/05/721349305.db2.gz XBQHLZIEWMJFJI-JOCHJYFZSA-N 2 2 384.524 3.422 20 0 GGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]cc(C)cc3C)C2)C1 ZINC001164779918 721349308 /nfs/dbraw/zinc/34/93/08/721349308.db2.gz XBQHLZIEWMJFJI-JOCHJYFZSA-N 2 2 384.524 3.422 20 0 GGADLP CCc1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cc(C)[nH+]1 ZINC001164780708 721367400 /nfs/dbraw/zinc/36/74/00/721367400.db2.gz GQDMOAUKTNZDRI-QFIPXVFZSA-N 2 2 399.539 3.071 20 0 GGADLP CCc1nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cc(C)[nH+]1 ZINC001164780708 721367404 /nfs/dbraw/zinc/36/74/04/721367404.db2.gz GQDMOAUKTNZDRI-QFIPXVFZSA-N 2 2 399.539 3.071 20 0 GGADLP Cc1cc2ccccc2c(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164883529 721423919 /nfs/dbraw/zinc/42/39/19/721423919.db2.gz APELPEAYEFXTGT-XUZZJYLKSA-N 2 2 394.563 3.309 20 0 GGADLP Cc1cc2ccccc2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164883529 721423922 /nfs/dbraw/zinc/42/39/22/721423922.db2.gz APELPEAYEFXTGT-XUZZJYLKSA-N 2 2 394.563 3.309 20 0 GGADLP COc1cc2c[nH+]c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)cc2cc1OC ZINC001164791064 721429554 /nfs/dbraw/zinc/42/95/54/721429554.db2.gz ZJYYNTAQXHEUSE-IAGOWNOFSA-N 2 2 396.516 3.277 20 0 GGADLP Cc1cccc2cc[nH+]c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164898688 721442464 /nfs/dbraw/zinc/44/24/64/721442464.db2.gz WMAGQCBZJJEZOD-QPPBQGQZSA-N 2 2 394.563 3.309 20 0 GGADLP CC(C)Oc1cc[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164801825 721559739 /nfs/dbraw/zinc/55/97/39/721559739.db2.gz HHVZDVFLUBDRJB-URVUXULASA-N 2 2 382.508 3.132 20 0 GGADLP CC(C)Oc1cc[nH+]c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1 ZINC001164801825 721559740 /nfs/dbraw/zinc/55/97/40/721559740.db2.gz HHVZDVFLUBDRJB-URVUXULASA-N 2 2 382.508 3.132 20 0 GGADLP Cc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)cc(C2CCCCC2)[nH+]1 ZINC001165009889 721743027 /nfs/dbraw/zinc/74/30/27/721743027.db2.gz JOEGMEATKNBTSX-UHFFFAOYSA-N 2 2 399.583 3.356 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021422 721821195 /nfs/dbraw/zinc/82/11/95/721821195.db2.gz FMRWHXWRMGDOFX-TYPHKJRUSA-N 2 2 393.535 3.480 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165021422 721821196 /nfs/dbraw/zinc/82/11/96/721821196.db2.gz FMRWHXWRMGDOFX-TYPHKJRUSA-N 2 2 393.535 3.480 20 0 GGADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]cnc3[nH]cc(C)c32)CC1 ZINC001165017067 721837829 /nfs/dbraw/zinc/83/78/29/721837829.db2.gz HOQUGAGGEYBHDH-UHFFFAOYSA-N 2 2 395.507 3.384 20 0 GGADLP C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001164933267 721881723 /nfs/dbraw/zinc/88/17/23/721881723.db2.gz LIVZLIWRWHQZAZ-NHCUHLMSSA-N 2 2 379.552 3.050 20 0 GGADLP CCN(C)c1cc[nH+]c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164938297 721920380 /nfs/dbraw/zinc/92/03/80/721920380.db2.gz KPXYFCQICXVFLU-UHFFFAOYSA-N 2 2 395.551 3.113 20 0 GGADLP CCN(C)c1cc[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164938297 721920383 /nfs/dbraw/zinc/92/03/83/721920383.db2.gz KPXYFCQICXVFLU-UHFFFAOYSA-N 2 2 395.551 3.113 20 0 GGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)[nH+]c5c4CCC5)CC3)C2)cc1 ZINC001164939068 721930024 /nfs/dbraw/zinc/93/00/24/721930024.db2.gz IEKMVZOIZGRNRF-UHFFFAOYSA-N 2 2 392.547 3.454 20 0 GGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4nc(C)[nH+]c5c4CCC5)CC3)C2)cc1 ZINC001164939068 721930027 /nfs/dbraw/zinc/93/00/27/721930027.db2.gz IEKMVZOIZGRNRF-UHFFFAOYSA-N 2 2 392.547 3.454 20 0 GGADLP CN(C)C(=O)c1cc2c[nH+]c(N(C)CC3CC[NH+](C)CC3)nc2n1C1CCCC1 ZINC001165041253 721934037 /nfs/dbraw/zinc/93/40/37/721934037.db2.gz MVVRGKHDZQECFF-UHFFFAOYSA-N 2 2 398.555 3.026 20 0 GGADLP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2cc(N4CCCCC4)[nH+]cn2)CC3)c1 ZINC001164956053 722021858 /nfs/dbraw/zinc/02/18/58/722021858.db2.gz VKLBZTVQZQEWJZ-UHFFFAOYSA-N 2 2 392.551 3.354 20 0 GGADLP c1cncc(C[N@H+]2CCC3(C2)CCN(c2cc(N4CCCCC4)[nH+]cn2)CC3)c1 ZINC001164956053 722021862 /nfs/dbraw/zinc/02/18/62/722021862.db2.gz VKLBZTVQZQEWJZ-UHFFFAOYSA-N 2 2 392.551 3.354 20 0 GGADLP Cc1nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001164984089 722102595 /nfs/dbraw/zinc/10/25/95/722102595.db2.gz RRNODTOCSLTWIV-PZJWPPBQSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001164984089 722102597 /nfs/dbraw/zinc/10/25/97/722102597.db2.gz RRNODTOCSLTWIV-PZJWPPBQSA-N 2 2 381.524 3.031 20 0 GGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000821614446 945747462 /nfs/dbraw/zinc/74/74/62/945747462.db2.gz GQQGUFDHQUHGFR-UHFFFAOYSA-N 2 2 382.487 3.254 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000821614446 945747472 /nfs/dbraw/zinc/74/74/72/945747472.db2.gz GQQGUFDHQUHGFR-UHFFFAOYSA-N 2 2 382.487 3.254 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccc(F)c(F)c1 ZINC000824547719 946789906 /nfs/dbraw/zinc/78/99/06/946789906.db2.gz SFZUGDSFNGNPBQ-CQSZACIVSA-N 2 2 398.461 3.460 20 0 GGADLP Cc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)o1 ZINC000826287396 947832464 /nfs/dbraw/zinc/83/24/64/947832464.db2.gz NJZQXUOBPDWLGV-INIZCTEOSA-N 2 2 394.523 3.343 20 0 GGADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@H]2C[C@@H]2C2CCCCC2)CC1 ZINC000826513441 948436959 /nfs/dbraw/zinc/43/69/59/948436959.db2.gz LKTWFHDKFPYMMZ-RTWAWAEBSA-N 2 2 380.540 3.390 20 0 GGADLP CC[N@@H+]1CCC[C@@H](CN(C)Cc2[nH+]cc(C)c(OC)c2C)[C@@H]1c1cnn(C)c1 ZINC000328648060 206236507 /nfs/dbraw/zinc/23/65/07/206236507.db2.gz UIYMVDTUUOSMFK-GHTZIAJQSA-N 2 2 385.556 3.346 20 0 GGADLP CC[N@H+]1CCC[C@@H](CN(C)Cc2[nH+]cc(C)c(OC)c2C)[C@@H]1c1cnn(C)c1 ZINC000328648060 206236511 /nfs/dbraw/zinc/23/65/11/206236511.db2.gz UIYMVDTUUOSMFK-GHTZIAJQSA-N 2 2 385.556 3.346 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3C)CC2)c1 ZINC000022516269 207255420 /nfs/dbraw/zinc/25/54/20/207255420.db2.gz WOEHWZADNQQVGE-SFHVURJKSA-N 2 2 383.561 3.320 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3C)CC2)c1 ZINC000022516269 207255421 /nfs/dbraw/zinc/25/54/21/207255421.db2.gz WOEHWZADNQQVGE-SFHVURJKSA-N 2 2 383.561 3.320 20 0 GGADLP C[C@@H](C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2)Cn1cc[nH+]c1 ZINC000067500514 207322067 /nfs/dbraw/zinc/32/20/67/207322067.db2.gz BXQIHRGGSLCWOU-ZDUSSCGKSA-N 2 2 380.286 3.233 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394599972 565572479 /nfs/dbraw/zinc/57/24/79/565572479.db2.gz DADPBGMSZADMNY-SNVBAGLBSA-N 2 2 377.124 3.038 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394599972 565572484 /nfs/dbraw/zinc/57/24/84/565572484.db2.gz DADPBGMSZADMNY-SNVBAGLBSA-N 2 2 377.124 3.038 20 0 GGADLP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405438769 565587180 /nfs/dbraw/zinc/58/71/80/565587180.db2.gz KKKIPUGOOFZYQW-LLVKDONJSA-N 2 2 378.685 3.376 20 0 GGADLP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405438769 565587185 /nfs/dbraw/zinc/58/71/85/565587185.db2.gz KKKIPUGOOFZYQW-LLVKDONJSA-N 2 2 378.685 3.376 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512100263 566513049 /nfs/dbraw/zinc/51/30/49/566513049.db2.gz OZKLFQLRPKIVGH-TXEJJXNPSA-N 2 2 393.338 3.205 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ncc(I)s2)C1 ZINC000512100263 566513055 /nfs/dbraw/zinc/51/30/55/566513055.db2.gz OZKLFQLRPKIVGH-TXEJJXNPSA-N 2 2 393.338 3.205 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC[N@@H+]1C ZINC000470258683 566859274 /nfs/dbraw/zinc/85/92/74/566859274.db2.gz KDWRWIGTUDWGAK-CABZTGNLSA-N 2 2 391.151 3.366 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC[N@H+]1C ZINC000470258683 566859275 /nfs/dbraw/zinc/85/92/75/566859275.db2.gz KDWRWIGTUDWGAK-CABZTGNLSA-N 2 2 391.151 3.366 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000116411018 564209261 /nfs/dbraw/zinc/20/92/61/564209261.db2.gz GZWSEDWNNPVTNM-GOSISDBHSA-N 2 2 381.973 3.030 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000116411018 564209265 /nfs/dbraw/zinc/20/92/65/564209265.db2.gz GZWSEDWNNPVTNM-GOSISDBHSA-N 2 2 381.973 3.030 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000116411021 564209490 /nfs/dbraw/zinc/20/94/90/564209490.db2.gz GZWSEDWNNPVTNM-SFHVURJKSA-N 2 2 381.973 3.030 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCSC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000116411021 564209492 /nfs/dbraw/zinc/20/94/92/564209492.db2.gz GZWSEDWNNPVTNM-SFHVURJKSA-N 2 2 381.973 3.030 20 0 GGADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000119507458 564274399 /nfs/dbraw/zinc/27/43/99/564274399.db2.gz MTRMIIGNYIQUAA-AWEZNQCLSA-N 2 2 378.929 3.186 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000119663285 564281661 /nfs/dbraw/zinc/28/16/61/564281661.db2.gz HSDNTIQUFKJQAU-ZFWWWQNUSA-N 2 2 380.330 3.301 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000119663285 564281668 /nfs/dbraw/zinc/28/16/68/564281668.db2.gz HSDNTIQUFKJQAU-ZFWWWQNUSA-N 2 2 380.330 3.301 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000119663119 564281851 /nfs/dbraw/zinc/28/18/51/564281851.db2.gz HSDNTIQUFKJQAU-DZGCQCFKSA-N 2 2 380.330 3.301 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000119663119 564281857 /nfs/dbraw/zinc/28/18/57/564281857.db2.gz HSDNTIQUFKJQAU-DZGCQCFKSA-N 2 2 380.330 3.301 20 0 GGADLP Brc1ccc2[nH+]cc(CN3CC[NH+](Cc4cccs4)CC3)n2c1 ZINC000119887568 564293056 /nfs/dbraw/zinc/29/30/56/564293056.db2.gz FBQAJVCOLFUKIJ-UHFFFAOYSA-N 2 2 391.338 3.476 20 0 GGADLP c1csc(N2CC[NH+](CCC[NH+]3CCN(c4cccs4)CC3)CC2)c1 ZINC000121442139 564369461 /nfs/dbraw/zinc/36/94/61/564369461.db2.gz HLQVJJQHXMBXBJ-UHFFFAOYSA-N 2 2 376.595 3.144 20 0 GGADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000121624414 564378210 /nfs/dbraw/zinc/37/82/10/564378210.db2.gz SLNFNBWNMXAHHW-UHFFFAOYSA-N 2 2 378.567 3.474 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000124303688 564478179 /nfs/dbraw/zinc/47/81/79/564478179.db2.gz GXHFZHLMJVFTCU-CQSZACIVSA-N 2 2 379.302 3.303 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2)c(Br)c1 ZINC000124303688 564478181 /nfs/dbraw/zinc/47/81/81/564478181.db2.gz GXHFZHLMJVFTCU-CQSZACIVSA-N 2 2 379.302 3.303 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1nc(-c2cc(Br)cs2)no1 ZINC000124348601 564479933 /nfs/dbraw/zinc/47/99/33/564479933.db2.gz JKRQDLOPGYIPRL-UHFFFAOYSA-N 2 2 382.287 3.279 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1nc(-c2cc(Br)cs2)no1 ZINC000124348601 564479934 /nfs/dbraw/zinc/47/99/34/564479934.db2.gz JKRQDLOPGYIPRL-UHFFFAOYSA-N 2 2 382.287 3.279 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000124418823 564481776 /nfs/dbraw/zinc/48/17/76/564481776.db2.gz DUZBNEAGNPDJRF-UHFFFAOYSA-N 2 2 385.693 3.260 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000124418823 564481778 /nfs/dbraw/zinc/48/17/78/564481778.db2.gz DUZBNEAGNPDJRF-UHFFFAOYSA-N 2 2 385.693 3.260 20 0 GGADLP Cc1cc(Br)cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000126541599 564552591 /nfs/dbraw/zinc/55/25/91/564552591.db2.gz QGYPEARZCPZQQL-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP C[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052071366 564568951 /nfs/dbraw/zinc/56/89/51/564568951.db2.gz CBVKIXIPMYRANC-HNNXBMFYSA-N 2 2 375.563 3.073 20 0 GGADLP C[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000052071366 564568954 /nfs/dbraw/zinc/56/89/54/564568954.db2.gz CBVKIXIPMYRANC-HNNXBMFYSA-N 2 2 375.563 3.073 20 0 GGADLP C[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000129404647 564647520 /nfs/dbraw/zinc/64/75/20/564647520.db2.gz RAXZHWARCTUUAY-NEPJUHHUSA-N 2 2 392.257 3.372 20 0 GGADLP C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C[C@@H]1n1cc[nH+]c1 ZINC000129404647 564647525 /nfs/dbraw/zinc/64/75/25/564647525.db2.gz RAXZHWARCTUUAY-NEPJUHHUSA-N 2 2 392.257 3.372 20 0 GGADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1Cl ZINC000129590050 564652918 /nfs/dbraw/zinc/65/29/18/564652918.db2.gz IOPSQODKMPXCAT-ZDUSSCGKSA-N 2 2 380.323 3.386 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000130404449 564680149 /nfs/dbraw/zinc/68/01/49/564680149.db2.gz ZEAFUOUMZHGVNU-UHFFFAOYSA-N 2 2 380.246 3.119 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2ccc(Br)o2)o1 ZINC000130404449 564680155 /nfs/dbraw/zinc/68/01/55/564680155.db2.gz ZEAFUOUMZHGVNU-UHFFFAOYSA-N 2 2 380.246 3.119 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000130966562 564696978 /nfs/dbraw/zinc/69/69/78/564696978.db2.gz PTHOOTWUSHVESW-UHFFFAOYSA-N 2 2 390.336 3.294 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CCS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000130966562 564696981 /nfs/dbraw/zinc/69/69/81/564696981.db2.gz PTHOOTWUSHVESW-UHFFFAOYSA-N 2 2 390.336 3.294 20 0 GGADLP C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000131115406 564701169 /nfs/dbraw/zinc/70/11/69/564701169.db2.gz SKPRZEMTQMVMDY-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131116642 564701206 /nfs/dbraw/zinc/70/12/06/564701206.db2.gz ILLLQJGSXQHQAU-SFHVURJKSA-N 2 2 377.330 3.415 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)N1CC[NH+](CCn2cc[nH+]c2)CC1 ZINC000131116839 564701619 /nfs/dbraw/zinc/70/16/19/564701619.db2.gz ILLLQJGSXQHQAU-GOSISDBHSA-N 2 2 377.330 3.415 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000131296005 564706965 /nfs/dbraw/zinc/70/69/65/564706965.db2.gz MWVXCNGHKZZYRB-PBHICJAKSA-N 2 2 378.314 3.171 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000131296005 564706968 /nfs/dbraw/zinc/70/69/68/564706968.db2.gz MWVXCNGHKZZYRB-PBHICJAKSA-N 2 2 378.314 3.171 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000131295806 564707481 /nfs/dbraw/zinc/70/74/81/564707481.db2.gz MWVXCNGHKZZYRB-YOEHRIQHSA-N 2 2 378.314 3.171 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000131295806 564707486 /nfs/dbraw/zinc/70/74/86/564707486.db2.gz MWVXCNGHKZZYRB-YOEHRIQHSA-N 2 2 378.314 3.171 20 0 GGADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131829111 564725165 /nfs/dbraw/zinc/72/51/65/564725165.db2.gz ITXCEMRXUBYVHV-ZBFHGGJFSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131829111 564725170 /nfs/dbraw/zinc/72/51/70/564725170.db2.gz ITXCEMRXUBYVHV-ZBFHGGJFSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131830469 564725241 /nfs/dbraw/zinc/72/52/41/564725241.db2.gz BJIPCHHNZRGARW-HIFRSBDPSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131830469 564725246 /nfs/dbraw/zinc/72/52/46/564725246.db2.gz BJIPCHHNZRGARW-HIFRSBDPSA-N 2 2 383.275 3.281 20 0 GGADLP O=C(CCn1cc[nH+]c1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000066841759 564776378 /nfs/dbraw/zinc/77/63/78/564776378.db2.gz SEAIUUZHYSKYMP-UHFFFAOYSA-N 2 2 381.307 3.361 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000134088910 564793319 /nfs/dbraw/zinc/79/33/19/564793319.db2.gz SRBYMQDWEVTMDS-CRAIPNDOSA-N 2 2 377.330 3.461 20 0 GGADLP [NH3+]CC[C@H]1CCC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000135328428 564828456 /nfs/dbraw/zinc/82/84/56/564828456.db2.gz WZCLJCZOOHZBIH-SNVBAGLBSA-N 2 2 377.124 3.167 20 0 GGADLP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000135328428 564828461 /nfs/dbraw/zinc/82/84/61/564828461.db2.gz WZCLJCZOOHZBIH-SNVBAGLBSA-N 2 2 377.124 3.167 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)ccc3Br)C2)CC1 ZINC000093132879 564883746 /nfs/dbraw/zinc/88/37/46/564883746.db2.gz QKYACNKHTUPTSC-INIZCTEOSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)ccc3Br)C2)CC1 ZINC000093132879 564883751 /nfs/dbraw/zinc/88/37/51/564883751.db2.gz QKYACNKHTUPTSC-INIZCTEOSA-N 2 2 386.765 3.314 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000150754921 564888920 /nfs/dbraw/zinc/88/89/20/564888920.db2.gz HVFAIYJWDUTZGG-AWEZNQCLSA-N 2 2 381.314 3.138 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000150754921 564888925 /nfs/dbraw/zinc/88/89/25/564888925.db2.gz HVFAIYJWDUTZGG-AWEZNQCLSA-N 2 2 381.314 3.138 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCCc1cccc(Cl)c1Cl ZINC000150751569 564889257 /nfs/dbraw/zinc/88/92/57/564889257.db2.gz GGOJTLLQSXSDSY-HNNXBMFYSA-N 2 2 384.351 3.070 20 0 GGADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NCCc1cccc(Cl)c1Cl ZINC000150751569 564889263 /nfs/dbraw/zinc/88/92/63/564889263.db2.gz GGOJTLLQSXSDSY-HNNXBMFYSA-N 2 2 384.351 3.070 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791410 564891358 /nfs/dbraw/zinc/89/13/58/564891358.db2.gz XDBIEWWZALXNRJ-LSDHHAIUSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791410 564891360 /nfs/dbraw/zinc/89/13/60/564891360.db2.gz XDBIEWWZALXNRJ-LSDHHAIUSA-N 2 2 380.330 3.194 20 0 GGADLP Cc1ccc(Br)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000151175965 564909320 /nfs/dbraw/zinc/90/93/20/564909320.db2.gz RRPSLQHMXBFISG-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000098143999 564913467 /nfs/dbraw/zinc/91/34/67/564913467.db2.gz IGMMCRQUIQALHV-GDBMZVCRSA-N 2 2 385.346 3.201 20 0 GGADLP O=[S@@](CC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(Cl)ccc1Cl ZINC000151346319 564915690 /nfs/dbraw/zinc/91/56/90/564915690.db2.gz NGXOMDNULYODFJ-XMMPIXPASA-N 2 2 384.332 3.318 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152378144 564957095 /nfs/dbraw/zinc/95/70/95/564957095.db2.gz KGUVHXURVHMZTF-LBPRGKRZSA-N 2 2 375.847 3.154 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152378144 564957100 /nfs/dbraw/zinc/95/71/00/564957100.db2.gz KGUVHXURVHMZTF-LBPRGKRZSA-N 2 2 375.847 3.154 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152378144 564957105 /nfs/dbraw/zinc/95/71/05/564957105.db2.gz KGUVHXURVHMZTF-LBPRGKRZSA-N 2 2 375.847 3.154 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152378144 564957107 /nfs/dbraw/zinc/95/71/07/564957107.db2.gz KGUVHXURVHMZTF-LBPRGKRZSA-N 2 2 375.847 3.154 20 0 GGADLP CC[NH+]1CCN([C@@H]2CCN(c3cc[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000106479640 564983829 /nfs/dbraw/zinc/98/38/29/564983829.db2.gz IIFSMXCVCATIAL-MRXNPFEDSA-N 2 2 389.341 3.214 20 0 GGADLP CCN1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4ccc(Br)cc43)C2)CC1 ZINC000106479640 564983832 /nfs/dbraw/zinc/98/38/32/564983832.db2.gz IIFSMXCVCATIAL-MRXNPFEDSA-N 2 2 389.341 3.214 20 0 GGADLP COCCC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000153196420 564987507 /nfs/dbraw/zinc/98/75/07/564987507.db2.gz XIIGXLAOAVCOSB-APWZRJJASA-N 2 2 399.373 3.475 20 0 GGADLP C[C@@H](C[NH2+][C@@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCOCC1 ZINC000153295210 564990970 /nfs/dbraw/zinc/99/09/70/564990970.db2.gz DTFHEAITJVDRMZ-WMLDXEAASA-N 2 2 383.330 3.221 20 0 GGADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154266594 565031644 /nfs/dbraw/zinc/03/16/44/565031644.db2.gz QWOWJFCXFNUWNF-IAQYHMDHSA-N 2 2 398.370 3.454 20 0 GGADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154266698 565031659 /nfs/dbraw/zinc/03/16/59/565031659.db2.gz QWOWJFCXFNUWNF-XHDPSFHLSA-N 2 2 398.370 3.454 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793434 565031800 /nfs/dbraw/zinc/03/18/00/565031800.db2.gz LUFYVHZYIZDFRO-ZDUSSCGKSA-N 2 2 377.286 3.310 20 0 GGADLP CN(Cc1cc(Br)cs1)C(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109795131 565031846 /nfs/dbraw/zinc/03/18/46/565031846.db2.gz QLPNBFOGYWUHFI-UHFFFAOYSA-N 2 2 397.342 3.003 20 0 GGADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154266491 565032033 /nfs/dbraw/zinc/03/20/33/565032033.db2.gz QWOWJFCXFNUWNF-NHYWBVRUSA-N 2 2 398.370 3.454 20 0 GGADLP C[N@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000154351165 565035119 /nfs/dbraw/zinc/03/51/19/565035119.db2.gz SSGZZGYMNASIQW-MSOLQXFVSA-N 2 2 381.973 3.030 20 0 GGADLP C[N@@H+](CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCSC1 ZINC000154351165 565035122 /nfs/dbraw/zinc/03/51/22/565035122.db2.gz SSGZZGYMNASIQW-MSOLQXFVSA-N 2 2 381.973 3.030 20 0 GGADLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000154367524 565035708 /nfs/dbraw/zinc/03/57/08/565035708.db2.gz BYDCPCUSXWSIBN-GOSISDBHSA-N 2 2 396.373 3.419 20 0 GGADLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000154367524 565035711 /nfs/dbraw/zinc/03/57/11/565035711.db2.gz BYDCPCUSXWSIBN-GOSISDBHSA-N 2 2 396.373 3.419 20 0 GGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1F)c1ccccc1Br ZINC000154398372 565037786 /nfs/dbraw/zinc/03/77/86/565037786.db2.gz MKSLNUAEYZQILP-KXBFYZLASA-N 2 2 395.316 3.384 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243294 565051795 /nfs/dbraw/zinc/05/17/95/565051795.db2.gz JROJHWPLJHKOSF-ZDUSSCGKSA-N 2 2 377.286 3.310 20 0 GGADLP Brc1cccc(-c2c[nH]c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)n2)c1 ZINC000111383219 565054034 /nfs/dbraw/zinc/05/40/34/565054034.db2.gz NJAPSPKSCPPRNF-CYBMUJFWSA-N 2 2 375.314 3.413 20 0 GGADLP Brc1cccc(-c2c[nH]c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)n2)c1 ZINC000111383219 565054037 /nfs/dbraw/zinc/05/40/37/565054037.db2.gz NJAPSPKSCPPRNF-CYBMUJFWSA-N 2 2 375.314 3.413 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000112372874 565063404 /nfs/dbraw/zinc/06/34/04/565063404.db2.gz NKGAIYVSMCKZKX-UHFFFAOYSA-N 2 2 393.329 3.040 20 0 GGADLP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1ccccc1Br ZINC000112528855 565064472 /nfs/dbraw/zinc/06/44/72/565064472.db2.gz DWVRXOWJCRSAEO-OAHLLOKOSA-N 2 2 389.341 3.447 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1Br ZINC000155296566 565065763 /nfs/dbraw/zinc/06/57/63/565065763.db2.gz QCTRNGQQZBXDLQ-RHSMWYFYSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1Br ZINC000155296566 565065764 /nfs/dbraw/zinc/06/57/64/565065764.db2.gz QCTRNGQQZBXDLQ-RHSMWYFYSA-N 2 2 382.346 3.042 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)ccc3Cl)C2)CC1 ZINC000112731387 565065787 /nfs/dbraw/zinc/06/57/87/565065787.db2.gz WGPPCAPXDWWXPZ-INIZCTEOSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)ccc3Cl)C2)CC1 ZINC000112731387 565065789 /nfs/dbraw/zinc/06/57/89/565065789.db2.gz WGPPCAPXDWWXPZ-INIZCTEOSA-N 2 2 386.765 3.314 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000155314446 565066085 /nfs/dbraw/zinc/06/60/85/565066085.db2.gz VFQCDRLCVUYDMH-SJORKVTESA-N 2 2 381.973 3.409 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000155314446 565066086 /nfs/dbraw/zinc/06/60/86/565066086.db2.gz VFQCDRLCVUYDMH-SJORKVTESA-N 2 2 381.973 3.409 20 0 GGADLP O=C(NCC[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)c1cccc(Br)c1 ZINC000113354566 565069638 /nfs/dbraw/zinc/06/96/38/565069638.db2.gz GRSFREAENPAPQB-UHFFFAOYSA-N 2 2 399.292 3.154 20 0 GGADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(Cl)cc1Cl ZINC000113439305 565069817 /nfs/dbraw/zinc/06/98/17/565069817.db2.gz IUAUPTSGMAUAKC-OAHLLOKOSA-N 2 2 386.367 3.441 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](CCN2CCOCC2)CC1)c1ccc(Cl)cc1Cl ZINC000113439305 565069818 /nfs/dbraw/zinc/06/98/18/565069818.db2.gz IUAUPTSGMAUAKC-OAHLLOKOSA-N 2 2 386.367 3.441 20 0 GGADLP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000114475830 565074836 /nfs/dbraw/zinc/07/48/36/565074836.db2.gz SQUAAAGJTYLNBQ-GOSISDBHSA-N 2 2 396.373 3.419 20 0 GGADLP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000114475830 565074837 /nfs/dbraw/zinc/07/48/37/565074837.db2.gz SQUAAAGJTYLNBQ-GOSISDBHSA-N 2 2 396.373 3.419 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000156410026 565085679 /nfs/dbraw/zinc/08/56/79/565085679.db2.gz VELJUBBFSOXYTF-BBRMVZONSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000156410026 565085684 /nfs/dbraw/zinc/08/56/84/565085684.db2.gz VELJUBBFSOXYTF-BBRMVZONSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274129 565085740 /nfs/dbraw/zinc/08/57/40/565085740.db2.gz MQDPNZBBXWQHLM-GJZGRUSLSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274129 565085744 /nfs/dbraw/zinc/08/57/44/565085744.db2.gz MQDPNZBBXWQHLM-GJZGRUSLSA-N 2 2 381.973 3.105 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156565214 565094672 /nfs/dbraw/zinc/09/46/72/565094672.db2.gz HBMLLLCGPXWXJY-SUMWQHHRSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000156565214 565094674 /nfs/dbraw/zinc/09/46/74/565094674.db2.gz HBMLLLCGPXWXJY-SUMWQHHRSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266914093 565095271 /nfs/dbraw/zinc/09/52/71/565095271.db2.gz JTAWPAIFSLXLSP-ZDUSSCGKSA-N 2 2 377.286 3.299 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266914093 565095275 /nfs/dbraw/zinc/09/52/75/565095275.db2.gz JTAWPAIFSLXLSP-ZDUSSCGKSA-N 2 2 377.286 3.299 20 0 GGADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000183802027 565095333 /nfs/dbraw/zinc/09/53/33/565095333.db2.gz CDHTYOVMVUHGRT-DNVCBOLYSA-N 2 2 392.341 3.357 20 0 GGADLP Brc1cccc2c(N3CC[NH+](C4CCOCC4)CC3)cc[nH+]c12 ZINC000267040025 565102241 /nfs/dbraw/zinc/10/22/41/565102241.db2.gz LZYAIJXALJCDBT-UHFFFAOYSA-N 2 2 376.298 3.298 20 0 GGADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369651222 565104397 /nfs/dbraw/zinc/10/43/97/565104397.db2.gz XEWQWVPDWYWDPS-BZUAXINKSA-N 2 2 381.973 3.132 20 0 GGADLP CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369651222 565104403 /nfs/dbraw/zinc/10/44/03/565104403.db2.gz XEWQWVPDWYWDPS-BZUAXINKSA-N 2 2 381.973 3.132 20 0 GGADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267422361 565116541 /nfs/dbraw/zinc/11/65/41/565116541.db2.gz KXRVQQMPPUOROX-GFCCVEGCSA-N 2 2 397.342 3.072 20 0 GGADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267422361 565116545 /nfs/dbraw/zinc/11/65/45/565116545.db2.gz KXRVQQMPPUOROX-GFCCVEGCSA-N 2 2 397.342 3.072 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnn(CC(F)F)c3)[nH+]c12 ZINC000292589329 565123582 /nfs/dbraw/zinc/12/35/82/565123582.db2.gz GJDYPYICGUWDIA-UHFFFAOYSA-N 2 2 398.255 3.199 20 0 GGADLP CCn1cc[nH+]c1CN(C(=O)c1ccc(Cl)s1)[C@H]1CC12CC[NH2+]CC2 ZINC000370158859 565130621 /nfs/dbraw/zinc/13/06/21/565130621.db2.gz FJXOUQAZNNHQNE-AWEZNQCLSA-N 2 2 378.929 3.402 20 0 GGADLP CC[NH+]1CCC([N@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000157435374 565132969 /nfs/dbraw/zinc/13/29/69/565132969.db2.gz IHHYLABBYYEVAN-UHFFFAOYSA-N 2 2 375.847 3.296 20 0 GGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000157435374 565132973 /nfs/dbraw/zinc/13/29/73/565132973.db2.gz IHHYLABBYYEVAN-UHFFFAOYSA-N 2 2 375.847 3.296 20 0 GGADLP CC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000157466104 565133641 /nfs/dbraw/zinc/13/36/41/565133641.db2.gz COLLCRIVDXCYJW-CQSZACIVSA-N 2 2 382.346 3.042 20 0 GGADLP CC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000157466104 565133645 /nfs/dbraw/zinc/13/36/45/565133645.db2.gz COLLCRIVDXCYJW-CQSZACIVSA-N 2 2 382.346 3.042 20 0 GGADLP O[C@@H](C[NH2+]C1CCN(c2cccc[nH+]2)CC1)c1cccc(Br)c1 ZINC000370232675 565134841 /nfs/dbraw/zinc/13/48/41/565134841.db2.gz JVYLBMSNYWNNOG-KRWDZBQOSA-N 2 2 376.298 3.136 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157785934 565143079 /nfs/dbraw/zinc/14/30/79/565143079.db2.gz FCGIJZQRLAKPSE-DYVFJYSZSA-N 2 2 380.330 3.240 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157785934 565143084 /nfs/dbraw/zinc/14/30/84/565143084.db2.gz FCGIJZQRLAKPSE-DYVFJYSZSA-N 2 2 380.330 3.240 20 0 GGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370702670 565156681 /nfs/dbraw/zinc/15/66/81/565156681.db2.gz QSXSNYUGVVQEQT-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370702670 565156683 /nfs/dbraw/zinc/15/66/83/565156683.db2.gz QSXSNYUGVVQEQT-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000370704961 565156719 /nfs/dbraw/zinc/15/67/19/565156719.db2.gz CPGFGAORUYZVII-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000370704961 565156723 /nfs/dbraw/zinc/15/67/23/565156723.db2.gz CPGFGAORUYZVII-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(Br)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370702669 565156953 /nfs/dbraw/zinc/15/69/53/565156953.db2.gz QSXSNYUGVVQEQT-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(Br)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370702669 565156957 /nfs/dbraw/zinc/15/69/57/565156957.db2.gz QSXSNYUGVVQEQT-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP COc1cc(Cl)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000370703931 565157506 /nfs/dbraw/zinc/15/75/06/565157506.db2.gz VPJRPPFGYSNZLP-RDTXWAMCSA-N 2 2 386.367 3.460 20 0 GGADLP COc1cc(Cl)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Cl ZINC000370703931 565157512 /nfs/dbraw/zinc/15/75/12/565157512.db2.gz VPJRPPFGYSNZLP-RDTXWAMCSA-N 2 2 386.367 3.460 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+]C3CC[NH+](C(C)C)CC3)C2=O)ccc1Br ZINC000184920158 565166076 /nfs/dbraw/zinc/16/60/76/565166076.db2.gz IIOGQCNSDSWKGY-SFHVURJKSA-N 2 2 394.357 3.325 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000268764487 565166141 /nfs/dbraw/zinc/16/61/41/565166141.db2.gz NGCVIMMGPOMNMY-NRUUGDAUSA-N 2 2 375.826 3.220 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000268764487 565166146 /nfs/dbraw/zinc/16/61/46/565166146.db2.gz NGCVIMMGPOMNMY-NRUUGDAUSA-N 2 2 375.826 3.220 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000268764484 565166724 /nfs/dbraw/zinc/16/67/24/565166724.db2.gz NGCVIMMGPOMNMY-BREBYQMCSA-N 2 2 375.826 3.220 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000268764484 565166729 /nfs/dbraw/zinc/16/67/29/565166729.db2.gz NGCVIMMGPOMNMY-BREBYQMCSA-N 2 2 375.826 3.220 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000268764485 565166872 /nfs/dbraw/zinc/16/68/72/565166872.db2.gz NGCVIMMGPOMNMY-GBIKHYSHSA-N 2 2 375.826 3.220 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000268764485 565166878 /nfs/dbraw/zinc/16/68/78/565166878.db2.gz NGCVIMMGPOMNMY-GBIKHYSHSA-N 2 2 375.826 3.220 20 0 GGADLP Cc1c([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000268829693 565168943 /nfs/dbraw/zinc/16/89/43/565168943.db2.gz QRLYIOLCXMVMTC-CHWSQXEVSA-N 2 2 389.301 3.274 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158608160 565175382 /nfs/dbraw/zinc/17/53/82/565175382.db2.gz IWXSEIQOZRLZDC-QAPCUYQASA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158608160 565175389 /nfs/dbraw/zinc/17/53/89/565175389.db2.gz IWXSEIQOZRLZDC-QAPCUYQASA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158608160 565175395 /nfs/dbraw/zinc/17/53/95/565175395.db2.gz IWXSEIQOZRLZDC-QAPCUYQASA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158608160 565175400 /nfs/dbraw/zinc/17/54/00/565175400.db2.gz IWXSEIQOZRLZDC-QAPCUYQASA-N 2 2 384.351 3.368 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)ccc3Br)C2)CC1 ZINC000371107289 565177172 /nfs/dbraw/zinc/17/71/72/565177172.db2.gz HUGVPTWPDVVWOB-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)ccc3Br)C2)CC1 ZINC000371107289 565177178 /nfs/dbraw/zinc/17/71/78/565177178.db2.gz HUGVPTWPDVVWOB-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP Fc1ccc(CC2([NH2+]CCn3cc[nH+]c3)CCOCC2)c(Br)c1 ZINC000293692765 565179828 /nfs/dbraw/zinc/17/98/28/565179828.db2.gz WLTPWFFGDMYQPE-UHFFFAOYSA-N 2 2 382.277 3.166 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371305616 565185347 /nfs/dbraw/zinc/18/53/47/565185347.db2.gz ZMISYYZIIWHZPP-KDOFPFPSSA-N 2 2 384.337 3.046 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000158909233 565185524 /nfs/dbraw/zinc/18/55/24/565185524.db2.gz HAVXCJFZMZGFCP-AAEUAGOBSA-N 2 2 397.342 3.477 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000158909233 565185531 /nfs/dbraw/zinc/18/55/31/565185531.db2.gz HAVXCJFZMZGFCP-AAEUAGOBSA-N 2 2 397.342 3.477 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000158909233 565185537 /nfs/dbraw/zinc/18/55/37/565185537.db2.gz HAVXCJFZMZGFCP-AAEUAGOBSA-N 2 2 397.342 3.477 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)CC[C@@H]21 ZINC000158909233 565185544 /nfs/dbraw/zinc/18/55/44/565185544.db2.gz HAVXCJFZMZGFCP-AAEUAGOBSA-N 2 2 397.342 3.477 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371470075 565194995 /nfs/dbraw/zinc/19/49/95/565194995.db2.gz IOROSIWDMPPHIB-FHLIZLRMSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371470075 565195001 /nfs/dbraw/zinc/19/50/01/565195001.db2.gz IOROSIWDMPPHIB-FHLIZLRMSA-N 2 2 383.330 3.141 20 0 GGADLP CN(Cc1c(Cl)cccc1Cl)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000270391354 565217230 /nfs/dbraw/zinc/21/72/30/565217230.db2.gz MSXUODLYZRPGIA-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730764 565219375 /nfs/dbraw/zinc/21/93/75/565219375.db2.gz ZIEKHFXKWMJUGP-XUWXXGDYSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@@H]([NH2+][C@H](C(N)=O)c1cccc(Br)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730764 565219378 /nfs/dbraw/zinc/21/93/78/565219378.db2.gz ZIEKHFXKWMJUGP-XUWXXGDYSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000270802916 565228909 /nfs/dbraw/zinc/22/89/09/565228909.db2.gz ARKSHSYTBIRGBD-OAHLLOKOSA-N 2 2 396.373 3.037 20 0 GGADLP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000270802916 565228911 /nfs/dbraw/zinc/22/89/11/565228911.db2.gz ARKSHSYTBIRGBD-OAHLLOKOSA-N 2 2 396.373 3.037 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372329370 565232186 /nfs/dbraw/zinc/23/21/86/565232186.db2.gz BMKCQZLVRSCGCR-KSSFIOAISA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372329370 565232188 /nfs/dbraw/zinc/23/21/88/565232188.db2.gz BMKCQZLVRSCGCR-KSSFIOAISA-N 2 2 384.337 3.046 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000270919930 565232208 /nfs/dbraw/zinc/23/22/08/565232208.db2.gz OYSIFQZSZPMYBL-UHFFFAOYSA-N 2 2 380.374 3.440 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccccc1Br ZINC000372392381 565235134 /nfs/dbraw/zinc/23/51/34/565235134.db2.gz WDMPUNJZZULACW-HFTRVMKXSA-N 2 2 383.330 3.011 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1ccccc1Br ZINC000372392381 565235142 /nfs/dbraw/zinc/23/51/42/565235142.db2.gz WDMPUNJZZULACW-HFTRVMKXSA-N 2 2 383.330 3.011 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000186029164 565235677 /nfs/dbraw/zinc/23/56/77/565235677.db2.gz SZUPQICLFSTYQA-UHFFFAOYSA-N 2 2 377.838 3.115 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)nc1)c1ncc(Br)cc1F ZINC000372408664 565236458 /nfs/dbraw/zinc/23/64/58/565236458.db2.gz MBCKIHSTXAVRGM-LLVKDONJSA-N 2 2 376.233 3.415 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000271717638 565265888 /nfs/dbraw/zinc/26/58/88/565265888.db2.gz CJEHQPQNNGROPS-INIZCTEOSA-N 2 2 389.323 3.034 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000271776099 565267738 /nfs/dbraw/zinc/26/77/38/565267738.db2.gz GCPSBRNMCKCEIM-KRWDZBQOSA-N 2 2 389.323 3.034 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000373116438 565270751 /nfs/dbraw/zinc/27/07/51/565270751.db2.gz VZNOEPKJNFVTJU-LBPRGKRZSA-N 2 2 395.276 3.140 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2F)C1 ZINC000373116438 565270752 /nfs/dbraw/zinc/27/07/52/565270752.db2.gz VZNOEPKJNFVTJU-LBPRGKRZSA-N 2 2 395.276 3.140 20 0 GGADLP C[N@H+](Cc1cccc(Br)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000272383011 565286536 /nfs/dbraw/zinc/28/65/36/565286536.db2.gz FLXJXXWAVMEVJQ-UHFFFAOYSA-N 2 2 389.341 3.378 20 0 GGADLP C[N@@H+](Cc1cccc(Br)n1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000272383011 565286540 /nfs/dbraw/zinc/28/65/40/565286540.db2.gz FLXJXXWAVMEVJQ-UHFFFAOYSA-N 2 2 389.341 3.378 20 0 GGADLP Cc1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1Br ZINC000161755725 565293318 /nfs/dbraw/zinc/29/33/18/565293318.db2.gz CQHWMEIMTPDAQO-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP CS(=O)(=O)CC1CCC([NH2+]Cc2c(Cl)cccc2-n2cc[nH+]c2)CC1 ZINC000296133879 565303376 /nfs/dbraw/zinc/30/33/76/565303376.db2.gz URCPWJQIDRHWFI-UHFFFAOYSA-N 2 2 381.929 3.219 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000296278859 565309959 /nfs/dbraw/zinc/30/99/59/565309959.db2.gz DXJBSPWYSHQDPR-RULNRJAQSA-N 2 2 391.151 3.425 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000296278859 565309963 /nfs/dbraw/zinc/30/99/63/565309963.db2.gz DXJBSPWYSHQDPR-RULNRJAQSA-N 2 2 391.151 3.425 20 0 GGADLP NC(=O)[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000162217427 565310211 /nfs/dbraw/zinc/31/02/11/565310211.db2.gz AVKDUWMKXVCUAP-GOSISDBHSA-N 2 2 394.357 3.362 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCc1cn2ccccc2[nH+]1 ZINC000187114714 565311053 /nfs/dbraw/zinc/31/10/53/565311053.db2.gz VTPCCWYDFWXIDZ-UHFFFAOYSA-N 2 2 377.897 3.114 20 0 GGADLP Cc1cc(Br)cn2c(C[N@@H+]3CCS[C@H]4COCC[C@H]43)c[nH+]c12 ZINC000273221462 565313192 /nfs/dbraw/zinc/31/31/92/565313192.db2.gz VKUZSNRNZDGRIM-CABCVRRESA-N 2 2 382.327 3.112 20 0 GGADLP Cc1cc(Br)cn2c(C[N@H+]3CCS[C@H]4COCC[C@H]43)c[nH+]c12 ZINC000273221462 565313195 /nfs/dbraw/zinc/31/31/95/565313195.db2.gz VKUZSNRNZDGRIM-CABCVRRESA-N 2 2 382.327 3.112 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ncc(Br)cc1F ZINC000187224090 565317237 /nfs/dbraw/zinc/31/72/37/565317237.db2.gz QABDJGVAYLMGKQ-OLZOCXBDSA-N 2 2 386.309 3.135 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ncc(Br)cc1F ZINC000187224071 565317247 /nfs/dbraw/zinc/31/72/47/565317247.db2.gz QABDJGVAYLMGKQ-STQMWFEESA-N 2 2 386.309 3.135 20 0 GGADLP CC[C@@H]([NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)c1cnn(C)c1 ZINC000273412439 565319605 /nfs/dbraw/zinc/31/96/05/565319605.db2.gz IABCIABXKSIPKG-MRXNPFEDSA-N 2 2 376.302 3.422 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)[nH+]c12 ZINC000273433599 565320364 /nfs/dbraw/zinc/32/03/64/565320364.db2.gz LKTWBOSGRWNOGX-CKEIUWERSA-N 3 2 379.346 3.266 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)[nH+]c12 ZINC000273433599 565320366 /nfs/dbraw/zinc/32/03/66/565320366.db2.gz LKTWBOSGRWNOGX-CKEIUWERSA-N 3 2 379.346 3.266 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)[nH+]c12 ZINC000273442467 565321106 /nfs/dbraw/zinc/32/11/06/565321106.db2.gz NAHZSPBROKDHST-RDJZCZTQSA-N 3 2 377.330 3.164 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)[nH+]c12 ZINC000273442467 565321110 /nfs/dbraw/zinc/32/11/10/565321110.db2.gz NAHZSPBROKDHST-RDJZCZTQSA-N 3 2 377.330 3.164 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)[nH+]c12 ZINC000273442469 565321358 /nfs/dbraw/zinc/32/13/58/565321358.db2.gz NAHZSPBROKDHST-WBVHZDCISA-N 3 2 377.330 3.164 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)[nH+]c12 ZINC000273442469 565321362 /nfs/dbraw/zinc/32/13/62/565321362.db2.gz NAHZSPBROKDHST-WBVHZDCISA-N 3 2 377.330 3.164 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000187367892 565327943 /nfs/dbraw/zinc/32/79/43/565327943.db2.gz LDTPELHIKRMHNA-GUYCJALGSA-N 2 2 396.304 3.310 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000187367892 565327947 /nfs/dbraw/zinc/32/79/47/565327947.db2.gz LDTPELHIKRMHNA-GUYCJALGSA-N 2 2 396.304 3.310 20 0 GGADLP FC(F)(F)CN1CCC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000163030448 565334754 /nfs/dbraw/zinc/33/47/54/565334754.db2.gz BIIMPMQWZTUUKA-UHFFFAOYSA-N 2 2 379.536 3.354 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ncc1F ZINC000273819463 565339018 /nfs/dbraw/zinc/33/90/18/565339018.db2.gz CMWLRXGZVSGVSI-OLZOCXBDSA-N 2 2 386.309 3.135 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(Br)ncc1F ZINC000273819470 565339152 /nfs/dbraw/zinc/33/91/52/565339152.db2.gz CMWLRXGZVSGVSI-STQMWFEESA-N 2 2 386.309 3.135 20 0 GGADLP Brc1cc2cccnc2c(C[N@@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000163710373 565349579 /nfs/dbraw/zinc/34/95/79/565349579.db2.gz WUQRIRNVJGIUKS-HNNXBMFYSA-N 2 2 390.325 3.151 20 0 GGADLP Brc1cc2cccnc2c(C[N@H+]2CC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000163710373 565349586 /nfs/dbraw/zinc/34/95/86/565349586.db2.gz WUQRIRNVJGIUKS-HNNXBMFYSA-N 2 2 390.325 3.151 20 0 GGADLP COC1CC[NH+](CC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000163670909 565349667 /nfs/dbraw/zinc/34/96/67/565349667.db2.gz ZAAVTOFQLUGMJD-QGZVFWFLSA-N 2 2 383.330 3.363 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000274694379 565377332 /nfs/dbraw/zinc/37/73/32/565377332.db2.gz VWBYXANLABOBIW-SECBINFHSA-N 2 2 388.107 3.169 20 0 GGADLP CSC[C@@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000188112586 565380288 /nfs/dbraw/zinc/38/02/88/565380288.db2.gz KWRWDYWDQIHQBO-KRWDZBQOSA-N 2 2 376.488 3.326 20 0 GGADLP CSC[C@@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000188112586 565380290 /nfs/dbraw/zinc/38/02/90/565380290.db2.gz KWRWDYWDQIHQBO-KRWDZBQOSA-N 2 2 376.488 3.326 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000375317161 565381036 /nfs/dbraw/zinc/38/10/36/565381036.db2.gz FVOQELODEXYTIU-CYBMUJFWSA-N 2 2 391.313 3.489 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]C3CC[NH+](C4CC4)CC3)[nH+]c12 ZINC000297716790 565383539 /nfs/dbraw/zinc/38/35/39/565383539.db2.gz RNIOWUGMRQMQSK-UHFFFAOYSA-N 3 2 377.330 3.164 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ncc(Br)cc1F ZINC000275342603 565404550 /nfs/dbraw/zinc/40/45/50/565404550.db2.gz PAMGGAVJHBOFEN-XZJROXQQSA-N 2 2 386.309 3.012 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ncc(Br)cc1F ZINC000275342589 565405051 /nfs/dbraw/zinc/40/50/51/565405051.db2.gz PAMGGAVJHBOFEN-UVBJJODRSA-N 2 2 386.309 3.012 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375813698 565406661 /nfs/dbraw/zinc/40/66/61/565406661.db2.gz KBJWOGUTNAWXJX-KDOFPFPSSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375813698 565406663 /nfs/dbraw/zinc/40/66/63/565406663.db2.gz KBJWOGUTNAWXJX-KDOFPFPSSA-N 2 2 384.337 3.046 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3nc4ccsc4s3)CC2)CC1 ZINC000275790589 565427126 /nfs/dbraw/zinc/42/71/26/565427126.db2.gz SIPLHLHQEGYYRZ-UHFFFAOYSA-N 2 2 379.555 3.038 20 0 GGADLP CCSc1cc(Cl)ccc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376374077 565433447 /nfs/dbraw/zinc/43/34/47/565433447.db2.gz BJMWQRPJSCSASM-HNNXBMFYSA-N 2 2 381.973 3.350 20 0 GGADLP CCSc1cc(Cl)ccc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376374077 565433451 /nfs/dbraw/zinc/43/34/51/565433451.db2.gz BJMWQRPJSCSASM-HNNXBMFYSA-N 2 2 381.973 3.350 20 0 GGADLP Brc1ccc(-n2cc(C[NH2+]Cc3c[nH+]c4n3CCCC4)cn2)cc1 ZINC000376729139 565451281 /nfs/dbraw/zinc/45/12/81/565451281.db2.gz OJPUPMUZIHEQMM-UHFFFAOYSA-N 2 2 386.297 3.457 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000276577745 565453298 /nfs/dbraw/zinc/45/32/98/565453298.db2.gz CCSYKJQFPANYTC-YPMHNXCESA-N 2 2 394.279 3.364 20 0 GGADLP C[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000276577745 565453299 /nfs/dbraw/zinc/45/32/99/565453299.db2.gz CCSYKJQFPANYTC-YPMHNXCESA-N 2 2 394.279 3.364 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000276577735 565453648 /nfs/dbraw/zinc/45/36/48/565453648.db2.gz CCSYKJQFPANYTC-DGCLKSJQSA-N 2 2 394.279 3.364 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000276577735 565453651 /nfs/dbraw/zinc/45/36/51/565453651.db2.gz CCSYKJQFPANYTC-DGCLKSJQSA-N 2 2 394.279 3.364 20 0 GGADLP CN(Cc1csc(-c2cccs2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376800176 565455691 /nfs/dbraw/zinc/45/56/91/565455691.db2.gz XLXUHZCLMAVFBW-QGZVFWFLSA-N 2 2 376.595 3.472 20 0 GGADLP CN(Cc1csc(-c2cccs2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376800176 565455696 /nfs/dbraw/zinc/45/56/96/565455696.db2.gz XLXUHZCLMAVFBW-QGZVFWFLSA-N 2 2 376.595 3.472 20 0 GGADLP COC(=O)C1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)CC1 ZINC000276952650 565468712 /nfs/dbraw/zinc/46/87/12/565468712.db2.gz AIHYPJDTJAQIBX-UHFFFAOYSA-N 2 2 394.313 3.269 20 0 GGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000276960335 565469326 /nfs/dbraw/zinc/46/93/26/565469326.db2.gz LWVLPAUZYGKXQI-RDJZCZTQSA-N 2 2 379.298 3.015 20 0 GGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000276960335 565469333 /nfs/dbraw/zinc/46/93/33/565469333.db2.gz LWVLPAUZYGKXQI-RDJZCZTQSA-N 2 2 379.298 3.015 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000277161783 565479805 /nfs/dbraw/zinc/47/98/05/565479805.db2.gz KEVNYBUOWYOEDG-WMLDXEAASA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000277161783 565479810 /nfs/dbraw/zinc/47/98/10/565479810.db2.gz KEVNYBUOWYOEDG-WMLDXEAASA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000277161787 565480733 /nfs/dbraw/zinc/48/07/33/565480733.db2.gz KEVNYBUOWYOEDG-YOEHRIQHSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000277161787 565480738 /nfs/dbraw/zinc/48/07/38/565480738.db2.gz KEVNYBUOWYOEDG-YOEHRIQHSA-N 2 2 382.346 3.042 20 0 GGADLP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000277289643 565488008 /nfs/dbraw/zinc/48/80/08/565488008.db2.gz ANQAIDIZDQPCOC-SFHVURJKSA-N 2 2 396.373 3.202 20 0 GGADLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000277289643 565488010 /nfs/dbraw/zinc/48/80/10/565488010.db2.gz ANQAIDIZDQPCOC-SFHVURJKSA-N 2 2 396.373 3.202 20 0 GGADLP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000301469426 565488531 /nfs/dbraw/zinc/48/85/31/565488531.db2.gz RYEWUJYNZJTTHP-AWEZNQCLSA-N 2 2 376.298 3.156 20 0 GGADLP Brc1cccc2c(N3CC[C@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000301471075 565488961 /nfs/dbraw/zinc/48/89/61/565488961.db2.gz SXSXLEISTYHMPQ-CQSZACIVSA-N 2 2 376.298 3.156 20 0 GGADLP CCOC(=O)C[N@@H+]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301557840 565494781 /nfs/dbraw/zinc/49/47/81/565494781.db2.gz ICRKAENKQOTYJV-UHFFFAOYSA-N 2 2 392.297 3.073 20 0 GGADLP CCOC(=O)C[N@H+]1CCCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301557840 565494784 /nfs/dbraw/zinc/49/47/84/565494784.db2.gz ICRKAENKQOTYJV-UHFFFAOYSA-N 2 2 392.297 3.073 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000377827641 565501658 /nfs/dbraw/zinc/50/16/58/565501658.db2.gz YNHJXLFNQUBEBK-CQSZACIVSA-N 2 2 392.297 3.333 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000377827641 565501663 /nfs/dbraw/zinc/50/16/63/565501663.db2.gz YNHJXLFNQUBEBK-CQSZACIVSA-N 2 2 392.297 3.333 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000377887291 565503910 /nfs/dbraw/zinc/50/39/10/565503910.db2.gz DXXNAZFCHRZAHH-LBPRGKRZSA-N 2 2 380.286 3.189 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(OC)c1 ZINC000377887291 565503913 /nfs/dbraw/zinc/50/39/13/565503913.db2.gz DXXNAZFCHRZAHH-LBPRGKRZSA-N 2 2 380.286 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Br)ccc3F)C2)CC1 ZINC000377902799 565504495 /nfs/dbraw/zinc/50/44/95/565504495.db2.gz GEZFCVGGMOTBSI-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Br)ccc3F)C2)CC1 ZINC000377902799 565504498 /nfs/dbraw/zinc/50/44/98/565504498.db2.gz GEZFCVGGMOTBSI-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394636466 565572584 /nfs/dbraw/zinc/57/25/84/565572584.db2.gz PBROSMJBYBEXIN-LLVKDONJSA-N 2 2 391.151 3.427 20 0 GGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000394636466 565572588 /nfs/dbraw/zinc/57/25/88/565572588.db2.gz PBROSMJBYBEXIN-LLVKDONJSA-N 2 2 391.151 3.427 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000397339503 565575239 /nfs/dbraw/zinc/57/52/39/565575239.db2.gz VEPWKZPFHMHKQC-BZPMIXESSA-N 2 2 379.302 3.304 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000397339503 565575243 /nfs/dbraw/zinc/57/52/43/565575243.db2.gz VEPWKZPFHMHKQC-BZPMIXESSA-N 2 2 379.302 3.304 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1Br ZINC000309833111 565577859 /nfs/dbraw/zinc/57/78/59/565577859.db2.gz SVTHKGZBHWTHSA-INIZCTEOSA-N 2 2 377.330 3.103 20 0 GGADLP Cc1nn(C)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000309833111 565577863 /nfs/dbraw/zinc/57/78/63/565577863.db2.gz SVTHKGZBHWTHSA-INIZCTEOSA-N 2 2 377.330 3.103 20 0 GGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@H]1CC[NH3+] ZINC000404341097 565583126 /nfs/dbraw/zinc/58/31/26/565583126.db2.gz DWUPVHYOIQVZEU-NHYWBVRUSA-N 2 2 388.737 3.490 20 0 GGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@H]1CC[NH3+] ZINC000404341097 565583131 /nfs/dbraw/zinc/58/31/31/565583131.db2.gz DWUPVHYOIQVZEU-NHYWBVRUSA-N 2 2 388.737 3.490 20 0 GGADLP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@@H]1CC[NH3+] ZINC000404341096 565583251 /nfs/dbraw/zinc/58/32/51/565583251.db2.gz DWUPVHYOIQVZEU-IAQYHMDHSA-N 2 2 388.737 3.490 20 0 GGADLP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@@H]1CC[NH3+] ZINC000404341096 565583253 /nfs/dbraw/zinc/58/32/53/565583253.db2.gz DWUPVHYOIQVZEU-IAQYHMDHSA-N 2 2 388.737 3.490 20 0 GGADLP CC[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000173933213 565600522 /nfs/dbraw/zinc/60/05/22/565600522.db2.gz HLVHZAAAWZAHRG-SFHVURJKSA-N 2 2 379.595 3.001 20 0 GGADLP CC[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000173933213 565600527 /nfs/dbraw/zinc/60/05/27/565600527.db2.gz HLVHZAAAWZAHRG-SFHVURJKSA-N 2 2 379.595 3.001 20 0 GGADLP Cc1nn(C)c(C[NH2+]CCCc2[nH+]c3ccccc3n2C)c1Br ZINC000279201560 565601789 /nfs/dbraw/zinc/60/17/89/565601789.db2.gz UZCBBFBPCFUEST-UHFFFAOYSA-N 2 2 376.302 3.100 20 0 GGADLP COCCC[N@H+](C)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191518803 565610550 /nfs/dbraw/zinc/61/05/50/565610550.db2.gz UURHJDGUQIMUEN-LJQANCHMSA-N 2 2 399.373 3.475 20 0 GGADLP COCCC[N@@H+](C)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191518803 565610556 /nfs/dbraw/zinc/61/05/56/565610556.db2.gz UURHJDGUQIMUEN-LJQANCHMSA-N 2 2 399.373 3.475 20 0 GGADLP FC(F)(F)Oc1ccc(C[NH2+]CCC[NH+]2CCOCC2)cc1Br ZINC000323585200 565614305 /nfs/dbraw/zinc/61/43/05/565614305.db2.gz AZSPSFAJJPOZCH-UHFFFAOYSA-N 2 2 397.235 3.160 20 0 GGADLP COC(=O)C[N@H+](CCCCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000191612714 565616557 /nfs/dbraw/zinc/61/65/57/565616557.db2.gz YMFNLLXYRFCEBF-UHFFFAOYSA-N 2 2 394.313 3.409 20 0 GGADLP COC(=O)C[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccc(Br)c1 ZINC000191612714 565616560 /nfs/dbraw/zinc/61/65/60/565616560.db2.gz YMFNLLXYRFCEBF-UHFFFAOYSA-N 2 2 394.313 3.409 20 0 GGADLP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 ZINC000325317188 565621331 /nfs/dbraw/zinc/62/13/31/565621331.db2.gz BJOITHJSMJPLFC-UHFFFAOYSA-N 2 2 394.730 3.415 20 0 GGADLP C[C@@H](CO)[N@@H+]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000409667723 565631622 /nfs/dbraw/zinc/63/16/22/565631622.db2.gz VLNUICMXSXUSTD-LBPRGKRZSA-N 2 2 382.277 3.029 20 0 GGADLP C[C@@H](CO)[N@H+]1CCCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000409667723 565631627 /nfs/dbraw/zinc/63/16/27/565631627.db2.gz VLNUICMXSXUSTD-LBPRGKRZSA-N 2 2 382.277 3.029 20 0 GGADLP Cc1nn(C)c(C[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)c1Br ZINC000279775810 565633030 /nfs/dbraw/zinc/63/30/30/565633030.db2.gz GWLNREYNFINBPD-UHFFFAOYSA-N 2 2 379.302 3.238 20 0 GGADLP Cc1c[nH+]ccc1CC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280106152 565652478 /nfs/dbraw/zinc/65/24/78/565652478.db2.gz NKHNMTUNCYIWFJ-LLVKDONJSA-N 2 2 388.320 3.238 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000174808999 565661562 /nfs/dbraw/zinc/66/15/62/565661562.db2.gz VKSJNGWQMUUBEU-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000174808999 565661566 /nfs/dbraw/zinc/66/15/66/565661566.db2.gz VKSJNGWQMUUBEU-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174955729 565669986 /nfs/dbraw/zinc/66/99/86/565669986.db2.gz NEDMWFBAKHENMQ-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174955729 565669990 /nfs/dbraw/zinc/66/99/90/565669990.db2.gz NEDMWFBAKHENMQ-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174955729 565669992 /nfs/dbraw/zinc/66/99/92/565669992.db2.gz NEDMWFBAKHENMQ-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000174955729 565669995 /nfs/dbraw/zinc/66/99/95/565669995.db2.gz NEDMWFBAKHENMQ-GJZGRUSLSA-N 2 2 382.346 3.440 20 0 GGADLP Brc1cncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355936 565681958 /nfs/dbraw/zinc/68/19/58/565681958.db2.gz IYUGGXDBZUBPBP-LJQANCHMSA-N 2 2 390.325 3.225 20 0 GGADLP Brc1cncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c1 ZINC000192355936 565681963 /nfs/dbraw/zinc/68/19/63/565681963.db2.gz IYUGGXDBZUBPBP-LJQANCHMSA-N 2 2 390.325 3.225 20 0 GGADLP Brc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192356707 565682467 /nfs/dbraw/zinc/68/24/67/565682467.db2.gz SANYSSQZYWWNGY-KRWDZBQOSA-N 2 2 379.298 3.423 20 0 GGADLP Brc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192356707 565682475 /nfs/dbraw/zinc/68/24/75/565682475.db2.gz SANYSSQZYWWNGY-KRWDZBQOSA-N 2 2 379.298 3.423 20 0 GGADLP CCS(=O)(=O)c1ccc(C[NH2+]Cc2c[nH+]c(C)n2-c2ccccc2)s1 ZINC000280601642 565682819 /nfs/dbraw/zinc/68/28/19/565682819.db2.gz OCCNIPMCNPVJTC-UHFFFAOYSA-N 2 2 375.519 3.326 20 0 GGADLP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1cccc(Br)c1 ZINC000330337922 565701625 /nfs/dbraw/zinc/70/16/25/565701625.db2.gz UQSVLNSBOLBOAV-MRXNPFEDSA-N 2 2 389.297 3.157 20 0 GGADLP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192622163 565702075 /nfs/dbraw/zinc/70/20/75/565702075.db2.gz TTZQNWMNHLKOFU-ROUUACIJSA-N 2 2 385.321 3.446 20 0 GGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192622190 565703101 /nfs/dbraw/zinc/70/31/01/565703101.db2.gz TTZQNWMNHLKOFU-ZWKOTPCHSA-N 2 2 385.321 3.446 20 0 GGADLP CC[C@@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280999100 565707540 /nfs/dbraw/zinc/70/75/40/565707540.db2.gz XMXPDCHZLSFWEE-QGZVFWFLSA-N 2 2 381.929 3.235 20 0 GGADLP CC[C@H]([NH2+]CCc1cc[nH+]cc1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280999098 565708052 /nfs/dbraw/zinc/70/80/52/565708052.db2.gz XMXPDCHZLSFWEE-KRWDZBQOSA-N 2 2 381.929 3.235 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3ncc(Cl)n3C)[nH+]c12 ZINC000281569717 565738187 /nfs/dbraw/zinc/73/81/87/565738187.db2.gz CNEDAEXRLBOWKD-UHFFFAOYSA-N 2 2 382.693 3.124 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332165014 565811591 /nfs/dbraw/zinc/81/15/91/565811591.db2.gz PGYMAQHONQKUEE-QWHCGFSZSA-N 2 2 377.286 3.379 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000332165014 565811594 /nfs/dbraw/zinc/81/15/94/565811594.db2.gz PGYMAQHONQKUEE-QWHCGFSZSA-N 2 2 377.286 3.379 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000177152719 565831698 /nfs/dbraw/zinc/83/16/98/565831698.db2.gz UHQRYWJLRHCBPP-IRXDYDNUSA-N 2 2 384.351 3.239 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000177153706 565832299 /nfs/dbraw/zinc/83/22/99/565832299.db2.gz YJWJYKZWOPUUKI-MSOLQXFVSA-N 2 2 384.351 3.239 20 0 GGADLP CSc1ccc([C@H](CNC(=O)[C@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000195173477 565864090 /nfs/dbraw/zinc/86/40/90/565864090.db2.gz HMLQRFXMBFZRBZ-GUYCJALGSA-N 2 2 375.563 3.033 20 0 GGADLP CSc1ccc([C@H](CNC(=O)[C@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000195173477 565864093 /nfs/dbraw/zinc/86/40/93/565864093.db2.gz HMLQRFXMBFZRBZ-GUYCJALGSA-N 2 2 375.563 3.033 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cccc(Br)c3)CC2)CC1 ZINC000195341755 565876279 /nfs/dbraw/zinc/87/62/79/565876279.db2.gz WBUZOZRWDLZADN-UHFFFAOYSA-N 2 2 395.345 3.129 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414151745 565899355 /nfs/dbraw/zinc/89/93/55/565899355.db2.gz ZDAQVXHDDUWQBL-MOPGFXCFSA-N 2 2 375.310 3.195 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414151745 565899361 /nfs/dbraw/zinc/89/93/61/565899361.db2.gz ZDAQVXHDDUWQBL-MOPGFXCFSA-N 2 2 375.310 3.195 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2c[nH+]cn2C)C1=O ZINC000285518267 565911894 /nfs/dbraw/zinc/91/18/94/565911894.db2.gz OTODQUUAQYUXGD-INIZCTEOSA-N 2 2 391.313 3.085 20 0 GGADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414352098 565913745 /nfs/dbraw/zinc/91/37/45/565913745.db2.gz PEAAYCKRXFQNND-MGPUTAFESA-N 2 2 392.385 3.486 20 0 GGADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414352098 565913749 /nfs/dbraw/zinc/91/37/49/565913749.db2.gz PEAAYCKRXFQNND-MGPUTAFESA-N 2 2 392.385 3.486 20 0 GGADLP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000414356041 565914778 /nfs/dbraw/zinc/91/47/78/565914778.db2.gz YGTKAMHZTMZTMU-HNAYVOBHSA-N 2 2 380.374 3.343 20 0 GGADLP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000414356041 565914784 /nfs/dbraw/zinc/91/47/84/565914784.db2.gz YGTKAMHZTMZTMU-HNAYVOBHSA-N 2 2 380.374 3.343 20 0 GGADLP CO[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414363689 565915828 /nfs/dbraw/zinc/91/58/28/565915828.db2.gz HBPICOPHMCWXAM-MLGOLLRUSA-N 2 2 381.318 3.114 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c2ccsc2S1 ZINC000285614386 565916718 /nfs/dbraw/zinc/91/67/18/565916718.db2.gz JHYXDUJPKPHKKY-CALVTZMJSA-N 2 2 379.595 3.347 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c2ccsc2S1 ZINC000285614386 565916722 /nfs/dbraw/zinc/91/67/22/565916722.db2.gz JHYXDUJPKPHKKY-CALVTZMJSA-N 2 2 379.595 3.347 20 0 GGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccc(Br)c1 ZINC000414380854 565919702 /nfs/dbraw/zinc/91/97/02/565919702.db2.gz PFZHILHUPODOQH-IBGZPJMESA-N 2 2 390.325 3.132 20 0 GGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2cccnc2)CC1)c1cccc(Br)c1 ZINC000414380857 565920067 /nfs/dbraw/zinc/92/00/67/565920067.db2.gz PFZHILHUPODOQH-LJQANCHMSA-N 2 2 390.325 3.132 20 0 GGADLP Cc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)nn1 ZINC000414441720 565933824 /nfs/dbraw/zinc/93/38/24/565933824.db2.gz KAKBUFAUQBNDGI-UHFFFAOYSA-N 2 2 376.258 3.039 20 0 GGADLP Cc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)nn1 ZINC000414441720 565933829 /nfs/dbraw/zinc/93/38/29/565933829.db2.gz KAKBUFAUQBNDGI-UHFFFAOYSA-N 2 2 376.258 3.039 20 0 GGADLP COc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(Br)c1OC(F)F ZINC000237111854 565951886 /nfs/dbraw/zinc/95/18/86/565951886.db2.gz VRGROEQWCJMMGU-UHFFFAOYSA-N 2 2 379.245 3.243 20 0 GGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(C(=O)Nc2cccc(Br)c2)CC1 ZINC000414744295 565957544 /nfs/dbraw/zinc/95/75/44/565957544.db2.gz JONBFFXLZKWXPX-UHFFFAOYSA-N 2 2 382.346 3.488 20 0 GGADLP [NH3+][C@H](C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1)C1CC1 ZINC000414886145 565964011 /nfs/dbraw/zinc/96/40/11/565964011.db2.gz HEDYVKGINCFSCP-QGZVFWFLSA-N 2 2 376.298 3.250 20 0 GGADLP CCCOc1c(Br)cc(Br)cc1C[NH2+][C@H](C)C[NH3+] ZINC000414927057 565965014 /nfs/dbraw/zinc/96/50/14/565965014.db2.gz KUGSCIMWTBFOQD-SECBINFHSA-N 2 2 380.124 3.437 20 0 GGADLP C[C@]1(C[NH2+]Cc2ncc(Br)cc2Br)CCC[NH2+]C1 ZINC000414919533 565965631 /nfs/dbraw/zinc/96/56/31/565965631.db2.gz XHXNJTFDLCOZKN-ZDUSSCGKSA-N 2 2 377.124 3.086 20 0 GGADLP COc1cc(C[N@H+](C)CC[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000415101884 565973099 /nfs/dbraw/zinc/97/30/99/565973099.db2.gz DAMOZNLVJSHOPO-UHFFFAOYSA-N 2 2 379.298 3.427 20 0 GGADLP COc1cc(C[N@@H+](C)CC[NH3+])ccc1OCc1ccc(Br)cc1 ZINC000415101884 565973101 /nfs/dbraw/zinc/97/31/01/565973101.db2.gz DAMOZNLVJSHOPO-UHFFFAOYSA-N 2 2 379.298 3.427 20 0 GGADLP [NH3+]C1(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000237895743 565974523 /nfs/dbraw/zinc/97/45/23/565974523.db2.gz RHJROBPYTDZJIG-INIZCTEOSA-N 2 2 375.925 3.108 20 0 GGADLP [NH3+]C1(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000237895743 565974526 /nfs/dbraw/zinc/97/45/26/565974526.db2.gz RHJROBPYTDZJIG-INIZCTEOSA-N 2 2 375.925 3.108 20 0 GGADLP O=C(NCCC[NH2+]Cc1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000179422205 565979943 /nfs/dbraw/zinc/97/99/43/565979943.db2.gz XHNOQPWQBQGLJV-UHFFFAOYSA-N 2 2 387.281 3.007 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(F)cccc3Br)C2)CC1 ZINC000362623356 565980802 /nfs/dbraw/zinc/98/08/02/565980802.db2.gz RFLRYSFJJYUFLN-OAHLLOKOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(F)cccc3Br)C2)CC1 ZINC000362623356 565980807 /nfs/dbraw/zinc/98/08/07/565980807.db2.gz RFLRYSFJJYUFLN-OAHLLOKOSA-N 2 2 384.337 3.189 20 0 GGADLP Brc1ccc2c(c1)[C@H]([N@@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000179613722 565992586 /nfs/dbraw/zinc/99/25/86/565992586.db2.gz JHROUPYWRFUSOO-DNVCBOLYSA-N 2 2 379.342 3.481 20 0 GGADLP Brc1ccc2c(c1)[C@H]([N@H+]1CC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000179613722 565992592 /nfs/dbraw/zinc/99/25/92/565992592.db2.gz JHROUPYWRFUSOO-DNVCBOLYSA-N 2 2 379.342 3.481 20 0 GGADLP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Cl)c1Cl ZINC000179610962 565992893 /nfs/dbraw/zinc/99/28/93/565992893.db2.gz COHNHUSJIPZDOW-UHFFFAOYSA-N 2 2 380.323 3.167 20 0 GGADLP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Cl)c1Cl ZINC000179610962 565992894 /nfs/dbraw/zinc/99/28/94/565992894.db2.gz COHNHUSJIPZDOW-UHFFFAOYSA-N 2 2 380.323 3.167 20 0 GGADLP C[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000245590991 565997188 /nfs/dbraw/zinc/99/71/88/565997188.db2.gz KSGOMDDXHSQDDM-SWLSCSKDSA-N 2 2 378.270 3.457 20 0 GGADLP C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000245590991 565997193 /nfs/dbraw/zinc/99/71/93/565997193.db2.gz KSGOMDDXHSQDDM-SWLSCSKDSA-N 2 2 378.270 3.457 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000245878134 566009408 /nfs/dbraw/zinc/00/94/08/566009408.db2.gz MWVXCNGHKZZYRB-RHSMWYFYSA-N 2 2 378.314 3.171 20 0 GGADLP Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)o1 ZINC000363566287 566011754 /nfs/dbraw/zinc/01/17/54/566011754.db2.gz PLBLEZJDCMATAX-JTQLQIEISA-N 2 2 378.230 3.195 20 0 GGADLP Brc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4[nH]cc[nH+]4)C3)o2)o1 ZINC000363566287 566011758 /nfs/dbraw/zinc/01/17/58/566011758.db2.gz PLBLEZJDCMATAX-JTQLQIEISA-N 2 2 378.230 3.195 20 0 GGADLP Brc1ccc2c(c1)[C@H]([N@@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000246102206 566017691 /nfs/dbraw/zinc/01/76/91/566017691.db2.gz JHROUPYWRFUSOO-HNAYVOBHSA-N 2 2 379.342 3.481 20 0 GGADLP Brc1ccc2c(c1)[C@H]([N@H+]1CC[C@@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000246102206 566017692 /nfs/dbraw/zinc/01/76/92/566017692.db2.gz JHROUPYWRFUSOO-HNAYVOBHSA-N 2 2 379.342 3.481 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c(Br)c3)C2)CC1 ZINC000180069293 566030688 /nfs/dbraw/zinc/03/06/88/566030688.db2.gz SQEWEQBYJIPNEP-HNNXBMFYSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c(Br)c3)C2)CC1 ZINC000180069293 566030692 /nfs/dbraw/zinc/03/06/92/566030692.db2.gz SQEWEQBYJIPNEP-HNNXBMFYSA-N 2 2 386.765 3.314 20 0 GGADLP CCOC(=O)C[N@H+](CCn1cc[nH+]c1)[C@H](C)c1cccc(Br)c1 ZINC000180157512 566038991 /nfs/dbraw/zinc/03/89/91/566038991.db2.gz DREXCMCOVWGYSW-CQSZACIVSA-N 2 2 380.286 3.272 20 0 GGADLP CCOC(=O)C[N@@H+](CCn1cc[nH+]c1)[C@H](C)c1cccc(Br)c1 ZINC000180157512 566038994 /nfs/dbraw/zinc/03/89/94/566038994.db2.gz DREXCMCOVWGYSW-CQSZACIVSA-N 2 2 380.286 3.272 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc2c(cc1Br)OCCCO2 ZINC000180214768 566045583 /nfs/dbraw/zinc/04/55/83/566045583.db2.gz NDQPJQRUYCTFGE-UHFFFAOYSA-N 2 2 380.286 3.329 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc2c(cc1Br)OCCCO2 ZINC000180214768 566045588 /nfs/dbraw/zinc/04/55/88/566045588.db2.gz NDQPJQRUYCTFGE-UHFFFAOYSA-N 2 2 380.286 3.329 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1O ZINC000364431918 566051655 /nfs/dbraw/zinc/05/16/55/566051655.db2.gz TXLSWQSQSBEENE-ZDUSSCGKSA-N 2 2 394.313 3.352 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1O ZINC000364431918 566051658 /nfs/dbraw/zinc/05/16/58/566051658.db2.gz TXLSWQSQSBEENE-ZDUSSCGKSA-N 2 2 394.313 3.352 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247791331 566066609 /nfs/dbraw/zinc/06/66/09/566066609.db2.gz ZDBMMNUNAQEORL-XJKSGUPXSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247791331 566066613 /nfs/dbraw/zinc/06/66/13/566066613.db2.gz ZDBMMNUNAQEORL-XJKSGUPXSA-N 2 2 377.286 3.167 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247986947 566069156 /nfs/dbraw/zinc/06/91/56/566069156.db2.gz IWXSEIQOZRLZDC-MAUKXSAKSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247986947 566069161 /nfs/dbraw/zinc/06/91/61/566069161.db2.gz IWXSEIQOZRLZDC-MAUKXSAKSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247986947 566069165 /nfs/dbraw/zinc/06/91/65/566069165.db2.gz IWXSEIQOZRLZDC-MAUKXSAKSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247986947 566069172 /nfs/dbraw/zinc/06/91/72/566069172.db2.gz IWXSEIQOZRLZDC-MAUKXSAKSA-N 2 2 384.351 3.368 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165924 566073503 /nfs/dbraw/zinc/07/35/03/566073503.db2.gz SXMLGPCKBIIEJE-CZUORRHYSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165924 566073506 /nfs/dbraw/zinc/07/35/06/566073506.db2.gz SXMLGPCKBIIEJE-CZUORRHYSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165924 566073509 /nfs/dbraw/zinc/07/35/09/566073509.db2.gz SXMLGPCKBIIEJE-CZUORRHYSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@H]21 ZINC000248165924 566073514 /nfs/dbraw/zinc/07/35/14/566073514.db2.gz SXMLGPCKBIIEJE-CZUORRHYSA-N 2 2 381.314 3.136 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248556754 566080982 /nfs/dbraw/zinc/08/09/82/566080982.db2.gz LDTPELHIKRMHNA-CXAGYDPISA-N 2 2 396.304 3.310 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248556754 566080984 /nfs/dbraw/zinc/08/09/84/566080984.db2.gz LDTPELHIKRMHNA-CXAGYDPISA-N 2 2 396.304 3.310 20 0 GGADLP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248653198 566084951 /nfs/dbraw/zinc/08/49/51/566084951.db2.gz UOANHDQXLHGJQY-DAYGRLMNSA-N 2 2 394.357 3.325 20 0 GGADLP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248653198 566084954 /nfs/dbraw/zinc/08/49/54/566084954.db2.gz UOANHDQXLHGJQY-DAYGRLMNSA-N 2 2 394.357 3.325 20 0 GGADLP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248653202 566085442 /nfs/dbraw/zinc/08/54/42/566085442.db2.gz UOANHDQXLHGJQY-MPGHIAIKSA-N 2 2 394.357 3.325 20 0 GGADLP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2=O)ccc1Br ZINC000248653202 566085449 /nfs/dbraw/zinc/08/54/49/566085449.db2.gz UOANHDQXLHGJQY-MPGHIAIKSA-N 2 2 394.357 3.325 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCc1[nH+]c2ccccc2n1C ZINC000181020899 566107261 /nfs/dbraw/zinc/10/72/61/566107261.db2.gz BXYZVCNNTQCDFT-ZDUSSCGKSA-N 2 2 376.302 3.143 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000181092709 566113364 /nfs/dbraw/zinc/11/33/64/566113364.db2.gz MDNMXWPZMZKABR-UHFFFAOYSA-N 2 2 390.285 3.142 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000181092709 566113370 /nfs/dbraw/zinc/11/33/70/566113370.db2.gz MDNMXWPZMZKABR-UHFFFAOYSA-N 2 2 390.285 3.142 20 0 GGADLP C[C@@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000252802885 566117342 /nfs/dbraw/zinc/11/73/42/566117342.db2.gz VSILQMZQMXTIPH-CZUORRHYSA-N 2 2 392.297 3.500 20 0 GGADLP C[C@@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCO3)C[C@H]1n1cc[nH+]c1 ZINC000252802885 566117345 /nfs/dbraw/zinc/11/73/45/566117345.db2.gz VSILQMZQMXTIPH-CZUORRHYSA-N 2 2 392.297 3.500 20 0 GGADLP C[C@@H]1CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000252745444 566117392 /nfs/dbraw/zinc/11/73/92/566117392.db2.gz OPJIHVNTJLNPMB-IUODEOHRSA-N 2 2 378.270 3.457 20 0 GGADLP C[C@@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1n1cc[nH+]c1 ZINC000252745444 566117395 /nfs/dbraw/zinc/11/73/95/566117395.db2.gz OPJIHVNTJLNPMB-IUODEOHRSA-N 2 2 378.270 3.457 20 0 GGADLP Fc1cccc([C@@H]2C[NH2+]CCN2Cc2c[nH+]c3ccc(Br)cn23)c1 ZINC000261636976 566126129 /nfs/dbraw/zinc/12/61/29/566126129.db2.gz FXBXMJQCVTYEQV-KRWDZBQOSA-N 2 2 389.272 3.382 20 0 GGADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2csc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261829578 566135885 /nfs/dbraw/zinc/13/58/85/566135885.db2.gz IYLVDNMHEKQHIP-WCQYABFASA-N 2 2 376.353 3.135 20 0 GGADLP O=C(NC[C@@H]1CCC[N@H+](Cc2csc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261829578 566135891 /nfs/dbraw/zinc/13/58/91/566135891.db2.gz IYLVDNMHEKQHIP-WCQYABFASA-N 2 2 376.353 3.135 20 0 GGADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261827434 566136247 /nfs/dbraw/zinc/13/62/47/566136247.db2.gz IVTWCCMOKNFRGI-DOMZBBRYSA-N 2 2 388.314 3.213 20 0 GGADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261827434 566136252 /nfs/dbraw/zinc/13/62/52/566136252.db2.gz IVTWCCMOKNFRGI-DOMZBBRYSA-N 2 2 388.314 3.213 20 0 GGADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261827435 566136369 /nfs/dbraw/zinc/13/63/69/566136369.db2.gz IVTWCCMOKNFRGI-IUODEOHRSA-N 2 2 388.314 3.213 20 0 GGADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261827435 566136373 /nfs/dbraw/zinc/13/63/73/566136373.db2.gz IVTWCCMOKNFRGI-IUODEOHRSA-N 2 2 388.314 3.213 20 0 GGADLP O=C(NC[C@H]1CCC[N@@H+](Cc2csc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261829581 566136722 /nfs/dbraw/zinc/13/67/22/566136722.db2.gz IYLVDNMHEKQHIP-YPMHNXCESA-N 2 2 376.353 3.135 20 0 GGADLP O=C(NC[C@H]1CCC[N@H+](Cc2csc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261829581 566136725 /nfs/dbraw/zinc/13/67/25/566136725.db2.gz IYLVDNMHEKQHIP-YPMHNXCESA-N 2 2 376.353 3.135 20 0 GGADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000261904621 566140848 /nfs/dbraw/zinc/14/08/48/566140848.db2.gz WWYSLBHKAGQTOP-AWEZNQCLSA-N 2 2 394.235 3.077 20 0 GGADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000261904621 566140854 /nfs/dbraw/zinc/14/08/54/566140854.db2.gz WWYSLBHKAGQTOP-AWEZNQCLSA-N 2 2 394.235 3.077 20 0 GGADLP COCCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000366246168 566142888 /nfs/dbraw/zinc/14/28/88/566142888.db2.gz VYBDORREBVDFKH-OTWHNJEPSA-N 2 2 397.357 3.370 20 0 GGADLP COCCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000366246168 566142894 /nfs/dbraw/zinc/14/28/94/566142894.db2.gz VYBDORREBVDFKH-OTWHNJEPSA-N 2 2 397.357 3.370 20 0 GGADLP COCCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000366246170 566143143 /nfs/dbraw/zinc/14/31/43/566143143.db2.gz VYBDORREBVDFKH-QYZOEREBSA-N 2 2 397.357 3.370 20 0 GGADLP COCCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Br)cc1 ZINC000366246170 566143147 /nfs/dbraw/zinc/14/31/47/566143147.db2.gz VYBDORREBVDFKH-QYZOEREBSA-N 2 2 397.357 3.370 20 0 GGADLP C[NH2+]CCC1CC[NH+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000261994491 566143130 /nfs/dbraw/zinc/14/31/30/566143130.db2.gz NFVVEWRAUNDUMK-UHFFFAOYSA-N 2 2 379.353 3.089 20 0 GGADLP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000262015272 566143850 /nfs/dbraw/zinc/14/38/50/566143850.db2.gz VVBBQCRMHNYYOQ-CQSZACIVSA-N 2 2 382.346 3.406 20 0 GGADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000262074130 566145661 /nfs/dbraw/zinc/14/56/61/566145661.db2.gz SHKRBGPVIKAJEF-HNNXBMFYSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000262074130 566145665 /nfs/dbraw/zinc/14/56/65/566145665.db2.gz SHKRBGPVIKAJEF-HNNXBMFYSA-N 2 2 377.838 3.178 20 0 GGADLP C[NH2+]CCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000262343657 566150708 /nfs/dbraw/zinc/15/07/08/566150708.db2.gz IFLKDGYPJCUXEZ-KRWDZBQOSA-N 2 2 377.941 3.227 20 0 GGADLP C[NH2+]CCC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000262343657 566150714 /nfs/dbraw/zinc/15/07/14/566150714.db2.gz IFLKDGYPJCUXEZ-KRWDZBQOSA-N 2 2 377.941 3.227 20 0 GGADLP C[C@H](C[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000262382812 566152008 /nfs/dbraw/zinc/15/20/08/566152008.db2.gz NCCXWOCAOUPWFS-DYVFJYSZSA-N 2 2 377.941 3.212 20 0 GGADLP C[C@H](C[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000262382812 566152011 /nfs/dbraw/zinc/15/20/11/566152011.db2.gz NCCXWOCAOUPWFS-DYVFJYSZSA-N 2 2 377.941 3.212 20 0 GGADLP Fc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(I)c1 ZINC000417790869 566175347 /nfs/dbraw/zinc/17/53/47/566175347.db2.gz WQOMHBGHNUIGCZ-OAHLLOKOSA-N 2 2 398.219 3.479 20 0 GGADLP Fc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(I)c1 ZINC000417790869 566175355 /nfs/dbraw/zinc/17/53/55/566175355.db2.gz WQOMHBGHNUIGCZ-OAHLLOKOSA-N 2 2 398.219 3.479 20 0 GGADLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417875009 566178021 /nfs/dbraw/zinc/17/80/21/566178021.db2.gz LAGGFDMMSGZKRB-GFCCVEGCSA-N 2 2 376.257 3.252 20 0 GGADLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417875009 566178027 /nfs/dbraw/zinc/17/80/27/566178027.db2.gz LAGGFDMMSGZKRB-GFCCVEGCSA-N 2 2 376.257 3.252 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000182089261 566182232 /nfs/dbraw/zinc/18/22/32/566182232.db2.gz PSNYOETUMAXVLK-CQSZACIVSA-N 2 2 388.313 3.285 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000182089261 566182236 /nfs/dbraw/zinc/18/22/36/566182236.db2.gz PSNYOETUMAXVLK-CQSZACIVSA-N 2 2 388.313 3.285 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(F)cc2I)C1 ZINC000418074675 566196370 /nfs/dbraw/zinc/19/63/70/566196370.db2.gz YBABMBOPVXBPDB-GFCCVEGCSA-N 2 2 385.224 3.153 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2I)C1 ZINC000418074675 566196376 /nfs/dbraw/zinc/19/63/76/566196376.db2.gz YBABMBOPVXBPDB-GFCCVEGCSA-N 2 2 385.224 3.153 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccsc2Br)CC1 ZINC000290994810 566199587 /nfs/dbraw/zinc/19/95/87/566199587.db2.gz AMLOTLMDNZPCTJ-UHFFFAOYSA-N 2 2 375.332 3.018 20 0 GGADLP COC(=O)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(Br)c1 ZINC000367438422 566201493 /nfs/dbraw/zinc/20/14/93/566201493.db2.gz MXFSKDFJWISDFN-UHFFFAOYSA-N 2 2 378.270 3.058 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000291046365 566203040 /nfs/dbraw/zinc/20/30/40/566203040.db2.gz LYQQOJCRDQNXCA-LLVKDONJSA-N 2 2 379.448 3.230 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)Nc1cccc(Br)c1 ZINC000419294077 566231944 /nfs/dbraw/zinc/23/19/44/566231944.db2.gz OEUJYIHPXSHLMW-ZDUSSCGKSA-N 2 2 380.330 3.383 20 0 GGADLP FC(F)(F)c1csc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000182964073 566232631 /nfs/dbraw/zinc/23/26/31/566232631.db2.gz IWWCRIVDDOHCGY-UHFFFAOYSA-N 2 2 377.476 3.486 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000265536279 566238416 /nfs/dbraw/zinc/23/84/16/566238416.db2.gz VZUKFHQCAKGZQJ-LBPRGKRZSA-N 2 2 377.286 3.379 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000265789164 566242032 /nfs/dbraw/zinc/24/20/32/566242032.db2.gz NRLDGFOGBLNYOE-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000265789164 566242036 /nfs/dbraw/zinc/24/20/36/566242036.db2.gz NRLDGFOGBLNYOE-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP COc1c(Br)cccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000369009020 566249126 /nfs/dbraw/zinc/24/91/26/566249126.db2.gz JRKGRAXRTBRHNS-HYVNUMGLSA-N 2 2 383.330 3.141 20 0 GGADLP COc1c(Br)cccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000369009020 566249128 /nfs/dbraw/zinc/24/91/28/566249128.db2.gz JRKGRAXRTBRHNS-HYVNUMGLSA-N 2 2 383.330 3.141 20 0 GGADLP Cc1cc(Br)cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1C ZINC000668687584 566256688 /nfs/dbraw/zinc/25/66/88/566256688.db2.gz KSHFZKKVDHAKTR-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP Cc1cc(Br)cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1C ZINC000668687584 566256689 /nfs/dbraw/zinc/25/66/89/566256689.db2.gz KSHFZKKVDHAKTR-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+](CC/C=C\c2ccc(Br)cc2)CC1 ZINC000534846104 566258449 /nfs/dbraw/zinc/25/84/49/566258449.db2.gz NTNFALQQKIOOKB-RQOWECAXSA-N 2 2 375.314 3.408 20 0 GGADLP COc1cc(Br)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000668820299 566269336 /nfs/dbraw/zinc/26/93/36/566269336.db2.gz TXTWAABGTPZNTI-CQSZACIVSA-N 2 2 383.330 3.375 20 0 GGADLP COc1cc(Br)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000668820299 566269338 /nfs/dbraw/zinc/26/93/38/566269338.db2.gz TXTWAABGTPZNTI-CQSZACIVSA-N 2 2 383.330 3.375 20 0 GGADLP Cc1ccc(Br)c(C)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000556127830 566271481 /nfs/dbraw/zinc/27/14/81/566271481.db2.gz WJEYBYIYSHJCQI-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP Cc1ccc(Br)c(C)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000556127830 566271486 /nfs/dbraw/zinc/27/14/86/566271486.db2.gz WJEYBYIYSHJCQI-UHFFFAOYSA-N 2 2 396.373 3.164 20 0 GGADLP Cc1c([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000481972112 566272242 /nfs/dbraw/zinc/27/22/42/566272242.db2.gz JFOCXYDITSNALU-QWHCGFSZSA-N 2 2 380.334 3.329 20 0 GGADLP C[C@H](c1ccccc1Br)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420348952 566274490 /nfs/dbraw/zinc/27/44/90/566274490.db2.gz BGKXBWNTQPWTGC-CYBMUJFWSA-N 2 2 390.329 3.084 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420338327 566274734 /nfs/dbraw/zinc/27/47/34/566274734.db2.gz KQTFJTKGUVZNET-XJKSGUPXSA-N 2 2 380.330 3.240 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000482013406 566275639 /nfs/dbraw/zinc/27/56/39/566275639.db2.gz VFQCDRLCVUYDMH-IRXDYDNUSA-N 2 2 381.973 3.409 20 0 GGADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000482013406 566275648 /nfs/dbraw/zinc/27/56/48/566275648.db2.gz VFQCDRLCVUYDMH-IRXDYDNUSA-N 2 2 381.973 3.409 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000482025969 566277107 /nfs/dbraw/zinc/27/71/07/566277107.db2.gz LSWYXPDGORHSJF-QZTJIDSGSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000482025969 566277111 /nfs/dbraw/zinc/27/71/11/566277111.db2.gz LSWYXPDGORHSJF-QZTJIDSGSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482032784 566277948 /nfs/dbraw/zinc/27/79/48/566277948.db2.gz MPIBZEUDRRLMTK-ROUUACIJSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482032784 566277955 /nfs/dbraw/zinc/27/79/55/566277955.db2.gz MPIBZEUDRRLMTK-ROUUACIJSA-N 2 2 396.373 3.433 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000625185207 566287196 /nfs/dbraw/zinc/28/71/96/566287196.db2.gz ORHLKBBNAQSXOT-KDOFPFPSSA-N 2 2 392.341 3.120 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000625185207 566287200 /nfs/dbraw/zinc/28/72/00/566287200.db2.gz ORHLKBBNAQSXOT-KDOFPFPSSA-N 2 2 392.341 3.120 20 0 GGADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1cc(Cl)ccc1Cl ZINC000575796900 566287392 /nfs/dbraw/zinc/28/73/92/566287392.db2.gz SKBLPCHWMSSMNI-OAHLLOKOSA-N 2 2 384.307 3.098 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000625185214 566287481 /nfs/dbraw/zinc/28/74/81/566287481.db2.gz ORHLKBBNAQSXOT-KSSFIOAISA-N 2 2 392.341 3.120 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000625185214 566287483 /nfs/dbraw/zinc/28/74/83/566287483.db2.gz ORHLKBBNAQSXOT-KSSFIOAISA-N 2 2 392.341 3.120 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625199676 566288744 /nfs/dbraw/zinc/28/87/44/566288744.db2.gz IXRUVFVYBPHUED-KDOFPFPSSA-N 2 2 394.357 3.366 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625199676 566288752 /nfs/dbraw/zinc/28/87/52/566288752.db2.gz IXRUVFVYBPHUED-KDOFPFPSSA-N 2 2 394.357 3.366 20 0 GGADLP CCCOc1ccc(Br)cc1C[NH+]1CCN(c2[nH+]ccn2C)CC1 ZINC000462355825 566289290 /nfs/dbraw/zinc/28/92/90/566289290.db2.gz GBELDODJAABBJR-UHFFFAOYSA-N 2 2 393.329 3.294 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000625215734 566290390 /nfs/dbraw/zinc/29/03/90/566290390.db2.gz IGUKTHAQNCSBBR-KRWDZBQOSA-N 2 2 389.297 3.236 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Br)c1OC ZINC000535315585 566295562 /nfs/dbraw/zinc/29/55/62/566295562.db2.gz YIBSPBKDUIADGD-ZDUSSCGKSA-N 2 2 380.286 3.189 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)c(Br)c1OC ZINC000535315585 566295564 /nfs/dbraw/zinc/29/55/64/566295564.db2.gz YIBSPBKDUIADGD-ZDUSSCGKSA-N 2 2 380.286 3.189 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000535316581 566295804 /nfs/dbraw/zinc/29/58/04/566295804.db2.gz KWXVNYQUPYOITB-CYBMUJFWSA-N 2 2 388.269 3.222 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000535316581 566295809 /nfs/dbraw/zinc/29/58/09/566295809.db2.gz KWXVNYQUPYOITB-CYBMUJFWSA-N 2 2 388.269 3.222 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462412148 566297801 /nfs/dbraw/zinc/29/78/01/566297801.db2.gz ZIRKCWCLLYBRDQ-BZNIZROVSA-N 2 2 375.822 3.371 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462412148 566297806 /nfs/dbraw/zinc/29/78/06/566297806.db2.gz ZIRKCWCLLYBRDQ-BZNIZROVSA-N 2 2 375.822 3.371 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462412149 566299530 /nfs/dbraw/zinc/29/95/30/566299530.db2.gz ZIRKCWCLLYBRDQ-MEDUHNTESA-N 2 2 375.822 3.371 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462412149 566299537 /nfs/dbraw/zinc/29/95/37/566299537.db2.gz ZIRKCWCLLYBRDQ-MEDUHNTESA-N 2 2 375.822 3.371 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625255970 566300459 /nfs/dbraw/zinc/30/04/59/566300459.db2.gz WGUAADRNTIZWOP-CZUORRHYSA-N 2 2 389.297 3.305 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000625255970 566300461 /nfs/dbraw/zinc/30/04/61/566300461.db2.gz WGUAADRNTIZWOP-CZUORRHYSA-N 2 2 389.297 3.305 20 0 GGADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625370183 566314271 /nfs/dbraw/zinc/31/42/71/566314271.db2.gz AGNAUQSPCOWSPQ-NVXWUHKLSA-N 2 2 380.330 3.119 20 0 GGADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625370183 566314279 /nfs/dbraw/zinc/31/42/79/566314279.db2.gz AGNAUQSPCOWSPQ-NVXWUHKLSA-N 2 2 380.330 3.119 20 0 GGADLP C[NH+](C)[C@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625370185 566314461 /nfs/dbraw/zinc/31/44/61/566314461.db2.gz AGNAUQSPCOWSPQ-RDJZCZTQSA-N 2 2 380.330 3.119 20 0 GGADLP C[NH+](C)[C@H]1CCC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625370185 566314466 /nfs/dbraw/zinc/31/44/66/566314466.db2.gz AGNAUQSPCOWSPQ-RDJZCZTQSA-N 2 2 380.330 3.119 20 0 GGADLP C[NH+](C)[C@@H]1CCC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625370187 566314622 /nfs/dbraw/zinc/31/46/22/566314622.db2.gz AGNAUQSPCOWSPQ-WBVHZDCISA-N 2 2 380.330 3.119 20 0 GGADLP C[NH+](C)[C@@H]1CCC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 ZINC000625370187 566314628 /nfs/dbraw/zinc/31/46/28/566314628.db2.gz AGNAUQSPCOWSPQ-WBVHZDCISA-N 2 2 380.330 3.119 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c12 ZINC000669654905 566317359 /nfs/dbraw/zinc/31/73/59/566317359.db2.gz NXRMZUPLLQGIFO-CYBMUJFWSA-N 2 2 394.288 3.224 20 0 GGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000669651343 566317468 /nfs/dbraw/zinc/31/74/68/566317468.db2.gz BGXDCQNWBJFMAC-GOEBONIOSA-N 2 2 394.288 3.172 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482633910 566323461 /nfs/dbraw/zinc/32/34/61/566323461.db2.gz XYUCZLNBEXWGKL-HUUCEWRRSA-N 2 2 386.323 3.137 20 0 GGADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448440 566323596 /nfs/dbraw/zinc/32/35/96/566323596.db2.gz LHUCRPCERZIIKQ-HKUYNNGSSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448440 566323602 /nfs/dbraw/zinc/32/36/02/566323602.db2.gz LHUCRPCERZIIKQ-HKUYNNGSSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448440 566323611 /nfs/dbraw/zinc/32/36/11/566323611.db2.gz LHUCRPCERZIIKQ-HKUYNNGSSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448440 566323618 /nfs/dbraw/zinc/32/36/18/566323618.db2.gz LHUCRPCERZIIKQ-HKUYNNGSSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448445 566323729 /nfs/dbraw/zinc/32/37/29/566323729.db2.gz LHUCRPCERZIIKQ-PKOBYXMFSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448445 566323737 /nfs/dbraw/zinc/32/37/37/566323737.db2.gz LHUCRPCERZIIKQ-PKOBYXMFSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448445 566323743 /nfs/dbraw/zinc/32/37/43/566323743.db2.gz LHUCRPCERZIIKQ-PKOBYXMFSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448445 566323752 /nfs/dbraw/zinc/32/37/52/566323752.db2.gz LHUCRPCERZIIKQ-PKOBYXMFSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452062 566326019 /nfs/dbraw/zinc/32/60/19/566326019.db2.gz OOWUTYMTCGMRRU-HKUYNNGSSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452062 566326023 /nfs/dbraw/zinc/32/60/23/566326023.db2.gz OOWUTYMTCGMRRU-HKUYNNGSSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452062 566326027 /nfs/dbraw/zinc/32/60/27/566326027.db2.gz OOWUTYMTCGMRRU-HKUYNNGSSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452062 566326031 /nfs/dbraw/zinc/32/60/31/566326031.db2.gz OOWUTYMTCGMRRU-HKUYNNGSSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452075 566326226 /nfs/dbraw/zinc/32/62/26/566326226.db2.gz OOWUTYMTCGMRRU-PKOBYXMFSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452075 566326231 /nfs/dbraw/zinc/32/62/31/566326231.db2.gz OOWUTYMTCGMRRU-PKOBYXMFSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452075 566326239 /nfs/dbraw/zinc/32/62/39/566326239.db2.gz OOWUTYMTCGMRRU-PKOBYXMFSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000625452075 566326244 /nfs/dbraw/zinc/32/62/44/566326244.db2.gz OOWUTYMTCGMRRU-PKOBYXMFSA-N 2 2 392.341 3.120 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000482740597 566329935 /nfs/dbraw/zinc/32/99/35/566329935.db2.gz CSXWBNVDBLWSAH-YJBOKZPZSA-N 2 2 397.357 3.345 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000482740595 566329977 /nfs/dbraw/zinc/32/99/77/566329977.db2.gz CSXWBNVDBLWSAH-QAPCUYQASA-N 2 2 397.357 3.345 20 0 GGADLP Cn1cc(Br)cc1C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420927605 566330367 /nfs/dbraw/zinc/33/03/67/566330367.db2.gz AKKPROOLJONMED-UHFFFAOYSA-N 2 2 392.341 3.252 20 0 GGADLP Cn1cc(Br)cc1C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420927605 566330371 /nfs/dbraw/zinc/33/03/71/566330371.db2.gz AKKPROOLJONMED-UHFFFAOYSA-N 2 2 392.341 3.252 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000576280005 566331485 /nfs/dbraw/zinc/33/14/85/566331485.db2.gz NUYRVMDAPXFLAH-UKRRQHHQSA-N 2 2 380.330 3.098 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000576280004 566332459 /nfs/dbraw/zinc/33/24/59/566332459.db2.gz NUYRVMDAPXFLAH-HIFRSBDPSA-N 2 2 380.330 3.098 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Br)cc2c1OCC2 ZINC000462790208 566353353 /nfs/dbraw/zinc/35/33/53/566353353.db2.gz HBVHRZOQPQLLPB-KURKYZTESA-N 2 2 395.341 3.068 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Br)cc2c1OCC2 ZINC000462790208 566353357 /nfs/dbraw/zinc/35/33/57/566353357.db2.gz HBVHRZOQPQLLPB-KURKYZTESA-N 2 2 395.341 3.068 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc(Br)cc2c1OCC2 ZINC000462790210 566353454 /nfs/dbraw/zinc/35/34/54/566353454.db2.gz HBVHRZOQPQLLPB-SQNIBIBYSA-N 2 2 395.341 3.068 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc(Br)cc2c1OCC2 ZINC000462790210 566353460 /nfs/dbraw/zinc/35/34/60/566353460.db2.gz HBVHRZOQPQLLPB-SQNIBIBYSA-N 2 2 395.341 3.068 20 0 GGADLP Cn1cc(C[NH+]2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)cn1 ZINC000462825897 566355192 /nfs/dbraw/zinc/35/51/92/566355192.db2.gz ACDFHSZXFXLOMC-UHFFFAOYSA-N 2 2 386.297 3.053 20 0 GGADLP COC1([C@@H](C)[NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)CCOCC1 ZINC000421402781 566370022 /nfs/dbraw/zinc/37/00/22/566370022.db2.gz MWXCDJXDELXXEZ-CYBMUJFWSA-N 2 2 382.302 3.079 20 0 GGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000462956080 566370248 /nfs/dbraw/zinc/37/02/48/566370248.db2.gz YEJSDRASDRDIJV-DZKIICNBSA-N 2 2 397.357 3.486 20 0 GGADLP C[C@H]([NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000462956080 566370251 /nfs/dbraw/zinc/37/02/51/566370251.db2.gz YEJSDRASDRDIJV-DZKIICNBSA-N 2 2 397.357 3.486 20 0 GGADLP C[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000576716759 566373298 /nfs/dbraw/zinc/37/32/98/566373298.db2.gz WKVZDFOFTJKMIC-SUMWQHHRSA-N 2 2 377.941 3.225 20 0 GGADLP C[NH2+][C@@H](C)C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000576716759 566373304 /nfs/dbraw/zinc/37/33/04/566373304.db2.gz WKVZDFOFTJKMIC-SUMWQHHRSA-N 2 2 377.941 3.225 20 0 GGADLP C[N@@H+]1CCC[C@@H]1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000649618382 566378416 /nfs/dbraw/zinc/37/84/16/566378416.db2.gz WOFHTFPYHIWDNE-MRXNPFEDSA-N 2 2 385.321 3.364 20 0 GGADLP C[N@H+]1CCC[C@@H]1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000649618382 566378421 /nfs/dbraw/zinc/37/84/21/566378421.db2.gz WOFHTFPYHIWDNE-MRXNPFEDSA-N 2 2 385.321 3.364 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCN(c4cccc(Br)c4)C3=O)n2c1 ZINC000447074784 566384979 /nfs/dbraw/zinc/38/49/79/566384979.db2.gz CTJFLVBSPYFKEW-KRWDZBQOSA-N 2 2 399.292 3.300 20 0 GGADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000557426144 566385544 /nfs/dbraw/zinc/38/55/44/566385544.db2.gz FUQLKZXWECAVSM-STQMWFEESA-N 2 2 394.288 3.436 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000447104160 566385843 /nfs/dbraw/zinc/38/58/43/566385843.db2.gz ZXQCVJVZSXAWEB-UHFFFAOYSA-N 2 2 386.297 3.386 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000483739245 566399067 /nfs/dbraw/zinc/39/90/67/566399067.db2.gz DFPSCPANQLJZIH-HEHGZKQESA-N 2 2 392.345 3.472 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000483739245 566399087 /nfs/dbraw/zinc/39/90/87/566399087.db2.gz DFPSCPANQLJZIH-HEHGZKQESA-N 2 2 392.345 3.472 20 0 GGADLP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ncc(Br)s1 ZINC000577098208 566404333 /nfs/dbraw/zinc/40/43/33/566404333.db2.gz WLWISZSKESQMAR-LLVKDONJSA-N 2 2 385.331 3.092 20 0 GGADLP CN(C(=O)CSc1ccccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601477939 566408401 /nfs/dbraw/zinc/40/84/01/566408401.db2.gz NEERAQKKIKKYQX-INIZCTEOSA-N 2 2 381.973 3.059 20 0 GGADLP CN(C(=O)CSc1ccccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601477939 566408408 /nfs/dbraw/zinc/40/84/08/566408408.db2.gz NEERAQKKIKKYQX-INIZCTEOSA-N 2 2 381.973 3.059 20 0 GGADLP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)sc1Br ZINC000577226288 566416081 /nfs/dbraw/zinc/41/60/81/566416081.db2.gz GKDRPEFMPAHZMC-HOCLYGCPSA-N 2 2 386.403 3.277 20 0 GGADLP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)sc1Br ZINC000577226288 566416078 /nfs/dbraw/zinc/41/60/78/566416078.db2.gz GKDRPEFMPAHZMC-HOCLYGCPSA-N 2 2 386.403 3.277 20 0 GGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566701 566416510 /nfs/dbraw/zinc/41/65/10/566416510.db2.gz VTQIEHZMPYPOLR-HZMBPMFUSA-N 2 2 378.685 3.374 20 0 GGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566701 566416513 /nfs/dbraw/zinc/41/65/13/566416513.db2.gz VTQIEHZMPYPOLR-HZMBPMFUSA-N 2 2 378.685 3.374 20 0 GGADLP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)sc1Br ZINC000577226286 566416635 /nfs/dbraw/zinc/41/66/35/566416635.db2.gz GKDRPEFMPAHZMC-GDBMZVCRSA-N 2 2 386.403 3.277 20 0 GGADLP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)sc1Br ZINC000577226286 566416641 /nfs/dbraw/zinc/41/66/41/566416641.db2.gz GKDRPEFMPAHZMC-GDBMZVCRSA-N 2 2 386.403 3.277 20 0 GGADLP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)sc1Br ZINC000577226287 566416715 /nfs/dbraw/zinc/41/67/15/566416715.db2.gz GKDRPEFMPAHZMC-GOEBONIOSA-N 2 2 386.403 3.277 20 0 GGADLP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)sc1Br ZINC000577226287 566416717 /nfs/dbraw/zinc/41/67/17/566416717.db2.gz GKDRPEFMPAHZMC-GOEBONIOSA-N 2 2 386.403 3.277 20 0 GGADLP Fc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)nc1 ZINC000510872956 566417050 /nfs/dbraw/zinc/41/70/50/566417050.db2.gz BPHWEFCWBAITHO-UHFFFAOYSA-N 2 2 379.233 3.475 20 0 GGADLP Fc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)nc1 ZINC000510872956 566417058 /nfs/dbraw/zinc/41/70/58/566417058.db2.gz BPHWEFCWBAITHO-UHFFFAOYSA-N 2 2 379.233 3.475 20 0 GGADLP Cc1nn(C)c(C)c1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889695 566419041 /nfs/dbraw/zinc/41/90/41/566419041.db2.gz JMNRBYUMDYYYQY-UHFFFAOYSA-N 2 2 392.301 3.291 20 0 GGADLP Cc1nn(C)c(C)c1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889695 566419047 /nfs/dbraw/zinc/41/90/47/566419047.db2.gz JMNRBYUMDYYYQY-UHFFFAOYSA-N 2 2 392.301 3.291 20 0 GGADLP C[N@@H+]1CCC[C@@H]1CCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938659 566420682 /nfs/dbraw/zinc/42/06/82/566420682.db2.gz SPJFMMUOJMYIHI-OAHLLOKOSA-N 2 2 381.318 3.225 20 0 GGADLP C[N@H+]1CCC[C@@H]1CCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938659 566420685 /nfs/dbraw/zinc/42/06/85/566420685.db2.gz SPJFMMUOJMYIHI-OAHLLOKOSA-N 2 2 381.318 3.225 20 0 GGADLP C[N@@H+]1CCC[C@@H]1CC[NH+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938659 566420692 /nfs/dbraw/zinc/42/06/92/566420692.db2.gz SPJFMMUOJMYIHI-OAHLLOKOSA-N 3 2 381.318 3.225 20 0 GGADLP C[N@H+]1CCC[C@@H]1CC[NH+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938659 566420697 /nfs/dbraw/zinc/42/06/97/566420697.db2.gz SPJFMMUOJMYIHI-OAHLLOKOSA-N 3 2 381.318 3.225 20 0 GGADLP C[NH+]1CCC[C@@H]1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938659 566420701 /nfs/dbraw/zinc/42/07/01/566420701.db2.gz SPJFMMUOJMYIHI-OAHLLOKOSA-N 3 2 381.318 3.225 20 0 GGADLP C[NH+]1CCC[C@@H]1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938659 566420707 /nfs/dbraw/zinc/42/07/07/566420707.db2.gz SPJFMMUOJMYIHI-OAHLLOKOSA-N 3 2 381.318 3.225 20 0 GGADLP Brc1ccc(C[N@H+](CCCn2cc[nH+]c2)CCn2cc[nH+]c2)o1 ZINC000510934179 566421020 /nfs/dbraw/zinc/42/10/20/566421020.db2.gz JZOWTUQFZZPOQL-UHFFFAOYSA-N 3 2 378.274 3.028 20 0 GGADLP Brc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CCn2cc[nH+]c2)o1 ZINC000510934179 566421024 /nfs/dbraw/zinc/42/10/24/566421024.db2.gz JZOWTUQFZZPOQL-UHFFFAOYSA-N 3 2 378.274 3.028 20 0 GGADLP Brc1ccc(C[N@H+](CCCn2cc[nH+]c2)CCn2ccnc2)o1 ZINC000510934179 566421032 /nfs/dbraw/zinc/42/10/32/566421032.db2.gz JZOWTUQFZZPOQL-UHFFFAOYSA-N 2 2 378.274 3.028 20 0 GGADLP Brc1ccc(C[N@@H+](CCCn2cc[nH+]c2)CCn2ccnc2)o1 ZINC000510934179 566421039 /nfs/dbraw/zinc/42/10/39/566421039.db2.gz JZOWTUQFZZPOQL-UHFFFAOYSA-N 2 2 378.274 3.028 20 0 GGADLP Cc1cnc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510918325 566421576 /nfs/dbraw/zinc/42/15/76/566421576.db2.gz DGLPESTWXHFFIX-UHFFFAOYSA-N 2 2 376.258 3.039 20 0 GGADLP Cc1cnc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510918325 566421580 /nfs/dbraw/zinc/42/15/80/566421580.db2.gz DGLPESTWXHFFIX-UHFFFAOYSA-N 2 2 376.258 3.039 20 0 GGADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000602193201 566454091 /nfs/dbraw/zinc/45/40/91/566454091.db2.gz BJCVJGMWYUYPCK-UONOGXRCSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000602193201 566454096 /nfs/dbraw/zinc/45/40/96/566454096.db2.gz BJCVJGMWYUYPCK-UONOGXRCSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000602193199 566454248 /nfs/dbraw/zinc/45/42/48/566454248.db2.gz BJCVJGMWYUYPCK-KGLIPLIRSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1c(Cl)cccc1Cl ZINC000602193199 566454251 /nfs/dbraw/zinc/45/42/51/566454251.db2.gz BJCVJGMWYUYPCK-KGLIPLIRSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000422626053 566459118 /nfs/dbraw/zinc/45/91/18/566459118.db2.gz DEYMPVANTCRNTA-IJLUTSLNSA-N 2 2 375.847 3.185 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000422626053 566459124 /nfs/dbraw/zinc/45/91/24/566459124.db2.gz DEYMPVANTCRNTA-IJLUTSLNSA-N 2 2 375.847 3.185 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000422634567 566459341 /nfs/dbraw/zinc/45/93/41/566459341.db2.gz JVOWROOKQXDEIY-UMVBOHGHSA-N 2 2 393.329 3.228 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1C[NH3+] ZINC000422634567 566459352 /nfs/dbraw/zinc/45/93/52/566459352.db2.gz JVOWROOKQXDEIY-UMVBOHGHSA-N 2 2 393.329 3.228 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000422626054 566460031 /nfs/dbraw/zinc/46/00/31/566460031.db2.gz DEYMPVANTCRNTA-UTUOFQBUSA-N 2 2 375.847 3.185 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000422626054 566460036 /nfs/dbraw/zinc/46/00/36/566460036.db2.gz DEYMPVANTCRNTA-UTUOFQBUSA-N 2 2 375.847 3.185 20 0 GGADLP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)c2ccccc21 ZINC000422933721 566467116 /nfs/dbraw/zinc/46/71/16/566467116.db2.gz IIOIMQSDEBLQIN-HZPDHXFCSA-N 2 2 375.266 3.455 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000422931425 566467513 /nfs/dbraw/zinc/46/75/13/566467513.db2.gz BQPHPKLOWRBDDA-JKSUJKDBSA-N 2 2 387.615 3.179 20 0 GGADLP Cc1cc(Br)cn2cc(C[NH2+][C@@H](Cc3ccccc3)[C@H](C)[NH3+])nc12 ZINC000423031854 566468828 /nfs/dbraw/zinc/46/88/28/566468828.db2.gz DUXLNUDFDYRZDM-KSSFIOAISA-N 2 2 387.325 3.453 20 0 GGADLP O=C(CC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1)Nc1cccc(Br)c1 ZINC000577841221 566468901 /nfs/dbraw/zinc/46/89/01/566468901.db2.gz BAFJNUSZOZXXQC-MRXNPFEDSA-N 2 2 380.330 3.384 20 0 GGADLP O=C(CC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1)Nc1cccc(Br)c1 ZINC000577841221 566468908 /nfs/dbraw/zinc/46/89/08/566468908.db2.gz BAFJNUSZOZXXQC-MRXNPFEDSA-N 2 2 380.330 3.384 20 0 GGADLP CC(C)c1nnc(C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)s1 ZINC000537777053 566469113 /nfs/dbraw/zinc/46/91/13/566469113.db2.gz AVCKBPMEVPSVNJ-UHFFFAOYSA-N 2 2 379.961 3.357 20 0 GGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1Br ZINC000423049918 566471067 /nfs/dbraw/zinc/47/10/67/566471067.db2.gz KIBCQULTIAYMHR-GWCFXTLKSA-N 2 2 392.135 3.068 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)[nH+]c12 ZINC000423040267 566471392 /nfs/dbraw/zinc/47/13/92/566471392.db2.gz SWPOLSVGSGEATM-KSZLIROESA-N 3 2 391.357 3.458 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1=O ZINC000423100588 566475124 /nfs/dbraw/zinc/47/51/24/566475124.db2.gz BWJWVYMUUMLNEU-XIRDDKMYSA-N 2 2 394.357 3.291 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1=O ZINC000423100565 566475516 /nfs/dbraw/zinc/47/55/16/566475516.db2.gz BWJWVYMUUMLNEU-BHYGNILZSA-N 2 2 394.357 3.291 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1=O ZINC000423100584 566475693 /nfs/dbraw/zinc/47/56/93/566475693.db2.gz BWJWVYMUUMLNEU-UAGQMJEPSA-N 2 2 394.357 3.291 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)OCCO2 ZINC000448525607 566476081 /nfs/dbraw/zinc/47/60/81/566476081.db2.gz SJPRRNMJTZHQDM-OAHLLOKOSA-N 2 2 391.265 3.269 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CC[C@@H](Oc3cc[nH+]cc3)C1)OCCO2 ZINC000448525607 566476087 /nfs/dbraw/zinc/47/60/87/566476087.db2.gz SJPRRNMJTZHQDM-OAHLLOKOSA-N 2 2 391.265 3.269 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)[C@H]1CCCC[NH2+]1 ZINC000423122279 566476766 /nfs/dbraw/zinc/47/67/66/566476766.db2.gz CAJOLXAKGUUPAS-JJRVBVJISA-N 2 2 385.346 3.392 20 0 GGADLP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1Br ZINC000511637757 566478205 /nfs/dbraw/zinc/47/82/05/566478205.db2.gz CABYDMNQMCOEAG-UHFFFAOYSA-N 2 2 396.373 3.260 20 0 GGADLP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1Br ZINC000511637757 566478211 /nfs/dbraw/zinc/47/82/11/566478211.db2.gz CABYDMNQMCOEAG-UHFFFAOYSA-N 2 2 396.373 3.260 20 0 GGADLP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423151498 566478568 /nfs/dbraw/zinc/47/85/68/566478568.db2.gz CKRQYOSCRBHPTD-ZANVPECISA-N 2 2 377.124 3.084 20 0 GGADLP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423151851 566478678 /nfs/dbraw/zinc/47/86/78/566478678.db2.gz CZZQIBQFMSQSAG-RNCFNFMXSA-N 2 2 377.124 3.214 20 0 GGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)cc2Cl)CC1 ZINC000423140960 566478853 /nfs/dbraw/zinc/47/88/53/566478853.db2.gz ZXABNESXVVUVKQ-JSGCOSHPSA-N 2 2 387.749 3.491 20 0 GGADLP Cc1cc(N2CCC[C@@H]([N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)ccc1Br ZINC000464491774 566480012 /nfs/dbraw/zinc/48/00/12/566480012.db2.gz ZXNSDSCYZPYHEW-MAUKXSAKSA-N 2 2 394.357 3.136 20 0 GGADLP Cc1cc(N2CCC[C@@H]([N@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)ccc1Br ZINC000464491774 566480019 /nfs/dbraw/zinc/48/00/19/566480019.db2.gz ZXNSDSCYZPYHEW-MAUKXSAKSA-N 2 2 394.357 3.136 20 0 GGADLP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423258274 566483975 /nfs/dbraw/zinc/48/39/75/566483975.db2.gz BEWADXHLVILJBO-SJORKVTESA-N 2 2 387.977 3.196 20 0 GGADLP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423258072 566484109 /nfs/dbraw/zinc/48/41/09/566484109.db2.gz AXIAZMNDKHFFNJ-MEBBXXQBSA-N 2 2 394.368 3.199 20 0 GGADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000578017322 566484502 /nfs/dbraw/zinc/48/45/02/566484502.db2.gz YIWUZYXVBSEDJI-SJORKVTESA-N 2 2 383.323 3.359 20 0 GGADLP C[NH2+]C[C@H](C)C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423273960 566484978 /nfs/dbraw/zinc/48/49/78/566484978.db2.gz LMWDXJBKKUFLBE-IFXJQAMLSA-N 2 2 380.941 3.278 20 0 GGADLP CS(=O)(=O)c1cccc([C@H]([NH2+]C[C@@H]([NH3+])C2CC2)c2ccc(Cl)cc2)c1 ZINC000423328759 566486131 /nfs/dbraw/zinc/48/61/31/566486131.db2.gz SGYLWDIAGMKGGQ-RTBURBONSA-N 2 2 378.925 3.160 20 0 GGADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]C[C@H]([NH3+])C2CC2)c2ccc(Cl)cc2)c1 ZINC000423328757 566486734 /nfs/dbraw/zinc/48/67/34/566486734.db2.gz SGYLWDIAGMKGGQ-OALUTQOASA-N 2 2 378.925 3.160 20 0 GGADLP Cc1c([C@H](C)[NH2+]CCC[NH2+]C(C)C)nnn1-c1cccc(Br)c1 ZINC000578062641 566487660 /nfs/dbraw/zinc/48/76/60/566487660.db2.gz GYUWVJVSBLVICK-ZDUSSCGKSA-N 2 2 380.334 3.377 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3cccc(Br)c3)C2)s1 ZINC000511790644 566487890 /nfs/dbraw/zinc/48/78/90/566487890.db2.gz IAYVUPPTJDTLGI-AWEZNQCLSA-N 2 2 395.370 3.336 20 0 GGADLP COCCC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423437943 566489091 /nfs/dbraw/zinc/48/90/91/566489091.db2.gz UQWHJXFEJCCBLA-MSOLQXFVSA-N 2 2 385.346 3.275 20 0 GGADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000423514168 566490804 /nfs/dbraw/zinc/49/08/04/566490804.db2.gz MDFPPPVZVUVSON-DOMZBBRYSA-N 2 2 394.279 3.412 20 0 GGADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000423514170 566490960 /nfs/dbraw/zinc/49/09/60/566490960.db2.gz MDFPPPVZVUVSON-SWLSCSKDSA-N 2 2 394.279 3.412 20 0 GGADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000423514169 566491022 /nfs/dbraw/zinc/49/10/22/566491022.db2.gz MDFPPPVZVUVSON-IUODEOHRSA-N 2 2 394.279 3.412 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCN2C)cnn1-c1ccc(Cl)cc1Cl ZINC000423525151 566491962 /nfs/dbraw/zinc/49/19/62/566491962.db2.gz UCOPPPFWESFUTN-DOMZBBRYSA-N 2 2 382.339 3.042 20 0 GGADLP Cc1c([C@@H](C)[NH2+]CCC[NH2+]C2CC2)nnn1-c1cccc(Br)c1 ZINC000423525176 566492469 /nfs/dbraw/zinc/49/24/69/566492469.db2.gz JZVSKEHYHKMTFE-GFCCVEGCSA-N 2 2 378.318 3.131 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000423527864 566493366 /nfs/dbraw/zinc/49/33/66/566493366.db2.gz WEJQUCNLJDXFEP-PWSUYJOCSA-N 2 2 380.252 3.022 20 0 GGADLP COC1CC[NH+](CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000651244737 566503985 /nfs/dbraw/zinc/50/39/85/566503985.db2.gz XZAJBUXHMLINGW-LJQANCHMSA-N 2 2 381.358 3.471 20 0 GGADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](Cc2ccccc2Cl)c2ccsc2)CC1 ZINC000651208572 566504200 /nfs/dbraw/zinc/50/42/00/566504200.db2.gz BDMJRLYJWWIFQL-SFHVURJKSA-N 2 2 377.941 3.049 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000464781892 566504624 /nfs/dbraw/zinc/50/46/24/566504624.db2.gz WPGQKVAIFDXIDS-HNNXBMFYSA-N 2 2 386.367 3.316 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000464781892 566504631 /nfs/dbraw/zinc/50/46/31/566504631.db2.gz WPGQKVAIFDXIDS-HNNXBMFYSA-N 2 2 386.367 3.316 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)s1 ZINC000512070100 566510439 /nfs/dbraw/zinc/51/04/39/566510439.db2.gz CAEKJAIVWUBWCY-ZDUSSCGKSA-N 2 2 395.370 3.336 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)s1 ZINC000512070099 566510502 /nfs/dbraw/zinc/51/05/02/566510502.db2.gz CAEKJAIVWUBWCY-CYBMUJFWSA-N 2 2 395.370 3.336 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000558975880 566517661 /nfs/dbraw/zinc/51/76/61/566517661.db2.gz FMZXVUZYMVNULN-ZWKOTPCHSA-N 2 2 394.357 3.146 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2cc(Br)ccc21 ZINC000558975880 566517665 /nfs/dbraw/zinc/51/76/65/566517665.db2.gz FMZXVUZYMVNULN-ZWKOTPCHSA-N 2 2 394.357 3.146 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cccc(F)c2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000449035856 566524071 /nfs/dbraw/zinc/52/40/71/566524071.db2.gz IFWQYRDZBIXMEP-RHSMWYFYSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cccc(F)c2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000449035856 566524075 /nfs/dbraw/zinc/52/40/75/566524075.db2.gz IFWQYRDZBIXMEP-RHSMWYFYSA-N 2 2 384.337 3.046 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000485798411 566527485 /nfs/dbraw/zinc/52/74/85/566527485.db2.gz NWROOJDKXUGGMS-CJNGLKHVSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000485798411 566527491 /nfs/dbraw/zinc/52/74/91/566527491.db2.gz NWROOJDKXUGGMS-CJNGLKHVSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485798411 566527496 /nfs/dbraw/zinc/52/74/96/566527496.db2.gz NWROOJDKXUGGMS-CJNGLKHVSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000485798411 566527503 /nfs/dbraw/zinc/52/75/03/566527503.db2.gz NWROOJDKXUGGMS-CJNGLKHVSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000485798412 566527723 /nfs/dbraw/zinc/52/77/23/566527723.db2.gz NWROOJDKXUGGMS-CZUORRHYSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000485798412 566527727 /nfs/dbraw/zinc/52/77/27/566527727.db2.gz NWROOJDKXUGGMS-CZUORRHYSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000485798412 566527731 /nfs/dbraw/zinc/52/77/31/566527731.db2.gz NWROOJDKXUGGMS-CZUORRHYSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000485798412 566527736 /nfs/dbraw/zinc/52/77/36/566527736.db2.gz NWROOJDKXUGGMS-CZUORRHYSA-N 2 2 377.330 3.252 20 0 GGADLP CS(=O)(=O)c1cccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000449104185 566529319 /nfs/dbraw/zinc/52/93/19/566529319.db2.gz DWDDILHJOGBCMG-QGZVFWFLSA-N 2 2 378.563 3.153 20 0 GGADLP CS(=O)(=O)c1cccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000449104185 566529328 /nfs/dbraw/zinc/52/93/28/566529328.db2.gz DWDDILHJOGBCMG-QGZVFWFLSA-N 2 2 378.563 3.153 20 0 GGADLP Cn1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccc(Br)cc21 ZINC000485811899 566529770 /nfs/dbraw/zinc/52/97/70/566529770.db2.gz IVXAGYSXZTUKKD-OAHLLOKOSA-N 2 2 387.281 3.384 20 0 GGADLP Cn1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)nc2ccc(Br)cc21 ZINC000485811899 566529776 /nfs/dbraw/zinc/52/97/76/566529776.db2.gz IVXAGYSXZTUKKD-OAHLLOKOSA-N 2 2 387.281 3.384 20 0 GGADLP C[C@@H](C[NH2+]C1CC(c2ccc(Br)cc2F)C1)C[NH+]1CCOCC1 ZINC000449165042 566533840 /nfs/dbraw/zinc/53/38/40/566533840.db2.gz SPVXRHGZPLWPML-HLIUYOAVSA-N 2 2 385.321 3.392 20 0 GGADLP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(Br)c2F)CC1 ZINC000449193215 566535349 /nfs/dbraw/zinc/53/53/49/566535349.db2.gz VVRWHPDIPHSGBV-DLBZAZTESA-N 2 2 385.321 3.446 20 0 GGADLP COc1c(Br)cc(C[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1Br ZINC000578605945 566536985 /nfs/dbraw/zinc/53/69/85/566536985.db2.gz XKWMRFRKQVVCDO-NOZJJQNGSA-N 2 2 392.135 3.450 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@H]21 ZINC000538798663 566537088 /nfs/dbraw/zinc/53/70/88/566537088.db2.gz SJSLXAWBYUTPQF-CXAGYDPISA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@H]21 ZINC000538798663 566537096 /nfs/dbraw/zinc/53/70/96/566537096.db2.gz SJSLXAWBYUTPQF-CXAGYDPISA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@H]21 ZINC000538798663 566537105 /nfs/dbraw/zinc/53/71/05/566537105.db2.gz SJSLXAWBYUTPQF-CXAGYDPISA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccc(Cl)cc4Cl)nn3)CC[C@H]21 ZINC000538798663 566537112 /nfs/dbraw/zinc/53/71/12/566537112.db2.gz SJSLXAWBYUTPQF-CXAGYDPISA-N 2 2 380.323 3.490 20 0 GGADLP Cc1cc(Br)c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000651590099 566538630 /nfs/dbraw/zinc/53/86/30/566538630.db2.gz CFGNYQJSHKQWKI-HNNXBMFYSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(Br)c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000651590099 566538640 /nfs/dbraw/zinc/53/86/40/566538640.db2.gz CFGNYQJSHKQWKI-HNNXBMFYSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(Br)c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000651590099 566538644 /nfs/dbraw/zinc/53/86/44/566538644.db2.gz CFGNYQJSHKQWKI-HNNXBMFYSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(Br)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000651590099 566538654 /nfs/dbraw/zinc/53/86/54/566538654.db2.gz CFGNYQJSHKQWKI-HNNXBMFYSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(CN2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ncc1Br ZINC000628187894 566538827 /nfs/dbraw/zinc/53/88/27/566538827.db2.gz FCUXWDLDSIZCBM-UHFFFAOYSA-N 2 2 395.389 3.143 20 0 GGADLP Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000559343035 566544520 /nfs/dbraw/zinc/54/45/20/566544520.db2.gz NMBICARGFYOKCL-HXUWFJFHSA-N 2 2 389.337 3.266 20 0 GGADLP Cc1cc(Br)ccc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000559343035 566544527 /nfs/dbraw/zinc/54/45/27/566544527.db2.gz NMBICARGFYOKCL-HXUWFJFHSA-N 2 2 389.337 3.266 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000512685608 566550956 /nfs/dbraw/zinc/55/09/56/566550956.db2.gz CVEYCGBVBFBNON-CALCHBBNSA-N 2 2 380.374 3.440 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000512685608 566550959 /nfs/dbraw/zinc/55/09/59/566550959.db2.gz CVEYCGBVBFBNON-CALCHBBNSA-N 2 2 380.374 3.440 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000673712070 566552712 /nfs/dbraw/zinc/55/27/12/566552712.db2.gz NLVQIXUCWDSHPH-LBPRGKRZSA-N 2 2 378.270 3.323 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CCC[C@H](c3[nH]cc[nH+]3)C1)OCCO2 ZINC000673712070 566552715 /nfs/dbraw/zinc/55/27/15/566552715.db2.gz NLVQIXUCWDSHPH-LBPRGKRZSA-N 2 2 378.270 3.323 20 0 GGADLP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673740958 566554236 /nfs/dbraw/zinc/55/42/36/566554236.db2.gz OHUASMOXSBXOOD-DZGCQCFKSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673740958 566554242 /nfs/dbraw/zinc/55/42/42/566554242.db2.gz OHUASMOXSBXOOD-DZGCQCFKSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449377073 566554728 /nfs/dbraw/zinc/55/47/28/566554728.db2.gz NOGBOPACXWYRRU-YJBOKZPZSA-N 2 2 390.325 3.036 20 0 GGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449377073 566554733 /nfs/dbraw/zinc/55/47/33/566554733.db2.gz NOGBOPACXWYRRU-YJBOKZPZSA-N 2 2 390.325 3.036 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC(=O)NCc3cccs3)C2)s1 ZINC000578800851 566555607 /nfs/dbraw/zinc/55/56/07/566555607.db2.gz CARWNUYMWGSYDJ-MRXNPFEDSA-N 2 2 377.579 3.188 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC(=O)NCc3cccs3)C2)s1 ZINC000578800851 566555612 /nfs/dbraw/zinc/55/56/12/566555612.db2.gz CARWNUYMWGSYDJ-MRXNPFEDSA-N 2 2 377.579 3.188 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC(=O)NCc3cccs3)C2)s1 ZINC000578800851 566555614 /nfs/dbraw/zinc/55/56/14/566555614.db2.gz CARWNUYMWGSYDJ-MRXNPFEDSA-N 2 2 377.579 3.188 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC(=O)NCc3cccs3)C2)s1 ZINC000578800851 566555618 /nfs/dbraw/zinc/55/56/18/566555618.db2.gz CARWNUYMWGSYDJ-MRXNPFEDSA-N 2 2 377.579 3.188 20 0 GGADLP CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000604205807 566557295 /nfs/dbraw/zinc/55/72/95/566557295.db2.gz YRDFCRFHYXWWQS-ZFWWWQNUSA-N 2 2 384.977 3.320 20 0 GGADLP CC[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000604205807 566557303 /nfs/dbraw/zinc/55/73/03/566557303.db2.gz YRDFCRFHYXWWQS-ZFWWWQNUSA-N 2 2 384.977 3.320 20 0 GGADLP CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000604205804 566558026 /nfs/dbraw/zinc/55/80/26/566558026.db2.gz YRDFCRFHYXWWQS-UKRRQHHQSA-N 2 2 384.977 3.320 20 0 GGADLP CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000604205804 566558033 /nfs/dbraw/zinc/55/80/33/566558033.db2.gz YRDFCRFHYXWWQS-UKRRQHHQSA-N 2 2 384.977 3.320 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCOc2ccc(Cl)c(Cl)c2)CC1 ZINC000449405471 566558356 /nfs/dbraw/zinc/55/83/56/566558356.db2.gz YUPOKZJVBNVJKG-UHFFFAOYSA-N 2 2 389.323 3.379 20 0 GGADLP C[N@@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)C1 ZINC000604379266 566562422 /nfs/dbraw/zinc/56/24/22/566562422.db2.gz IADJRIRQMCEVBW-HNNXBMFYSA-N 2 2 389.341 3.214 20 0 GGADLP C[N@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4c(Br)cccc34)CC2)C1 ZINC000604379266 566562430 /nfs/dbraw/zinc/56/24/30/566562430.db2.gz IADJRIRQMCEVBW-HNNXBMFYSA-N 2 2 389.341 3.214 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C/C=C/c2ccc(Br)cc2)CC1 ZINC000449461047 566565445 /nfs/dbraw/zinc/56/54/45/566565445.db2.gz SDWSUJQYYIDJSQ-DUXPYHPUSA-N 2 2 395.341 3.470 20 0 GGADLP C[NH+](C)CC(C)(C)CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000466344231 566567570 /nfs/dbraw/zinc/56/75/70/566567570.db2.gz UFDUFSVKUPKLKS-KRWDZBQOSA-N 2 2 396.373 3.290 20 0 GGADLP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000466334796 566567772 /nfs/dbraw/zinc/56/77/72/566567772.db2.gz NSHOWQXEHXIOMM-ROUUACIJSA-N 2 2 394.357 3.139 20 0 GGADLP C[C@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000674027759 566572232 /nfs/dbraw/zinc/57/22/32/566572232.db2.gz WNQBSNWQMTXUHT-ZDUSSCGKSA-N 2 2 387.355 3.380 20 0 GGADLP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)c[nH+]c12 ZINC000449553660 566574930 /nfs/dbraw/zinc/57/49/30/566574930.db2.gz MKZJJCZWTBXMHA-CPUCHLNUSA-N 2 2 378.314 3.388 20 0 GGADLP Cc1cc(Br)cn2c(C[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@@H]4C3)c[nH+]c12 ZINC000449553660 566574937 /nfs/dbraw/zinc/57/49/37/566574937.db2.gz MKZJJCZWTBXMHA-CPUCHLNUSA-N 2 2 378.314 3.388 20 0 GGADLP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)c[nH+]c12 ZINC000449553662 566575326 /nfs/dbraw/zinc/57/53/26/566575326.db2.gz MKZJJCZWTBXMHA-KEYYUXOJSA-N 2 2 378.314 3.388 20 0 GGADLP Cc1cc(Br)cn2c(C[N@H+]3CC[C@@H]4C[C@@H](O)CC[C@H]4C3)c[nH+]c12 ZINC000449553662 566575333 /nfs/dbraw/zinc/57/53/33/566575333.db2.gz MKZJJCZWTBXMHA-KEYYUXOJSA-N 2 2 378.314 3.388 20 0 GGADLP Brc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674062149 566575367 /nfs/dbraw/zinc/57/53/67/566575367.db2.gz HCTJVHJXXGDRFR-OAHLLOKOSA-N 2 2 376.298 3.298 20 0 GGADLP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)c[nH+]c12 ZINC000449553661 566575711 /nfs/dbraw/zinc/57/57/11/566575711.db2.gz MKZJJCZWTBXMHA-JKIFEVAISA-N 2 2 378.314 3.388 20 0 GGADLP Cc1cc(Br)cn2c(C[N@H+]3CC[C@@H]4C[C@H](O)CC[C@H]4C3)c[nH+]c12 ZINC000449553661 566575716 /nfs/dbraw/zinc/57/57/16/566575716.db2.gz MKZJJCZWTBXMHA-JKIFEVAISA-N 2 2 378.314 3.388 20 0 GGADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000449603267 566581716 /nfs/dbraw/zinc/58/17/16/566581716.db2.gz VQLLIEXBSRHXEY-XIRDDKMYSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000449603267 566581730 /nfs/dbraw/zinc/58/17/30/566581730.db2.gz VQLLIEXBSRHXEY-XIRDDKMYSA-N 2 2 381.358 3.123 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000539494213 566582940 /nfs/dbraw/zinc/58/29/40/566582940.db2.gz BTBKSLVEEKVHQI-DOMZBBRYSA-N 2 2 394.313 3.186 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000539494213 566582949 /nfs/dbraw/zinc/58/29/49/566582949.db2.gz BTBKSLVEEKVHQI-DOMZBBRYSA-N 2 2 394.313 3.186 20 0 GGADLP O=C(Nc1cccc(Br)c1)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000539452890 566584200 /nfs/dbraw/zinc/58/42/00/566584200.db2.gz IZKOWDWEKFZBCH-UHFFFAOYSA-N 2 2 391.313 3.386 20 0 GGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000579253310 566592899 /nfs/dbraw/zinc/59/28/99/566592899.db2.gz PEEIECQCGUHOLU-BEFAXECRSA-N 2 2 390.325 3.132 20 0 GGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cncc(Br)c1 ZINC000579253310 566592904 /nfs/dbraw/zinc/59/29/04/566592904.db2.gz PEEIECQCGUHOLU-BEFAXECRSA-N 2 2 390.325 3.132 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(OC)ccc3Br)CC2)c1 ZINC000513381452 566598771 /nfs/dbraw/zinc/59/87/71/566598771.db2.gz RGIKKHKOHIMMHW-UHFFFAOYSA-N 2 2 392.297 3.184 20 0 GGADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000579351444 566600678 /nfs/dbraw/zinc/60/06/78/566600678.db2.gz WPSUXJQUAMDLFB-RDTXWAMCSA-N 2 2 394.357 3.172 20 0 GGADLP Brc1cccc2[nH]c(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)nc21 ZINC000449775918 566601552 /nfs/dbraw/zinc/60/15/52/566601552.db2.gz NJZCETZELDGUSS-UHFFFAOYSA-N 2 2 386.297 3.479 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000652360712 566604749 /nfs/dbraw/zinc/60/47/49/566604749.db2.gz OKVFTPQBHLGSNI-DAXOMENPSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000652360712 566604755 /nfs/dbraw/zinc/60/47/55/566604755.db2.gz OKVFTPQBHLGSNI-DAXOMENPSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000652360713 566605093 /nfs/dbraw/zinc/60/50/93/566605093.db2.gz OKVFTPQBHLGSNI-KCXAZCMYSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000652360713 566605100 /nfs/dbraw/zinc/60/51/00/566605100.db2.gz OKVFTPQBHLGSNI-KCXAZCMYSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc3c(cc1Br)OCCCO3)C2 ZINC000652352814 566605283 /nfs/dbraw/zinc/60/52/83/566605283.db2.gz ZTPBWZRJTCFPCD-KSSFIOAISA-N 2 2 381.314 3.171 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc3c(cc1Br)OCCCO3)C2 ZINC000652352814 566605288 /nfs/dbraw/zinc/60/52/88/566605288.db2.gz ZTPBWZRJTCFPCD-KSSFIOAISA-N 2 2 381.314 3.171 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000652360715 566605618 /nfs/dbraw/zinc/60/56/18/566605618.db2.gz OKVFTPQBHLGSNI-WQVCFCJDSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000652360715 566605621 /nfs/dbraw/zinc/60/56/21/566605621.db2.gz OKVFTPQBHLGSNI-WQVCFCJDSA-N 2 2 386.323 3.293 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1CC[NH3+] ZINC000652354645 566605830 /nfs/dbraw/zinc/60/58/30/566605830.db2.gz DEBXQELSLFMEBH-BBRMVZONSA-N 2 2 393.329 3.372 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@H]1CC[NH3+] ZINC000652354645 566605833 /nfs/dbraw/zinc/60/58/33/566605833.db2.gz DEBXQELSLFMEBH-BBRMVZONSA-N 2 2 393.329 3.372 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000560259688 566612266 /nfs/dbraw/zinc/61/22/66/566612266.db2.gz BLFZTADGBSHPKT-AWEZNQCLSA-N 2 2 378.270 3.338 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(Br)c1 ZINC000560259688 566612272 /nfs/dbraw/zinc/61/22/72/566612272.db2.gz BLFZTADGBSHPKT-AWEZNQCLSA-N 2 2 378.270 3.338 20 0 GGADLP CN(C)c1[nH+]cc(C[N@@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)n1C ZINC000425333682 566631624 /nfs/dbraw/zinc/63/16/24/566631624.db2.gz FJEBDPJRRHIVSU-MRXNPFEDSA-N 2 2 392.345 3.325 20 0 GGADLP CN(C)c1[nH+]cc(C[N@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)n1C ZINC000425333682 566631627 /nfs/dbraw/zinc/63/16/27/566631627.db2.gz FJEBDPJRRHIVSU-MRXNPFEDSA-N 2 2 392.345 3.325 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 ZINC000653058288 566647893 /nfs/dbraw/zinc/64/78/93/566647893.db2.gz MVRDXJSFMGBGJP-KRWDZBQOSA-N 2 2 392.297 3.459 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000653074636 566649815 /nfs/dbraw/zinc/64/98/15/566649815.db2.gz PQIALGDKHXIONE-KRWDZBQOSA-N 2 2 380.319 3.478 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 ZINC000653064393 566649871 /nfs/dbraw/zinc/64/98/71/566649871.db2.gz RYVPVUCOWMOUAC-CYBMUJFWSA-N 2 2 387.336 3.258 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000653081506 566650027 /nfs/dbraw/zinc/65/00/27/566650027.db2.gz QVTJESIWFXFJIA-OAHLLOKOSA-N 2 2 383.279 3.398 20 0 GGADLP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C ZINC000653087807 566651493 /nfs/dbraw/zinc/65/14/93/566651493.db2.gz GWEMXZDVHWSJML-NHYWBVRUSA-N 2 2 380.945 3.228 20 0 GGADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3c(Cl)cccc3Cl)CC2)C1 ZINC000579934788 566652031 /nfs/dbraw/zinc/65/20/31/566652031.db2.gz VGDBIYKZMVPJHZ-CJNGLKHVSA-N 2 2 386.323 3.150 20 0 GGADLP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1n[nH]cc1Br)c1ccccc1O2 ZINC000540494915 566654679 /nfs/dbraw/zinc/65/46/79/566654679.db2.gz MKSSDMXRRFQOTL-HNNXBMFYSA-N 2 2 391.313 3.250 20 0 GGADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000675605801 566654854 /nfs/dbraw/zinc/65/48/54/566654854.db2.gz YRWMFUCQPSYNRZ-GOSISDBHSA-N 2 2 394.357 3.014 20 0 GGADLP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000675605801 566654863 /nfs/dbraw/zinc/65/48/63/566654863.db2.gz YRWMFUCQPSYNRZ-GOSISDBHSA-N 2 2 394.357 3.014 20 0 GGADLP C[C@@H](CNc1cc[nH+]c2cc(F)c(Br)cc12)N1CC[NH+](C)CC1 ZINC000450306351 566655971 /nfs/dbraw/zinc/65/59/71/566655971.db2.gz SPOVNJDDQQDYLY-LBPRGKRZSA-N 2 2 381.293 3.184 20 0 GGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1Br)c1ccc(F)cc1 ZINC000467753556 566660658 /nfs/dbraw/zinc/66/06/58/566660658.db2.gz QMDUOUQDOKEKAA-HKUYNNGSSA-N 2 2 395.316 3.384 20 0 GGADLP Clc1cc(Cl)cc(-c2nc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)co2)c1 ZINC000629531534 566664311 /nfs/dbraw/zinc/66/43/11/566664311.db2.gz ODQXIJBYMCLJEM-QGZVFWFLSA-N 2 2 381.307 3.128 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000629561625 566665572 /nfs/dbraw/zinc/66/55/72/566665572.db2.gz IWZOKIVMSHPVPT-NEPJUHHUSA-N 2 2 381.236 3.287 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000629561625 566665580 /nfs/dbraw/zinc/66/55/80/566665580.db2.gz IWZOKIVMSHPVPT-NEPJUHHUSA-N 2 2 381.236 3.287 20 0 GGADLP Clc1ccc2c(c1Cl)OCCC[C@@H]2[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000629552767 566666114 /nfs/dbraw/zinc/66/61/14/566666114.db2.gz PTJCSKLWDQTKAC-WFASDCNBSA-N 2 2 382.295 3.123 20 0 GGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@@H]1C(F)(F)F ZINC000629568163 566667565 /nfs/dbraw/zinc/66/75/65/566667565.db2.gz RVBNTISCKMKGHB-STQMWFEESA-N 2 2 378.822 3.460 20 0 GGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@@H]1C(F)(F)F ZINC000629568163 566667570 /nfs/dbraw/zinc/66/75/70/566667570.db2.gz RVBNTISCKMKGHB-STQMWFEESA-N 2 2 378.822 3.460 20 0 GGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@H]1C(F)(F)F ZINC000629568162 566667986 /nfs/dbraw/zinc/66/79/86/566667986.db2.gz RVBNTISCKMKGHB-QWHCGFSZSA-N 2 2 378.822 3.460 20 0 GGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@H]1C(F)(F)F ZINC000629568162 566667989 /nfs/dbraw/zinc/66/79/89/566667989.db2.gz RVBNTISCKMKGHB-QWHCGFSZSA-N 2 2 378.822 3.460 20 0 GGADLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000675886624 566669141 /nfs/dbraw/zinc/66/91/41/566669141.db2.gz SSKITOOBBVDSFS-LPHOPBHVSA-N 2 2 386.367 3.441 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000467834652 566670786 /nfs/dbraw/zinc/67/07/86/566670786.db2.gz LMUZKEPOBIJYQL-WMLDXEAASA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000467834652 566670790 /nfs/dbraw/zinc/67/07/90/566670790.db2.gz LMUZKEPOBIJYQL-WMLDXEAASA-N 2 2 382.346 3.042 20 0 GGADLP O[C@@H]1CCCC[C@@H]1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000580198018 566673073 /nfs/dbraw/zinc/67/30/73/566673073.db2.gz OBMMKGMXPJOJHH-GDBMZVCRSA-N 2 2 382.302 3.292 20 0 GGADLP [NH3+]C[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[C@@H]1C(F)(F)F ZINC000629655452 566676553 /nfs/dbraw/zinc/67/65/53/566676553.db2.gz KYPGRRQHDXNYMZ-GWCFXTLKSA-N 2 2 391.235 3.056 20 0 GGADLP [NH3+]C[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[C@H]1C(F)(F)F ZINC000629655453 566676916 /nfs/dbraw/zinc/67/69/16/566676916.db2.gz KYPGRRQHDXNYMZ-GXFFZTMASA-N 2 2 391.235 3.056 20 0 GGADLP C[C@@H]1[C@H]([NH+]2CCOCC2)CCN1c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000450533346 566683114 /nfs/dbraw/zinc/68/31/14/566683114.db2.gz UFWUGDNCFFDFFA-SJKOYZFVSA-N 2 2 394.288 3.436 20 0 GGADLP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cc(Br)ccc1F ZINC000580422421 566693255 /nfs/dbraw/zinc/69/32/55/566693255.db2.gz GUACOTNYYBUVEN-SNVBAGLBSA-N 2 2 382.281 3.024 20 0 GGADLP Cc1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450637464 566693455 /nfs/dbraw/zinc/69/34/55/566693455.db2.gz AOWWRSWZFDBHMD-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450637464 566693459 /nfs/dbraw/zinc/69/34/59/566693459.db2.gz AOWWRSWZFDBHMD-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@@H]21 ZINC000541069652 566694247 /nfs/dbraw/zinc/69/42/47/566694247.db2.gz MNTTWVDQZIKHCN-ACJLOTCBSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@@H]21 ZINC000541069652 566694258 /nfs/dbraw/zinc/69/42/58/566694258.db2.gz MNTTWVDQZIKHCN-ACJLOTCBSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@@H]21 ZINC000541069652 566694264 /nfs/dbraw/zinc/69/42/64/566694264.db2.gz MNTTWVDQZIKHCN-ACJLOTCBSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@@H]21 ZINC000541069652 566694271 /nfs/dbraw/zinc/69/42/71/566694271.db2.gz MNTTWVDQZIKHCN-ACJLOTCBSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC(CCO)([NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000515208640 566698261 /nfs/dbraw/zinc/69/82/61/566698261.db2.gz WTMKGGVRVMEFFO-UHFFFAOYSA-N 2 2 395.263 3.404 20 0 GGADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000676709706 566705541 /nfs/dbraw/zinc/70/55/41/566705541.db2.gz VUEULJIOXJINBF-UHFFFAOYSA-N 2 2 380.374 3.440 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000608500343 566719664 /nfs/dbraw/zinc/71/96/64/566719664.db2.gz MQCRZCVNYTVZKX-AWEZNQCLSA-N 2 2 381.314 3.486 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)OCO2 ZINC000608500343 566719671 /nfs/dbraw/zinc/71/96/71/566719671.db2.gz MQCRZCVNYTVZKX-AWEZNQCLSA-N 2 2 381.314 3.486 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c[nH+]c12 ZINC000541535224 566731798 /nfs/dbraw/zinc/73/17/98/566731798.db2.gz TXQQSXILKZJNEL-YOEHRIQHSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c[nH+]c12 ZINC000541535224 566731800 /nfs/dbraw/zinc/73/18/00/566731800.db2.gz TXQQSXILKZJNEL-YOEHRIQHSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c[nH+]c12 ZINC000541535222 566732555 /nfs/dbraw/zinc/73/25/55/566732555.db2.gz TXQQSXILKZJNEL-RHSMWYFYSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c[nH+]c12 ZINC000541535222 566732565 /nfs/dbraw/zinc/73/25/65/566732565.db2.gz TXQQSXILKZJNEL-RHSMWYFYSA-N 2 2 377.330 3.321 20 0 GGADLP C[C@@H](c1ncc(Br)cn1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000561854939 566744822 /nfs/dbraw/zinc/74/48/22/566744822.db2.gz QQSAOCOERRXPEC-HNNXBMFYSA-N 2 2 397.361 3.125 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427121283 566748407 /nfs/dbraw/zinc/74/84/07/566748407.db2.gz HQQYYOBXYALWQB-RDTXWAMCSA-N 2 2 375.314 3.127 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427121283 566748412 /nfs/dbraw/zinc/74/84/12/566748412.db2.gz HQQYYOBXYALWQB-RDTXWAMCSA-N 2 2 375.314 3.127 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561959869 566751826 /nfs/dbraw/zinc/75/18/26/566751826.db2.gz HTOIBQGVFUKSQW-DOTOQJQBSA-N 2 2 378.563 3.152 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561959869 566751832 /nfs/dbraw/zinc/75/18/32/566751832.db2.gz HTOIBQGVFUKSQW-DOTOQJQBSA-N 2 2 378.563 3.152 20 0 GGADLP CC[C@@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000469011095 566753556 /nfs/dbraw/zinc/75/35/56/566753556.db2.gz OGHAXBBGESXKDC-BEFAXECRSA-N 2 2 391.357 3.461 20 0 GGADLP CC[C@@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)[N@H+]1CCc2ccccc2C1 ZINC000469011095 566753561 /nfs/dbraw/zinc/75/35/61/566753561.db2.gz OGHAXBBGESXKDC-BEFAXECRSA-N 2 2 391.357 3.461 20 0 GGADLP CC[C@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)[N@@H+]1CCc2ccccc2C1 ZINC000469011257 566753580 /nfs/dbraw/zinc/75/35/80/566753580.db2.gz OGHAXBBGESXKDC-HNAYVOBHSA-N 2 2 391.357 3.461 20 0 GGADLP CC[C@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)[N@H+]1CCc2ccccc2C1 ZINC000469011257 566753594 /nfs/dbraw/zinc/75/35/94/566753594.db2.gz OGHAXBBGESXKDC-HNAYVOBHSA-N 2 2 391.357 3.461 20 0 GGADLP C[C@@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000541909397 566759456 /nfs/dbraw/zinc/75/94/56/566759456.db2.gz YYYUBNQUMGLKJZ-MRXNPFEDSA-N 2 2 380.374 3.345 20 0 GGADLP C[C@@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000541909397 566759461 /nfs/dbraw/zinc/75/94/61/566759461.db2.gz YYYUBNQUMGLKJZ-MRXNPFEDSA-N 2 2 380.374 3.345 20 0 GGADLP Cc1cc(Br)c2ccccc2c1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000581238710 566760505 /nfs/dbraw/zinc/76/05/05/566760505.db2.gz NHMDKJHQAUIKIT-CYBMUJFWSA-N 2 2 391.313 3.017 20 0 GGADLP Cc1cc(Br)c2ccccc2c1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000581238710 566760510 /nfs/dbraw/zinc/76/05/10/566760510.db2.gz NHMDKJHQAUIKIT-CYBMUJFWSA-N 2 2 391.313 3.017 20 0 GGADLP CC[N@H+](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)CCC(F)(F)F ZINC000427256192 566760746 /nfs/dbraw/zinc/76/07/46/566760746.db2.gz IVNQPTUFDQCEHS-HNNXBMFYSA-N 2 2 379.854 3.333 20 0 GGADLP CC[N@@H+](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)CCC(F)(F)F ZINC000427256192 566760749 /nfs/dbraw/zinc/76/07/49/566760749.db2.gz IVNQPTUFDQCEHS-HNNXBMFYSA-N 2 2 379.854 3.333 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 ZINC000469116349 566763177 /nfs/dbraw/zinc/76/31/77/566763177.db2.gz WXNQALGLDCNMMX-UHFFFAOYSA-N 2 2 384.351 3.167 20 0 GGADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000581300978 566765557 /nfs/dbraw/zinc/76/55/57/566765557.db2.gz OWYWQZGNGWXHKL-MAUKXSAKSA-N 2 2 386.323 3.150 20 0 GGADLP C[NH+](C)CC1CC[NH+](Cc2c(Br)cncc2Br)CC1 ZINC000562201196 566770055 /nfs/dbraw/zinc/77/00/55/566770055.db2.gz NMXKSSKUCCBJGS-UHFFFAOYSA-N 2 2 391.151 3.380 20 0 GGADLP O=C(C[NH+]1CCC(CCCn2cc[nH+]c2)CC1)NCc1ccc(Cl)s1 ZINC000542133555 566776836 /nfs/dbraw/zinc/77/68/36/566776836.db2.gz WOTQZKXGTZGFQR-UHFFFAOYSA-N 2 2 380.945 3.407 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000631193500 566788609 /nfs/dbraw/zinc/78/86/09/566788609.db2.gz FYYDTFBKUZNWIZ-DOTOQJQBSA-N 2 2 378.563 3.009 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000631193500 566788616 /nfs/dbraw/zinc/78/86/16/566788616.db2.gz FYYDTFBKUZNWIZ-DOTOQJQBSA-N 2 2 378.563 3.009 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000631193502 566789224 /nfs/dbraw/zinc/78/92/24/566789224.db2.gz FYYDTFBKUZNWIZ-RDJZCZTQSA-N 2 2 378.563 3.009 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000631193502 566789228 /nfs/dbraw/zinc/78/92/28/566789228.db2.gz FYYDTFBKUZNWIZ-RDJZCZTQSA-N 2 2 378.563 3.009 20 0 GGADLP CS[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000451319857 566796504 /nfs/dbraw/zinc/79/65/04/566796504.db2.gz JBMIBVFATCIYLI-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP CS[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000451319857 566796508 /nfs/dbraw/zinc/79/65/08/566796508.db2.gz JBMIBVFATCIYLI-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(F)c(Cl)c3Cl)CC2)CC1 ZINC000581753020 566803852 /nfs/dbraw/zinc/80/38/52/566803852.db2.gz DWKXOKONONUKFU-UHFFFAOYSA-N 2 2 388.314 3.119 20 0 GGADLP O=C(C[NH2+][C@H](c1cccs1)C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000542511408 566806424 /nfs/dbraw/zinc/80/64/24/566806424.db2.gz QMHVISRLKPFYKE-IBGZPJMESA-N 2 2 375.563 3.195 20 0 GGADLP O=C(C[NH2+][C@@H](c1cccs1)C1CC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000542508987 566807285 /nfs/dbraw/zinc/80/72/85/566807285.db2.gz DRIPOMUQUBDHQI-LJQANCHMSA-N 2 2 375.563 3.195 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000428035422 566812565 /nfs/dbraw/zinc/81/25/65/566812565.db2.gz FVYBEQATFPHFBK-JLSDUUJJSA-N 2 2 382.335 3.341 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000428035422 566812572 /nfs/dbraw/zinc/81/25/72/566812572.db2.gz FVYBEQATFPHFBK-JLSDUUJJSA-N 2 2 382.335 3.341 20 0 GGADLP CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2ccsc2)CC1 ZINC000469774429 566812959 /nfs/dbraw/zinc/81/29/59/566812959.db2.gz FXYXQKMKFICJDW-ROUUACIJSA-N 2 2 381.611 3.046 20 0 GGADLP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000489825137 566813110 /nfs/dbraw/zinc/81/31/10/566813110.db2.gz LXSGWFKJRNWIDI-OAHLLOKOSA-N 2 2 379.302 3.126 20 0 GGADLP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000489825137 566813112 /nfs/dbraw/zinc/81/31/12/566813112.db2.gz LXSGWFKJRNWIDI-OAHLLOKOSA-N 2 2 379.302 3.126 20 0 GGADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000489825134 566813170 /nfs/dbraw/zinc/81/31/70/566813170.db2.gz LXSGWFKJRNWIDI-HNNXBMFYSA-N 2 2 379.302 3.126 20 0 GGADLP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(Br)c2)no1 ZINC000489825134 566813174 /nfs/dbraw/zinc/81/31/74/566813174.db2.gz LXSGWFKJRNWIDI-HNNXBMFYSA-N 2 2 379.302 3.126 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(I)c1)CCC2 ZINC000517250785 566816390 /nfs/dbraw/zinc/81/63/90/566816390.db2.gz PQUNLXUGWMAFDM-CQSZACIVSA-N 2 2 381.261 3.463 20 0 GGADLP C[NH+](C)Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)cc1 ZINC000581958379 566818912 /nfs/dbraw/zinc/81/89/12/566818912.db2.gz XUXHSVWCZMMZHI-UHFFFAOYSA-N 2 2 381.929 3.264 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469851267 566820277 /nfs/dbraw/zinc/82/02/77/566820277.db2.gz YJCDCRFNSKDWBH-GXSJLCMTSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(Br)c1OC(F)F ZINC000469851267 566820283 /nfs/dbraw/zinc/82/02/83/566820283.db2.gz YJCDCRFNSKDWBH-GXSJLCMTSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC(F)F ZINC000469862879 566821852 /nfs/dbraw/zinc/82/18/52/566821852.db2.gz NXQNJMXVGYTZBG-GXSJLCMTSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(Br)c1OC(F)F ZINC000469862879 566821858 /nfs/dbraw/zinc/82/18/58/566821858.db2.gz NXQNJMXVGYTZBG-GXSJLCMTSA-N 2 2 379.245 3.228 20 0 GGADLP CCCOc1c(Br)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000469868611 566821975 /nfs/dbraw/zinc/82/19/75/566821975.db2.gz FPUYNDAMKHIURF-OFQRWUPVSA-N 2 2 383.330 3.416 20 0 GGADLP CCCOc1c(Br)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000469868611 566821981 /nfs/dbraw/zinc/82/19/81/566821981.db2.gz FPUYNDAMKHIURF-OFQRWUPVSA-N 2 2 383.330 3.416 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000469880448 566823040 /nfs/dbraw/zinc/82/30/40/566823040.db2.gz QRQXIBQUHBXRJG-IAOVAPTHSA-N 2 2 383.330 3.034 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000469880448 566823047 /nfs/dbraw/zinc/82/30/47/566823047.db2.gz QRQXIBQUHBXRJG-IAOVAPTHSA-N 2 2 383.330 3.034 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000469880453 566824142 /nfs/dbraw/zinc/82/41/42/566824142.db2.gz QRQXIBQUHBXRJG-RRQGHBQHSA-N 2 2 383.330 3.034 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000469880453 566824149 /nfs/dbraw/zinc/82/41/49/566824149.db2.gz QRQXIBQUHBXRJG-RRQGHBQHSA-N 2 2 383.330 3.034 20 0 GGADLP COc1ccc(Br)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000678930888 566824746 /nfs/dbraw/zinc/82/47/46/566824746.db2.gz VXDWXJIZKMRMJX-KRWDZBQOSA-N 2 2 383.330 3.191 20 0 GGADLP COc1ccc(Br)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000678930892 566825793 /nfs/dbraw/zinc/82/57/93/566825793.db2.gz VXDWXJIZKMRMJX-QGZVFWFLSA-N 2 2 383.330 3.191 20 0 GGADLP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000582062663 566826980 /nfs/dbraw/zinc/82/69/80/566826980.db2.gz UBHSQHWRRVRNLQ-NEPJUHHUSA-N 2 2 379.220 3.389 20 0 GGADLP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000582062663 566826987 /nfs/dbraw/zinc/82/69/87/566826987.db2.gz UBHSQHWRRVRNLQ-NEPJUHHUSA-N 2 2 379.220 3.389 20 0 GGADLP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000582062666 566828051 /nfs/dbraw/zinc/82/80/51/566828051.db2.gz UBHSQHWRRVRNLQ-VXGBXAGGSA-N 2 2 379.220 3.389 20 0 GGADLP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1Br ZINC000582062666 566828054 /nfs/dbraw/zinc/82/80/54/566828054.db2.gz UBHSQHWRRVRNLQ-VXGBXAGGSA-N 2 2 379.220 3.389 20 0 GGADLP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000582062665 566828256 /nfs/dbraw/zinc/82/82/56/566828256.db2.gz UBHSQHWRRVRNLQ-RYUDHWBXSA-N 2 2 379.220 3.389 20 0 GGADLP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1Br ZINC000582062665 566828261 /nfs/dbraw/zinc/82/82/61/566828261.db2.gz UBHSQHWRRVRNLQ-RYUDHWBXSA-N 2 2 379.220 3.389 20 0 GGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090449 566830380 /nfs/dbraw/zinc/83/03/80/566830380.db2.gz ZUIWBMDUPPOTNX-UGSOOPFHSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090449 566830389 /nfs/dbraw/zinc/83/03/89/566830389.db2.gz ZUIWBMDUPPOTNX-UGSOOPFHSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090449 566830398 /nfs/dbraw/zinc/83/03/98/566830398.db2.gz ZUIWBMDUPPOTNX-UGSOOPFHSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090449 566830403 /nfs/dbraw/zinc/83/04/03/566830403.db2.gz ZUIWBMDUPPOTNX-UGSOOPFHSA-N 2 2 380.323 3.490 20 0 GGADLP CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428381033 566835684 /nfs/dbraw/zinc/83/56/84/566835684.db2.gz MDXNVWNIKMBRNA-INIZCTEOSA-N 2 2 382.599 3.141 20 0 GGADLP CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428381033 566835689 /nfs/dbraw/zinc/83/56/89/566835689.db2.gz MDXNVWNIKMBRNA-INIZCTEOSA-N 2 2 382.599 3.141 20 0 GGADLP CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428381034 566836089 /nfs/dbraw/zinc/83/60/89/566836089.db2.gz MDXNVWNIKMBRNA-MRXNPFEDSA-N 2 2 382.599 3.141 20 0 GGADLP CSC[C@H]1CCC[N@H+]1CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428381034 566836095 /nfs/dbraw/zinc/83/60/95/566836095.db2.gz MDXNVWNIKMBRNA-MRXNPFEDSA-N 2 2 382.599 3.141 20 0 GGADLP Brc1ccc(-c2nc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)co2)cc1 ZINC000582188968 566839293 /nfs/dbraw/zinc/83/92/93/566839293.db2.gz BHLCNBJZYQXRDZ-UHFFFAOYSA-N 2 2 388.269 3.149 20 0 GGADLP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655733384 566841404 /nfs/dbraw/zinc/84/14/04/566841404.db2.gz MNJXZJCVIINJCC-CJNGLKHVSA-N 2 2 385.321 3.362 20 0 GGADLP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1Cl ZINC000655751853 566843036 /nfs/dbraw/zinc/84/30/36/566843036.db2.gz GRSHGCFLGXPBAZ-RDJZCZTQSA-N 2 2 384.351 3.415 20 0 GGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000490338478 566843137 /nfs/dbraw/zinc/84/31/37/566843137.db2.gz DQCALCMAMIQPOO-CRAIPNDOSA-N 2 2 377.330 3.461 20 0 GGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000490338478 566843143 /nfs/dbraw/zinc/84/31/43/566843143.db2.gz DQCALCMAMIQPOO-CRAIPNDOSA-N 2 2 377.330 3.461 20 0 GGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000490338479 566843983 /nfs/dbraw/zinc/84/39/83/566843983.db2.gz DQCALCMAMIQPOO-MAUKXSAKSA-N 2 2 377.330 3.461 20 0 GGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000490338479 566843986 /nfs/dbraw/zinc/84/39/86/566843986.db2.gz DQCALCMAMIQPOO-MAUKXSAKSA-N 2 2 377.330 3.461 20 0 GGADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000562999708 566844341 /nfs/dbraw/zinc/84/43/41/566844341.db2.gz DDUAARITCGLJGU-BEHLRCOKSA-N 2 2 387.351 3.157 20 0 GGADLP Fc1cc(Br)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000655766540 566844447 /nfs/dbraw/zinc/84/44/47/566844447.db2.gz IHPIQAHHCOLJKK-ZDUSSCGKSA-N 2 2 375.257 3.070 20 0 GGADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CS2 ZINC000655762833 566845970 /nfs/dbraw/zinc/84/59/70/566845970.db2.gz YRYINEMTLXLGMA-HOCLYGCPSA-N 2 2 383.355 3.439 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000655761297 566846138 /nfs/dbraw/zinc/84/61/38/566846138.db2.gz GXWWOPYXCAVGSV-MRXNPFEDSA-N 2 2 386.297 3.244 20 0 GGADLP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771655 566847395 /nfs/dbraw/zinc/84/73/95/566847395.db2.gz AMXSHZWPBSBUSH-CXAGYDPISA-N 2 2 383.305 3.418 20 0 GGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(c3ccc(Br)cc3)CC2)n1 ZINC000582301915 566848617 /nfs/dbraw/zinc/84/86/17/566848617.db2.gz FOQWNLMBJMMDJJ-UHFFFAOYSA-N 2 2 379.302 3.406 20 0 GGADLP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C[NH+]1CCOCC1 ZINC000679340727 566848857 /nfs/dbraw/zinc/84/88/57/566848857.db2.gz NMRDVJAQTZRRQZ-MNEFBYGVSA-N 2 2 397.357 3.227 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679343210 566849598 /nfs/dbraw/zinc/84/95/98/566849598.db2.gz WUXHJDGSZVJEPE-MOPGFXCFSA-N 2 2 397.357 3.106 20 0 GGADLP C[C@H](C[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1)C[NH+]1CCOCC1 ZINC000679340726 566849654 /nfs/dbraw/zinc/84/96/54/566849654.db2.gz NMRDVJAQTZRRQZ-LZQZEXGQSA-N 2 2 397.357 3.227 20 0 GGADLP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1)C[NH+]1CCOCC1 ZINC000679340721 566849913 /nfs/dbraw/zinc/84/99/13/566849913.db2.gz NMRDVJAQTZRRQZ-ATZDWAIDSA-N 2 2 397.357 3.227 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1O ZINC000490429909 566850500 /nfs/dbraw/zinc/85/05/00/566850500.db2.gz FUNGTWMULSJTQA-AWEZNQCLSA-N 2 2 379.254 3.212 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1O ZINC000490429909 566850506 /nfs/dbraw/zinc/85/05/06/566850506.db2.gz FUNGTWMULSJTQA-AWEZNQCLSA-N 2 2 379.254 3.212 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000582329710 566851091 /nfs/dbraw/zinc/85/10/91/566851091.db2.gz GADAKYZUFLBAEE-OAHLLOKOSA-N 2 2 392.345 3.384 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000582329710 566851097 /nfs/dbraw/zinc/85/10/97/566851097.db2.gz GADAKYZUFLBAEE-OAHLLOKOSA-N 2 2 392.345 3.384 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000470161189 566851543 /nfs/dbraw/zinc/85/15/43/566851543.db2.gz NIRHCNNQXKKNII-RVKKMQEKSA-N 2 2 377.330 3.459 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000470161189 566851548 /nfs/dbraw/zinc/85/15/48/566851548.db2.gz NIRHCNNQXKKNII-RVKKMQEKSA-N 2 2 377.330 3.459 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000470169380 566853661 /nfs/dbraw/zinc/85/36/61/566853661.db2.gz DUIAYFFPBQBMLT-OCCSQVGLSA-N 2 2 380.334 3.133 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C[C@@H]21 ZINC000517937285 566855903 /nfs/dbraw/zinc/85/59/03/566855903.db2.gz TYWYZKHNAQVZCI-SCDSUCTJSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C[C@@H]21 ZINC000517937285 566855910 /nfs/dbraw/zinc/85/59/10/566855910.db2.gz TYWYZKHNAQVZCI-SCDSUCTJSA-N 2 2 375.822 3.357 20 0 GGADLP Cc1cccn2c(C[NH2+]C[C@@H](CO)Cc3cccc(Br)c3)c[nH+]c12 ZINC000428543585 566856438 /nfs/dbraw/zinc/85/64/38/566856438.db2.gz SLNURPNYTNQJIV-INIZCTEOSA-N 2 2 388.309 3.346 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(Cl)cc(Cl)cc3N(C)C)C2)CC1 ZINC000582392153 566858736 /nfs/dbraw/zinc/85/87/36/566858736.db2.gz NQXWCDHBYIQHAL-INIZCTEOSA-N 2 2 385.383 3.271 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)cc(Cl)cc3N(C)C)C2)CC1 ZINC000582392153 566858740 /nfs/dbraw/zinc/85/87/40/566858740.db2.gz NQXWCDHBYIQHAL-INIZCTEOSA-N 2 2 385.383 3.271 20 0 GGADLP CC(C)([NH3+])c1noc(C[NH+]2CCC(c3ccccc3Br)CC2)n1 ZINC000518187694 566870491 /nfs/dbraw/zinc/87/04/91/566870491.db2.gz FITJALYKOFHOKI-UHFFFAOYSA-N 2 2 379.302 3.406 20 0 GGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000543446527 566882923 /nfs/dbraw/zinc/88/29/23/566882923.db2.gz IKUZFCUUEZTCMZ-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000543446527 566882929 /nfs/dbraw/zinc/88/29/29/566882929.db2.gz IKUZFCUUEZTCMZ-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1csc2c1cccc2Br ZINC000563438038 566884084 /nfs/dbraw/zinc/88/40/84/566884084.db2.gz DCPIGGIDKOCMGD-OAHLLOKOSA-N 2 2 396.354 3.093 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1csc2c1cccc2Br ZINC000563438038 566884093 /nfs/dbraw/zinc/88/40/93/566884093.db2.gz DCPIGGIDKOCMGD-OAHLLOKOSA-N 2 2 396.354 3.093 20 0 GGADLP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ncc(Br)cc1F ZINC000582730414 566888935 /nfs/dbraw/zinc/88/89/35/566888935.db2.gz MXTMQVYNMWZMSI-LBPRGKRZSA-N 2 2 397.292 3.169 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000656252335 566890353 /nfs/dbraw/zinc/89/03/53/566890353.db2.gz SPEGEMYCJIHHPR-OAHLLOKOSA-N 2 2 377.330 3.327 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000656252335 566890356 /nfs/dbraw/zinc/89/03/56/566890356.db2.gz SPEGEMYCJIHHPR-OAHLLOKOSA-N 2 2 377.330 3.327 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000656255396 566890528 /nfs/dbraw/zinc/89/05/28/566890528.db2.gz KTXCDAAGHFEMHE-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000656255396 566890530 /nfs/dbraw/zinc/89/05/30/566890530.db2.gz KTXCDAAGHFEMHE-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000656255396 566890531 /nfs/dbraw/zinc/89/05/31/566890531.db2.gz KTXCDAAGHFEMHE-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000656255396 566890532 /nfs/dbraw/zinc/89/05/32/566890532.db2.gz KTXCDAAGHFEMHE-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000656259760 566893809 /nfs/dbraw/zinc/89/38/09/566893809.db2.gz CHQLRWNBGLSQJR-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000656259760 566893813 /nfs/dbraw/zinc/89/38/13/566893813.db2.gz CHQLRWNBGLSQJR-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000656259760 566893817 /nfs/dbraw/zinc/89/38/17/566893817.db2.gz CHQLRWNBGLSQJR-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000656259760 566893824 /nfs/dbraw/zinc/89/38/24/566893824.db2.gz CHQLRWNBGLSQJR-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)cc(F)c3F)CC2)C1 ZINC000582851926 566899669 /nfs/dbraw/zinc/89/96/69/566899669.db2.gz TXWQIQMNTQEQIO-GDBMZVCRSA-N 2 2 389.284 3.446 20 0 GGADLP CCN(CCC[NH+](C)C)C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000470847036 566909207 /nfs/dbraw/zinc/90/92/07/566909207.db2.gz CEWKOEWEFGKTAE-GOSISDBHSA-N 2 2 396.373 3.386 20 0 GGADLP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000451977597 566915810 /nfs/dbraw/zinc/91/58/10/566915810.db2.gz DXBKEFPGXLVXJP-UHFFFAOYSA-N 2 2 395.345 3.096 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2C)CC1 ZINC000611409918 566916412 /nfs/dbraw/zinc/91/64/12/566916412.db2.gz KIHZJEINYNOQKR-UHFFFAOYSA-N 2 2 383.330 3.265 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCCc2cccc(Br)c2)CC1 ZINC000611409975 566916478 /nfs/dbraw/zinc/91/64/78/566916478.db2.gz SIFAQUHLOBLPFZ-UHFFFAOYSA-N 2 2 397.357 3.389 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519176758 566925114 /nfs/dbraw/zinc/92/51/14/566925114.db2.gz IJXFAXSAVKZEGS-AWEZNQCLSA-N 2 2 381.307 3.175 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000519176758 566925123 /nfs/dbraw/zinc/92/51/23/566925123.db2.gz IJXFAXSAVKZEGS-AWEZNQCLSA-N 2 2 381.307 3.175 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)CCC2 ZINC000563881463 566925402 /nfs/dbraw/zinc/92/54/02/566925402.db2.gz JDUWHGHRNXXYFF-DZGCQCFKSA-N 2 2 384.307 3.405 20 0 GGADLP O=S(=O)(CC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000583199030 566929197 /nfs/dbraw/zinc/92/91/97/566929197.db2.gz VKQPHNCBFXTCHW-QGZVFWFLSA-N 2 2 378.563 3.024 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000583258590 566934830 /nfs/dbraw/zinc/93/48/30/566934830.db2.gz OUCADEQZSUDAHJ-LPHOPBHVSA-N 2 2 378.563 3.195 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000583258590 566934835 /nfs/dbraw/zinc/93/48/35/566934835.db2.gz OUCADEQZSUDAHJ-LPHOPBHVSA-N 2 2 378.563 3.195 20 0 GGADLP Cc1cc[nH+]cc1CCC[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000583289649 566937703 /nfs/dbraw/zinc/93/77/03/566937703.db2.gz LJVGFMHBHJASFR-UHFFFAOYSA-N 2 2 390.325 3.495 20 0 GGADLP C[C@H](NC(=O)C[N@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000452118381 566938748 /nfs/dbraw/zinc/93/87/48/566938748.db2.gz OVRMSXRSECLQPP-ZDUSSCGKSA-N 2 2 377.476 3.274 20 0 GGADLP C[C@H](NC(=O)C[N@@H+](C)C1CC[NH+](CCC(F)(F)F)CC1)c1cccs1 ZINC000452118381 566938755 /nfs/dbraw/zinc/93/87/55/566938755.db2.gz OVRMSXRSECLQPP-ZDUSSCGKSA-N 2 2 377.476 3.274 20 0 GGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)[C@@H](O)C(F)(F)F ZINC000544179454 566946650 /nfs/dbraw/zinc/94/66/50/566946650.db2.gz SLXXXGPOMWUSDX-VXGBXAGGSA-N 2 2 380.208 3.197 20 0 GGADLP Clc1ccc(-c2nnc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)o2)c(Cl)c1 ZINC000583507527 566958495 /nfs/dbraw/zinc/95/84/95/566958495.db2.gz AFEQDGHOCYWVDU-UHFFFAOYSA-N 2 2 379.251 3.089 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000493951102 566963708 /nfs/dbraw/zinc/96/37/08/566963708.db2.gz AARSEVMXUJBYNB-CKEIUWERSA-N 2 2 382.346 3.028 20 0 GGADLP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]Cc1cccc(-n2cc[nH+]c2)c1 ZINC000544632500 566974789 /nfs/dbraw/zinc/97/47/89/566974789.db2.gz RXNADCJXYKTDHN-UHFFFAOYSA-N 2 2 375.881 3.219 20 0 GGADLP C[C@H]1C[C@H]1[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)C1 ZINC000430114870 566983370 /nfs/dbraw/zinc/98/33/70/566983370.db2.gz FDMDVLHXAJFCFI-JKIFEVAISA-N 2 2 377.330 3.259 20 0 GGADLP C[C@H]1C[C@H]1[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)C1 ZINC000430114870 566983382 /nfs/dbraw/zinc/98/33/82/566983382.db2.gz FDMDVLHXAJFCFI-JKIFEVAISA-N 2 2 377.330 3.259 20 0 GGADLP C[C@H]1C[C@@H]1[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)C1 ZINC000430114871 566983893 /nfs/dbraw/zinc/98/38/93/566983893.db2.gz FDMDVLHXAJFCFI-KEYYUXOJSA-N 2 2 377.330 3.259 20 0 GGADLP C[C@H]1C[C@@H]1[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)C1 ZINC000430114871 566983897 /nfs/dbraw/zinc/98/38/97/566983897.db2.gz FDMDVLHXAJFCFI-KEYYUXOJSA-N 2 2 377.330 3.259 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cccc4c3OCO4)[nH+]c12 ZINC000544709512 566985251 /nfs/dbraw/zinc/98/52/51/566985251.db2.gz CXQDAIWKYCIWIS-UHFFFAOYSA-N 2 2 388.265 3.466 20 0 GGADLP Brc1ccccc1CN1CCC([NH2+][C@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494392887 566997256 /nfs/dbraw/zinc/99/72/56/566997256.db2.gz QCRIPEYZPKGZRD-KRWDZBQOSA-N 2 2 389.341 3.215 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000494425557 567000124 /nfs/dbraw/zinc/00/01/24/567000124.db2.gz MJVWIJDWFASJCY-ZDUSSCGKSA-N 2 2 380.286 3.158 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)[nH+]c12 ZINC000544858192 567002288 /nfs/dbraw/zinc/00/22/88/567002288.db2.gz DFFVWEMYNNDPKP-HZSPNIEDSA-N 2 2 393.329 3.283 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)[nH+]c12 ZINC000544858192 567002294 /nfs/dbraw/zinc/00/22/94/567002294.db2.gz DFFVWEMYNNDPKP-HZSPNIEDSA-N 2 2 393.329 3.283 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1Cl ZINC000564791802 567008122 /nfs/dbraw/zinc/00/81/22/567008122.db2.gz IPHSMGPVAWWGSD-SJLPKXTDSA-N 2 2 378.925 3.326 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1Cl ZINC000564791801 567008162 /nfs/dbraw/zinc/00/81/62/567008162.db2.gz IPHSMGPVAWWGSD-FUHWJXTLSA-N 2 2 378.925 3.326 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cccc4[nH+]ccn43)nc12 ZINC000544937783 567009290 /nfs/dbraw/zinc/00/92/90/567009290.db2.gz XAJRWKDLJRSRSG-UHFFFAOYSA-N 2 2 384.281 3.385 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472264865 567013780 /nfs/dbraw/zinc/01/37/80/567013780.db2.gz LYRCGHPYCVZJCR-AWEZNQCLSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2Cl)C1 ZINC000472264865 567013790 /nfs/dbraw/zinc/01/37/90/567013790.db2.gz LYRCGHPYCVZJCR-AWEZNQCLSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472281245 567014643 /nfs/dbraw/zinc/01/46/43/567014643.db2.gz ZEMHYXLIQKARAA-HNNXBMFYSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472281245 567014648 /nfs/dbraw/zinc/01/46/48/567014648.db2.gz ZEMHYXLIQKARAA-HNNXBMFYSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000472279334 567014705 /nfs/dbraw/zinc/01/47/05/567014705.db2.gz PVLUBLOJZXFKDB-HNNXBMFYSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000472279334 567014708 /nfs/dbraw/zinc/01/47/08/567014708.db2.gz PVLUBLOJZXFKDB-HNNXBMFYSA-N 2 2 388.339 3.365 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)[nH+]c12 ZINC000494762646 567020322 /nfs/dbraw/zinc/02/03/22/567020322.db2.gz ZYIFFILTTYTXKE-IXDOHACOSA-N 2 2 390.325 3.495 20 0 GGADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000430556482 567021406 /nfs/dbraw/zinc/02/14/06/567021406.db2.gz UMECINICQAIPOY-AWEZNQCLSA-N 2 2 396.251 3.369 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000545159578 567023825 /nfs/dbraw/zinc/02/38/25/567023825.db2.gz RMYHVLSOXYFXQV-OALUTQOASA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000545159578 567023829 /nfs/dbraw/zinc/02/38/29/567023829.db2.gz RMYHVLSOXYFXQV-OALUTQOASA-N 2 2 393.300 3.334 20 0 GGADLP CC[NH2+]CC1CC[NH+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000430603018 567025734 /nfs/dbraw/zinc/02/57/34/567025734.db2.gz XNQHPFQZINDEAU-UHFFFAOYSA-N 2 2 379.353 3.089 20 0 GGADLP [NH3+]C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430641140 567026382 /nfs/dbraw/zinc/02/63/82/567026382.db2.gz ICMGZQPWLGVISZ-SNVBAGLBSA-N 2 2 394.235 3.077 20 0 GGADLP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000430641140 567026386 /nfs/dbraw/zinc/02/63/86/567026386.db2.gz ICMGZQPWLGVISZ-SNVBAGLBSA-N 2 2 394.235 3.077 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000430904083 567038316 /nfs/dbraw/zinc/03/83/16/567038316.db2.gz OCJHYVZTFGZXGT-KBAYOESNSA-N 2 2 394.357 3.172 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000430904112 567038922 /nfs/dbraw/zinc/03/89/22/567038922.db2.gz ONQVEWCOCICKFQ-FGTMMUONSA-N 2 2 394.357 3.172 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000430904081 567039011 /nfs/dbraw/zinc/03/90/11/567039011.db2.gz OCJHYVZTFGZXGT-BPQIPLTHSA-N 2 2 394.357 3.172 20 0 GGADLP CCO[C@@H]1C[C@@H]([NH2+]Cc2c[nH+]c3c(C)cc(Br)cn23)[C@]12CCCO2 ZINC000545350124 567041290 /nfs/dbraw/zinc/04/12/90/567041290.db2.gz RJDCVUJJRLVMOO-JFIYKMOQSA-N 2 2 394.313 3.221 20 0 GGADLP COc1ccc(Br)cc1-c1nc(C[N@@H+]2CC[C@H](C[NH3+])C2)cs1 ZINC000430955463 567042557 /nfs/dbraw/zinc/04/25/57/567042557.db2.gz AKCLQJYQVKHDGE-LLVKDONJSA-N 2 2 382.327 3.362 20 0 GGADLP COc1ccc(Br)cc1-c1nc(C[N@H+]2CC[C@H](C[NH3+])C2)cs1 ZINC000430955463 567042558 /nfs/dbraw/zinc/04/25/58/567042558.db2.gz AKCLQJYQVKHDGE-LLVKDONJSA-N 2 2 382.327 3.362 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000565155957 567043609 /nfs/dbraw/zinc/04/36/09/567043609.db2.gz GTIGKUUTNQJRFU-MLGOLLRUSA-N 2 2 379.291 3.322 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000565155957 567043613 /nfs/dbraw/zinc/04/36/13/567043613.db2.gz GTIGKUUTNQJRFU-MLGOLLRUSA-N 2 2 379.291 3.322 20 0 GGADLP COc1ccc(Br)cc1-c1nc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cs1 ZINC000613553318 567043709 /nfs/dbraw/zinc/04/37/09/567043709.db2.gz YTHURPPJTYOLQG-VXGBXAGGSA-N 2 2 394.338 3.232 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000565155949 567044256 /nfs/dbraw/zinc/04/42/56/567044256.db2.gz GTIGKUUTNQJRFU-BLLLJJGKSA-N 2 2 379.291 3.322 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000565155949 567044262 /nfs/dbraw/zinc/04/42/62/567044262.db2.gz GTIGKUUTNQJRFU-BLLLJJGKSA-N 2 2 379.291 3.322 20 0 GGADLP CC[N@@H+]1CCc2nc(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)sc2C1 ZINC000565156473 567044928 /nfs/dbraw/zinc/04/49/28/567044928.db2.gz IGMJUMZDGNKTJB-INIZCTEOSA-N 2 2 378.929 3.416 20 0 GGADLP CC[N@H+]1CCc2nc(NC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)sc2C1 ZINC000565156473 567044932 /nfs/dbraw/zinc/04/49/32/567044932.db2.gz IGMJUMZDGNKTJB-INIZCTEOSA-N 2 2 378.929 3.416 20 0 GGADLP Brc1ccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CCOCC2)cc1 ZINC000657341210 567048570 /nfs/dbraw/zinc/04/85/70/567048570.db2.gz PIFOVXRRDPHDPG-UHFFFAOYSA-N 2 2 390.325 3.430 20 0 GGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000495181175 567051173 /nfs/dbraw/zinc/05/11/73/567051173.db2.gz CMBPOHXHNLYACV-CRAIPNDOSA-N 2 2 375.314 3.161 20 0 GGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000495181175 567051179 /nfs/dbraw/zinc/05/11/79/567051179.db2.gz CMBPOHXHNLYACV-CRAIPNDOSA-N 2 2 375.314 3.161 20 0 GGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000495181175 567051186 /nfs/dbraw/zinc/05/11/86/567051186.db2.gz CMBPOHXHNLYACV-CRAIPNDOSA-N 2 2 375.314 3.161 20 0 GGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@@H]2C1 ZINC000495181175 567051191 /nfs/dbraw/zinc/05/11/91/567051191.db2.gz CMBPOHXHNLYACV-CRAIPNDOSA-N 2 2 375.314 3.161 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000495185436 567052170 /nfs/dbraw/zinc/05/21/70/567052170.db2.gz VLEOJAXKMYTTLV-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000495185436 567052176 /nfs/dbraw/zinc/05/21/76/567052176.db2.gz VLEOJAXKMYTTLV-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000495185436 567052183 /nfs/dbraw/zinc/05/21/83/567052183.db2.gz VLEOJAXKMYTTLV-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000495185436 567052190 /nfs/dbraw/zinc/05/21/90/567052190.db2.gz VLEOJAXKMYTTLV-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP CCC[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CC[NH2+]CC1 ZINC000431084222 567052648 /nfs/dbraw/zinc/05/26/48/567052648.db2.gz KDLYMQQKQXFUTH-UHFFFAOYSA-N 2 2 375.847 3.344 20 0 GGADLP CCC[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CC[NH2+]CC1 ZINC000431084222 567052651 /nfs/dbraw/zinc/05/26/51/567052651.db2.gz KDLYMQQKQXFUTH-UHFFFAOYSA-N 2 2 375.847 3.344 20 0 GGADLP Cc1c(Br)cncc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000657413670 567054496 /nfs/dbraw/zinc/05/44/96/567054496.db2.gz QFHZLLNXJUCFJN-MRXNPFEDSA-N 2 2 390.329 3.300 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[N@H+](C4CC4)C[C@H]3C)nc12 ZINC000545518589 567057403 /nfs/dbraw/zinc/05/74/03/567057403.db2.gz NTSRZNPDIPGFKC-DYVFJYSZSA-N 2 2 377.330 3.020 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[N@@H+](C4CC4)C[C@H]3C)nc12 ZINC000545518589 567057405 /nfs/dbraw/zinc/05/74/05/567057405.db2.gz NTSRZNPDIPGFKC-DYVFJYSZSA-N 2 2 377.330 3.020 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C4CC4)C3)nc12 ZINC000545517461 567058098 /nfs/dbraw/zinc/05/80/98/567058098.db2.gz QSRMDXDURZPSTQ-XJKSGUPXSA-N 2 2 377.330 3.163 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C4CC4)C3)nc12 ZINC000545517461 567058107 /nfs/dbraw/zinc/05/81/07/567058107.db2.gz QSRMDXDURZPSTQ-XJKSGUPXSA-N 2 2 377.330 3.163 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[C@H](C)[N@@H+](C4CC4)C3)nc12 ZINC000545517238 567058378 /nfs/dbraw/zinc/05/83/78/567058378.db2.gz QSRMDXDURZPSTQ-BBRMVZONSA-N 2 2 377.330 3.163 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3C[C@H](C)[N@H+](C4CC4)C3)nc12 ZINC000545517238 567058388 /nfs/dbraw/zinc/05/83/88/567058388.db2.gz QSRMDXDURZPSTQ-BBRMVZONSA-N 2 2 377.330 3.163 20 0 GGADLP O=C1[C@H]([NH2+]Cc2c[nH+]c3n2CCC3)CCCN1c1ccc(Cl)cc1Cl ZINC000657448965 567058619 /nfs/dbraw/zinc/05/86/19/567058619.db2.gz YIMNKAOZOJIOET-OAHLLOKOSA-N 2 2 379.291 3.421 20 0 GGADLP CC[C@@H]([NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)c1ccn(C)n1 ZINC000545520904 567058773 /nfs/dbraw/zinc/05/87/73/567058773.db2.gz ZQBOTKJWHMOVEQ-OAHLLOKOSA-N 2 2 376.302 3.422 20 0 GGADLP Cc1[nH+]cc(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)n1C ZINC000657472273 567060289 /nfs/dbraw/zinc/06/02/89/567060289.db2.gz LGNTYUPRTHGSCE-GFCCVEGCSA-N 2 2 382.302 3.103 20 0 GGADLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc(Br)cc1OCCCO ZINC000657472261 567060518 /nfs/dbraw/zinc/06/05/18/567060518.db2.gz KZQGOHKANFNTBP-CYBMUJFWSA-N 2 2 394.313 3.204 20 0 GGADLP Cc1cc(N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)nc(C)[nH+]1 ZINC000521480948 567061676 /nfs/dbraw/zinc/06/16/76/567061676.db2.gz BJFYNKCTTWQPME-UHFFFAOYSA-N 2 2 376.258 3.352 20 0 GGADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000453208450 567063270 /nfs/dbraw/zinc/06/32/70/567063270.db2.gz XXHIMUHTVFZINK-JQWIXIFHSA-N 2 2 385.224 3.292 20 0 GGADLP C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000495790544 567066091 /nfs/dbraw/zinc/06/60/91/567066091.db2.gz WNKIFLGXKLXUEB-HNNXBMFYSA-N 2 2 383.989 3.305 20 0 GGADLP C[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000495790544 567066097 /nfs/dbraw/zinc/06/60/97/567066097.db2.gz WNKIFLGXKLXUEB-HNNXBMFYSA-N 2 2 383.989 3.305 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CSCc1ccc(Cl)cc1 ZINC000495787545 567066661 /nfs/dbraw/zinc/06/66/61/567066661.db2.gz FLPVAQKODLCEBB-UHFFFAOYSA-N 2 2 383.989 3.058 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CSCc1ccc(Cl)cc1 ZINC000495787545 567066666 /nfs/dbraw/zinc/06/66/66/567066666.db2.gz FLPVAQKODLCEBB-UHFFFAOYSA-N 2 2 383.989 3.058 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453252832 567067992 /nfs/dbraw/zinc/06/79/92/567067992.db2.gz CJJIDPOVDBNTHY-WMLDXEAASA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000453252832 567067995 /nfs/dbraw/zinc/06/79/95/567067995.db2.gz CJJIDPOVDBNTHY-WMLDXEAASA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453258546 567069294 /nfs/dbraw/zinc/06/92/94/567069294.db2.gz HSVUHCOZSUACHX-DOTOQJQBSA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453258546 567069300 /nfs/dbraw/zinc/06/93/00/567069300.db2.gz HSVUHCOZSUACHX-DOTOQJQBSA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453269097 567071373 /nfs/dbraw/zinc/07/13/73/567071373.db2.gz QZZVOXQXGPDBPX-IEBWSBKVSA-N 2 2 381.358 3.207 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000453269097 567071376 /nfs/dbraw/zinc/07/13/76/567071376.db2.gz QZZVOXQXGPDBPX-IEBWSBKVSA-N 2 2 381.358 3.207 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000545912318 567087001 /nfs/dbraw/zinc/08/70/01/567087001.db2.gz FEYFXWYLOIIXQG-UHFFFAOYSA-N 2 2 387.293 3.095 20 0 GGADLP O[C@@H](C[N@H+](CCCn1cc[nH+]c1)CCc1ccc(Cl)cc1)C(F)(F)F ZINC000565739549 567094325 /nfs/dbraw/zinc/09/43/25/567094325.db2.gz FNJAZSOEIDHFTD-INIZCTEOSA-N 2 2 375.822 3.395 20 0 GGADLP O[C@@H](C[N@@H+](CCCn1cc[nH+]c1)CCc1ccc(Cl)cc1)C(F)(F)F ZINC000565739549 567094328 /nfs/dbraw/zinc/09/43/28/567094328.db2.gz FNJAZSOEIDHFTD-INIZCTEOSA-N 2 2 375.822 3.395 20 0 GGADLP Cc1cc(Br)c(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000453602270 567096880 /nfs/dbraw/zinc/09/68/80/567096880.db2.gz SQTPOQKQXQRPFH-ZDUSSCGKSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(Br)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000453602270 567096884 /nfs/dbraw/zinc/09/68/84/567096884.db2.gz SQTPOQKQXQRPFH-ZDUSSCGKSA-N 2 2 386.403 3.419 20 0 GGADLP Cc1cc(Br)cnc1N1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000522046080 567097168 /nfs/dbraw/zinc/09/71/68/567097168.db2.gz WLKPBWQICWWOPN-UHFFFAOYSA-N 2 2 381.362 3.147 20 0 GGADLP O=C(CC[NH2+]CCCNc1cccc[nH+]1)Nc1cccc(Br)c1 ZINC000565828581 567102469 /nfs/dbraw/zinc/10/24/69/567102469.db2.gz ALYWFQFEXNCPRG-UHFFFAOYSA-N 2 2 377.286 3.265 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)[NH+]3CCCCCC3)[nH+]c12 ZINC000546112139 567105693 /nfs/dbraw/zinc/10/56/93/567105693.db2.gz JGZFMFMPASBSBK-CQSZACIVSA-N 2 2 393.329 3.286 20 0 GGADLP COc1ccc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)c(Br)c1O ZINC000546175364 567112859 /nfs/dbraw/zinc/11/28/59/567112859.db2.gz WGXQRDUYGRTXEJ-ZDUSSCGKSA-N 2 2 380.286 3.335 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000565959885 567114240 /nfs/dbraw/zinc/11/42/40/567114240.db2.gz TXLADTDDYRWNFH-CQSZACIVSA-N 2 2 384.351 3.414 20 0 GGADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294879 567133149 /nfs/dbraw/zinc/13/31/49/567133149.db2.gz PSYBYSGOCBGWQD-KBXCAEBGSA-N 2 2 383.305 3.418 20 0 GGADLP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294274 567133566 /nfs/dbraw/zinc/13/35/66/567133566.db2.gz MLYSSBGDCRGWFG-CXAGYDPISA-N 2 2 383.305 3.418 20 0 GGADLP C[NH+]1CCC([N@H+](CCO)Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474108167 567135202 /nfs/dbraw/zinc/13/52/02/567135202.db2.gz VCMNFIHLAWNSFV-UHFFFAOYSA-N 2 2 395.263 3.356 20 0 GGADLP C[NH+]1CCC([N@@H+](CCO)Cc2ccc(Br)cc2C(F)(F)F)CC1 ZINC000474108167 567135205 /nfs/dbraw/zinc/13/52/05/567135205.db2.gz VCMNFIHLAWNSFV-UHFFFAOYSA-N 2 2 395.263 3.356 20 0 GGADLP CC[N@@H+](Cc1ccccc1Br)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000566245186 567141835 /nfs/dbraw/zinc/14/18/35/567141835.db2.gz KBRZATOYYCNLSD-OALUTQOASA-N 2 2 377.326 3.202 20 0 GGADLP CC[N@H+](Cc1ccccc1Br)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000566245186 567141841 /nfs/dbraw/zinc/14/18/41/567141841.db2.gz KBRZATOYYCNLSD-OALUTQOASA-N 2 2 377.326 3.202 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnc(N(C)C)s3)[nH+]c12 ZINC000546765022 567155997 /nfs/dbraw/zinc/15/59/97/567155997.db2.gz JRZZVNRIQLUEEH-UHFFFAOYSA-N 2 2 394.342 3.260 20 0 GGADLP [NH3+][C@H](CC(F)F)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000498213318 567159294 /nfs/dbraw/zinc/15/92/94/567159294.db2.gz WTHXVWHVASIZMF-CQSZACIVSA-N 2 2 380.266 3.057 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000523670715 567165569 /nfs/dbraw/zinc/16/55/69/567165569.db2.gz RNCWDTSFJMXIDI-AWEZNQCLSA-N 2 2 382.346 3.358 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(Br)c1 ZINC000589206251 567166841 /nfs/dbraw/zinc/16/68/41/567166841.db2.gz CKXHUFILCMKJTM-NVXWUHKLSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(Br)c1 ZINC000589206251 567166842 /nfs/dbraw/zinc/16/68/42/567166842.db2.gz CKXHUFILCMKJTM-NVXWUHKLSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000589206251 567166843 /nfs/dbraw/zinc/16/68/43/567166843.db2.gz CKXHUFILCMKJTM-NVXWUHKLSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(Br)c1 ZINC000589206251 567166858 /nfs/dbraw/zinc/16/68/58/567166858.db2.gz CKXHUFILCMKJTM-NVXWUHKLSA-N 2 2 381.314 3.152 20 0 GGADLP CCCC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000566590473 567169269 /nfs/dbraw/zinc/16/92/69/567169269.db2.gz YZSGFGGWGRMQBE-UHFFFAOYSA-N 2 2 392.345 3.384 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@@H](C)C1 ZINC000546932655 567172274 /nfs/dbraw/zinc/17/22/74/567172274.db2.gz XMPGCCCAXSSLQE-WMLDXEAASA-N 3 2 379.346 3.268 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@@H](C)C1 ZINC000546932655 567172277 /nfs/dbraw/zinc/17/22/77/567172277.db2.gz XMPGCCCAXSSLQE-WMLDXEAASA-N 3 2 379.346 3.268 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000474462841 567174377 /nfs/dbraw/zinc/17/43/77/567174377.db2.gz VMTRLKMDKMGTCL-SNVBAGLBSA-N 2 2 392.231 3.143 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000474462841 567174383 /nfs/dbraw/zinc/17/43/83/567174383.db2.gz VMTRLKMDKMGTCL-SNVBAGLBSA-N 2 2 392.231 3.143 20 0 GGADLP C[NH+](C)CC(C)(C)C[NH2+]Cc1c(F)ccc(I)c1F ZINC000474465175 567175224 /nfs/dbraw/zinc/17/52/24/567175224.db2.gz APGCMWHMBAKSRX-UHFFFAOYSA-N 2 2 382.236 3.247 20 0 GGADLP O[C@@H](C[NH2+]Cc1ccc(Br)cc1C(F)(F)F)C[NH+]1CCCC1 ZINC000474626102 567184072 /nfs/dbraw/zinc/18/40/72/567184072.db2.gz BQBRHJRIYLKOJR-ZDUSSCGKSA-N 2 2 381.236 3.014 20 0 GGADLP C[NH2+][C@@H](C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1Cl ZINC000659315184 567203793 /nfs/dbraw/zinc/20/37/93/567203793.db2.gz YCPKHYFHEGEOGP-SJKOYZFVSA-N 2 2 379.291 3.044 20 0 GGADLP C[NH2+][C@@H](C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1cccc(Cl)c1Cl ZINC000659315186 567203809 /nfs/dbraw/zinc/20/38/09/567203809.db2.gz YCPKHYFHEGEOGP-YVEFUNNKSA-N 2 2 379.291 3.044 20 0 GGADLP Cc1cc(N2CCN(c3cc[nH+]cc3Br)CC2)nc(C(C)C)[nH+]1 ZINC000547361246 567204700 /nfs/dbraw/zinc/20/47/00/567204700.db2.gz FUPNAXRPFIHSHA-UHFFFAOYSA-N 2 2 376.302 3.393 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3c(Cl)cccc3Cl)C2)CC1 ZINC000524750873 567210943 /nfs/dbraw/zinc/21/09/43/567210943.db2.gz BQEXKFIEIMRVIY-MRXNPFEDSA-N 2 2 386.367 3.473 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3c(Cl)cccc3Cl)C2)CC1 ZINC000524750873 567210954 /nfs/dbraw/zinc/21/09/54/567210954.db2.gz BQEXKFIEIMRVIY-MRXNPFEDSA-N 2 2 386.367 3.473 20 0 GGADLP O[C@]1(C[NH2+]Cc2cc(Br)ccc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000524948164 567222394 /nfs/dbraw/zinc/22/23/94/567222394.db2.gz WNNFNWUYBYQIMD-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP O[C@]1(C[NH2+]Cc2cc(Br)ccc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000524948164 567222397 /nfs/dbraw/zinc/22/23/97/567222397.db2.gz WNNFNWUYBYQIMD-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP FC(F)(F)COc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000659851039 567233268 /nfs/dbraw/zinc/23/32/68/567233268.db2.gz XXGLKNRJZPNBEP-RYUDHWBXSA-N 2 2 379.220 3.041 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000525196076 567233691 /nfs/dbraw/zinc/23/36/91/567233691.db2.gz WMRXHEHGBAUOPD-RHSMWYFYSA-N 2 2 385.346 3.437 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000525196076 567233696 /nfs/dbraw/zinc/23/36/96/567233696.db2.gz WMRXHEHGBAUOPD-RHSMWYFYSA-N 2 2 385.346 3.437 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525196078 567234575 /nfs/dbraw/zinc/23/45/75/567234575.db2.gz WMRXHEHGBAUOPD-YOEHRIQHSA-N 2 2 385.346 3.437 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000525196078 567234581 /nfs/dbraw/zinc/23/45/81/567234581.db2.gz WMRXHEHGBAUOPD-YOEHRIQHSA-N 2 2 385.346 3.437 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000659998574 567245528 /nfs/dbraw/zinc/24/55/28/567245528.db2.gz IQUJVWICOUAXSI-UHFFFAOYSA-N 2 2 388.269 3.042 20 0 GGADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)c1c[nH]c2ncc(Br)cc12 ZINC000659998671 567246171 /nfs/dbraw/zinc/24/61/71/567246171.db2.gz JSTZJUXOODKAKF-UHFFFAOYSA-N 2 2 388.269 3.111 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(Br)s2)CC[N@H+](Cc2ccccc2)C1 ZINC000525461456 567249905 /nfs/dbraw/zinc/24/99/05/567249905.db2.gz VJGAJAXUPJWYIW-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(Br)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000525461456 567249911 /nfs/dbraw/zinc/24/99/11/567249911.db2.gz VJGAJAXUPJWYIW-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP Brc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2c1OCO2 ZINC000567499650 567251781 /nfs/dbraw/zinc/25/17/81/567251781.db2.gz JZMBCVQLJQTWHD-CQSZACIVSA-N 2 2 377.238 3.226 20 0 GGADLP Brc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc2c1OCO2 ZINC000567499650 567251791 /nfs/dbraw/zinc/25/17/91/567251791.db2.gz JZMBCVQLJQTWHD-CQSZACIVSA-N 2 2 377.238 3.226 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C1 ZINC000660081103 567258535 /nfs/dbraw/zinc/25/85/35/567258535.db2.gz CVRQZSIMDACJLG-LRDDRELGSA-N 2 2 393.329 3.170 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C1 ZINC000660081103 567258540 /nfs/dbraw/zinc/25/85/40/567258540.db2.gz CVRQZSIMDACJLG-LRDDRELGSA-N 2 2 393.329 3.170 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)c2c[nH]c3ncc(Br)cc23)[C@@H](C)C1 ZINC000660081103 567258553 /nfs/dbraw/zinc/25/85/53/567258553.db2.gz CVRQZSIMDACJLG-LRDDRELGSA-N 2 2 393.329 3.170 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660077363 567258969 /nfs/dbraw/zinc/25/89/69/567258969.db2.gz ONKDCAHHPWCAHU-NSHDSACASA-N 2 2 388.269 3.111 20 0 GGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1c[nH]c2ncc(Br)cc12 ZINC000660077363 567258972 /nfs/dbraw/zinc/25/89/72/567258972.db2.gz ONKDCAHHPWCAHU-NSHDSACASA-N 2 2 388.269 3.111 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1F ZINC000591083123 567263778 /nfs/dbraw/zinc/26/37/78/567263778.db2.gz OZFGIHPDBQRQOD-ZDUSSCGKSA-N 2 2 381.249 3.060 20 0 GGADLP O=C(C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1F ZINC000591083123 567263787 /nfs/dbraw/zinc/26/37/87/567263787.db2.gz OZFGIHPDBQRQOD-ZDUSSCGKSA-N 2 2 381.249 3.060 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000591083194 567265156 /nfs/dbraw/zinc/26/51/56/567265156.db2.gz QTLYORKLYRRBFP-PBHICJAKSA-N 2 2 391.313 3.160 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000591083194 567265160 /nfs/dbraw/zinc/26/51/60/567265160.db2.gz QTLYORKLYRRBFP-PBHICJAKSA-N 2 2 391.313 3.160 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000567679744 567267135 /nfs/dbraw/zinc/26/71/35/567267135.db2.gz DYFFADJJGQSEAX-WHCBVINPSA-N 2 2 385.371 3.277 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000567679744 567267140 /nfs/dbraw/zinc/26/71/40/567267140.db2.gz DYFFADJJGQSEAX-WHCBVINPSA-N 2 2 385.371 3.277 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000567679743 567267168 /nfs/dbraw/zinc/26/71/68/567267168.db2.gz DYFFADJJGQSEAX-JDSLSITLSA-N 2 2 385.371 3.277 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000567679743 567267172 /nfs/dbraw/zinc/26/71/72/567267172.db2.gz DYFFADJJGQSEAX-JDSLSITLSA-N 2 2 385.371 3.277 20 0 GGADLP O[C@@H](C[NH2+]Cc1c(Cl)cccc1-n1cc[nH+]c1)COCc1cccs1 ZINC000567697198 567268658 /nfs/dbraw/zinc/26/86/58/567268658.db2.gz ROUWVMLNHZWJKB-AWEZNQCLSA-N 2 2 377.897 3.255 20 0 GGADLP COc1ccc(Br)c(CN(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000685457675 567275274 /nfs/dbraw/zinc/27/52/74/567275274.db2.gz IYITXNMUYKEADS-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(Br)c(CN(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000685457675 567275279 /nfs/dbraw/zinc/27/52/79/567275279.db2.gz IYITXNMUYKEADS-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP CC[NH+]1CCN(Cc2ccc(CNc3cc[nH+]cc3Br)cc2)CC1 ZINC000548154022 567284140 /nfs/dbraw/zinc/28/41/40/567284140.db2.gz KIBRZHYLZJVDHT-UHFFFAOYSA-N 2 2 389.341 3.016 20 0 GGADLP CCN1CC[NH+](Cc2ccc(CNc3cc[nH+]cc3Br)cc2)CC1 ZINC000548154022 567284144 /nfs/dbraw/zinc/28/41/44/567284144.db2.gz KIBRZHYLZJVDHT-UHFFFAOYSA-N 2 2 389.341 3.016 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1c(Cl)cccc1Cl ZINC000591582127 567287232 /nfs/dbraw/zinc/28/72/32/567287232.db2.gz ZTRLXXDHZDNBGZ-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1c(Cl)cccc1Cl ZINC000591582127 567287236 /nfs/dbraw/zinc/28/72/36/567287236.db2.gz ZTRLXXDHZDNBGZ-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc(F)c(F)cc2Br)CC1 ZINC000639162637 567292540 /nfs/dbraw/zinc/29/25/40/567292540.db2.gz CRUYMFCAVVDQBJ-UHFFFAOYSA-N 2 2 377.273 3.052 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000526980094 567303424 /nfs/dbraw/zinc/30/34/24/567303424.db2.gz OHYDUVZLGAMAQM-UHFFFAOYSA-N 2 2 391.203 3.336 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654966 567317422 /nfs/dbraw/zinc/31/74/22/567317422.db2.gz DMNFDBNDRJSDDQ-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654966 567317427 /nfs/dbraw/zinc/31/74/27/567317427.db2.gz DMNFDBNDRJSDDQ-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654966 567317434 /nfs/dbraw/zinc/31/74/34/567317434.db2.gz DMNFDBNDRJSDDQ-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660654966 567317439 /nfs/dbraw/zinc/31/74/39/567317439.db2.gz DMNFDBNDRJSDDQ-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657278 567317679 /nfs/dbraw/zinc/31/76/79/567317679.db2.gz OYNYKXABXGEKIL-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660657278 567317685 /nfs/dbraw/zinc/31/76/85/567317685.db2.gz OYNYKXABXGEKIL-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660657278 567317692 /nfs/dbraw/zinc/31/76/92/567317692.db2.gz OYNYKXABXGEKIL-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660657278 567317695 /nfs/dbraw/zinc/31/76/95/567317695.db2.gz OYNYKXABXGEKIL-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3Br)CC2)cc(OC)c1 ZINC000548481464 567318301 /nfs/dbraw/zinc/31/83/01/567318301.db2.gz PFOOTICHEJVIGC-UHFFFAOYSA-N 2 2 392.297 3.184 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000568512156 567334780 /nfs/dbraw/zinc/33/47/80/567334780.db2.gz ITKWRWXPIXKMJW-HNNXBMFYSA-N 2 2 380.330 3.018 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000527518356 567340678 /nfs/dbraw/zinc/34/06/78/567340678.db2.gz PALXMGYWWAFZNW-JTQLQIEISA-N 2 2 380.220 3.001 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000527518356 567340684 /nfs/dbraw/zinc/34/06/84/567340684.db2.gz PALXMGYWWAFZNW-JTQLQIEISA-N 2 2 380.220 3.001 20 0 GGADLP Brc1ccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435369673 567357764 /nfs/dbraw/zinc/35/77/64/567357764.db2.gz FXSGWRMRRXAQMB-GOSISDBHSA-N 2 2 375.314 3.383 20 0 GGADLP Brc1ccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435369673 567357769 /nfs/dbraw/zinc/35/77/69/567357769.db2.gz FXSGWRMRRXAQMB-GOSISDBHSA-N 2 2 375.314 3.383 20 0 GGADLP C[NH2+]C1CC[NH+](Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000435369073 567358025 /nfs/dbraw/zinc/35/80/25/567358025.db2.gz KGCLGYIEZMERMA-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GGADLP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435386118 567359556 /nfs/dbraw/zinc/35/95/56/567359556.db2.gz SVWMOJFORBIRSL-HNNXBMFYSA-N 2 2 390.325 3.464 20 0 GGADLP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435386118 567359561 /nfs/dbraw/zinc/35/95/61/567359561.db2.gz SVWMOJFORBIRSL-HNNXBMFYSA-N 2 2 390.325 3.464 20 0 GGADLP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435391321 567359966 /nfs/dbraw/zinc/35/99/66/567359966.db2.gz WBVDSGVPXNERSY-CQSZACIVSA-N 2 2 376.298 3.204 20 0 GGADLP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000435391321 567359972 /nfs/dbraw/zinc/35/99/72/567359972.db2.gz WBVDSGVPXNERSY-CQSZACIVSA-N 2 2 376.298 3.204 20 0 GGADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ncc(Br)cc3F)[nH+]c2)C1 ZINC000527681920 567361668 /nfs/dbraw/zinc/36/16/68/567361668.db2.gz PVANEJRDUJCWLB-CQSZACIVSA-N 2 2 394.292 3.131 20 0 GGADLP Brc1cncc(C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435428418 567363395 /nfs/dbraw/zinc/36/33/95/567363395.db2.gz QSMYKBTYXUCFGT-OAHLLOKOSA-N 2 2 393.354 3.445 20 0 GGADLP Brc1cncc(C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435428418 567363399 /nfs/dbraw/zinc/36/33/99/567363399.db2.gz QSMYKBTYXUCFGT-OAHLLOKOSA-N 2 2 393.354 3.445 20 0 GGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c(F)ccc(Br)c2F)C[C@H](C)O1 ZINC000501419078 567386707 /nfs/dbraw/zinc/38/67/07/567386707.db2.gz FKQILXGXDBSFAO-TXEJJXNPSA-N 2 2 377.273 3.316 20 0 GGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2c(F)ccc(Br)c2F)C[C@H](C)O1 ZINC000501419078 567386715 /nfs/dbraw/zinc/38/67/15/567386715.db2.gz FKQILXGXDBSFAO-TXEJJXNPSA-N 2 2 377.273 3.316 20 0 GGADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000569217975 567388202 /nfs/dbraw/zinc/38/82/02/567388202.db2.gz PEYNZUAGXHFOAD-YJBOKZPZSA-N 2 2 386.323 3.150 20 0 GGADLP C[NH+]1CCN(c2ccc(NCc3c(F)ccc(Br)c3F)[nH+]c2)CC1 ZINC000501468721 567391256 /nfs/dbraw/zinc/39/12/56/567391256.db2.gz RYOSEGIYAQLLGN-UHFFFAOYSA-N 2 2 397.267 3.486 20 0 GGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469673 567391351 /nfs/dbraw/zinc/39/13/51/567391351.db2.gz WDAVZAHIQUMOMU-IINYFYTJSA-N 2 2 378.685 3.374 20 0 GGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469673 567391357 /nfs/dbraw/zinc/39/13/57/567391357.db2.gz WDAVZAHIQUMOMU-IINYFYTJSA-N 2 2 378.685 3.374 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000456661777 567399311 /nfs/dbraw/zinc/39/93/11/567399311.db2.gz JZRSGTYQHBBDQF-UHFFFAOYSA-N 2 2 380.290 3.259 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549840604 567413120 /nfs/dbraw/zinc/41/31/20/567413120.db2.gz LDFAWDOPDZSITH-SFHVURJKSA-N 2 2 377.330 3.254 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000549840604 567413126 /nfs/dbraw/zinc/41/31/26/567413126.db2.gz LDFAWDOPDZSITH-SFHVURJKSA-N 2 2 377.330 3.254 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000549840604 567413127 /nfs/dbraw/zinc/41/31/27/567413127.db2.gz LDFAWDOPDZSITH-SFHVURJKSA-N 2 2 377.330 3.254 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000549840604 567413132 /nfs/dbraw/zinc/41/31/32/567413132.db2.gz LDFAWDOPDZSITH-SFHVURJKSA-N 2 2 377.330 3.254 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000569577382 567415691 /nfs/dbraw/zinc/41/56/91/567415691.db2.gz NFOZQNYTIQTZBY-GRYCIOLGSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000569577382 567415696 /nfs/dbraw/zinc/41/56/96/567415696.db2.gz NFOZQNYTIQTZBY-GRYCIOLGSA-N 2 2 375.822 3.227 20 0 GGADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000549913488 567417565 /nfs/dbraw/zinc/41/75/65/567417565.db2.gz PKUKICUGTSQAMB-LJQANCHMSA-N 2 2 389.337 3.266 20 0 GGADLP Cc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(Br)c1 ZINC000549913488 567417567 /nfs/dbraw/zinc/41/75/67/567417567.db2.gz PKUKICUGTSQAMB-LJQANCHMSA-N 2 2 389.337 3.266 20 0 GGADLP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Br)c(F)c2F)CC1 ZINC000528380666 567418551 /nfs/dbraw/zinc/41/85/51/567418551.db2.gz NVDPFBHGFXJHSE-UHFFFAOYSA-N 2 2 377.273 3.270 20 0 GGADLP COc1ccc(C[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)cn1 ZINC000436402236 567422237 /nfs/dbraw/zinc/42/22/37/567422237.db2.gz UWHAQJXZHGRANC-UHFFFAOYSA-N 2 2 375.270 3.141 20 0 GGADLP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662244689 567422399 /nfs/dbraw/zinc/42/23/99/567422399.db2.gz FLMGNXFHATXRKG-LLVKDONJSA-N 2 2 381.236 3.432 20 0 GGADLP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2Br)C1 ZINC000662244689 567422405 /nfs/dbraw/zinc/42/24/05/567422405.db2.gz FLMGNXFHATXRKG-LLVKDONJSA-N 2 2 381.236 3.432 20 0 GGADLP CCCCCOc1ccc(Br)cc1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286999 567423554 /nfs/dbraw/zinc/42/35/54/567423554.db2.gz PCDSPFRDMYYRBT-UHFFFAOYSA-N 2 2 385.346 3.222 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)c(Br)c1 ZINC000662290082 567424541 /nfs/dbraw/zinc/42/45/41/567424541.db2.gz ILXARHSYCVZXOK-INIZCTEOSA-N 2 2 394.357 3.408 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)c(Br)c1 ZINC000662290083 567424789 /nfs/dbraw/zinc/42/47/89/567424789.db2.gz ILXARHSYCVZXOK-MRXNPFEDSA-N 2 2 394.357 3.408 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238876 567435539 /nfs/dbraw/zinc/43/55/39/567435539.db2.gz NYCLIRPBXYDMDC-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238876 567435548 /nfs/dbraw/zinc/43/55/48/567435548.db2.gz NYCLIRPBXYDMDC-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238876 567435552 /nfs/dbraw/zinc/43/55/52/567435552.db2.gz NYCLIRPBXYDMDC-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238876 567435556 /nfs/dbraw/zinc/43/55/56/567435556.db2.gz NYCLIRPBXYDMDC-KDOFPFPSSA-N 2 2 380.330 3.194 20 0 GGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000593727016 567437938 /nfs/dbraw/zinc/43/79/38/567437938.db2.gz ADZWOQIYHRCLPB-ZDUSSCGKSA-N 2 2 378.685 3.422 20 0 GGADLP C[NH+](C)CCC[N@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000570008745 567451047 /nfs/dbraw/zinc/45/10/47/567451047.db2.gz HHPNBEYYJDQNKR-UHFFFAOYSA-N 2 2 379.140 3.177 20 0 GGADLP C[NH+](C)CCC[N@@H+](C)Cc1cc(Br)cc(Br)c1N ZINC000570008745 567451054 /nfs/dbraw/zinc/45/10/54/567451054.db2.gz HHPNBEYYJDQNKR-UHFFFAOYSA-N 2 2 379.140 3.177 20 0 GGADLP C[NH+](C)Cc1csc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000457313220 567456359 /nfs/dbraw/zinc/45/63/59/567456359.db2.gz MFICYCQDAAHKAX-VXGBXAGGSA-N 2 2 378.464 3.052 20 0 GGADLP C[NH+](C)Cc1csc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)n1 ZINC000457313220 567456365 /nfs/dbraw/zinc/45/63/65/567456365.db2.gz MFICYCQDAAHKAX-VXGBXAGGSA-N 2 2 378.464 3.052 20 0 GGADLP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000503055851 567466572 /nfs/dbraw/zinc/46/65/72/567466572.db2.gz YHVPMRXVKYHACI-MRXNPFEDSA-N 2 2 384.337 3.190 20 0 GGADLP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(Cc2ccc(Br)c(F)c2)CC1 ZINC000503055851 567466578 /nfs/dbraw/zinc/46/65/78/567466578.db2.gz YHVPMRXVKYHACI-MRXNPFEDSA-N 2 2 384.337 3.190 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1 ZINC000662884824 567468969 /nfs/dbraw/zinc/46/89/69/567468969.db2.gz ZCZJXVCBPHREBB-FUHWJXTLSA-N 2 2 377.941 3.155 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000663304425 567495217 /nfs/dbraw/zinc/49/52/17/567495217.db2.gz QPSMLKMGQSKHJQ-DOMZBBRYSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000663304426 567495494 /nfs/dbraw/zinc/49/54/94/567495494.db2.gz QPSMLKMGQSKHJQ-IUODEOHRSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@H]2C[N@H+](C)CCN2C)C1 ZINC000479059945 567498967 /nfs/dbraw/zinc/49/89/67/567498967.db2.gz MAVQRHIPZAGQQQ-DKSSEZFCSA-N 2 2 380.374 3.298 20 0 GGADLP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000479059945 567498974 /nfs/dbraw/zinc/49/89/74/567498974.db2.gz MAVQRHIPZAGQQQ-DKSSEZFCSA-N 2 2 380.374 3.298 20 0 GGADLP Brc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)OCO2 ZINC000663346695 567498984 /nfs/dbraw/zinc/49/89/84/567498984.db2.gz CYIULZXQZACPFM-AWEZNQCLSA-N 2 2 381.314 3.389 20 0 GGADLP Brc1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)OCO2 ZINC000663346695 567498989 /nfs/dbraw/zinc/49/89/89/567498989.db2.gz CYIULZXQZACPFM-AWEZNQCLSA-N 2 2 381.314 3.389 20 0 GGADLP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c2cc(Br)ccc21 ZINC000479084492 567501636 /nfs/dbraw/zinc/50/16/36/567501636.db2.gz YEYFKIATFSJKGO-SJORKVTESA-N 2 2 394.357 3.101 20 0 GGADLP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c2cc(Br)ccc21 ZINC000479084492 567501643 /nfs/dbraw/zinc/50/16/43/567501643.db2.gz YEYFKIATFSJKGO-SJORKVTESA-N 2 2 394.357 3.101 20 0 GGADLP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c2cc(Br)ccc21 ZINC000479084490 567502002 /nfs/dbraw/zinc/50/20/02/567502002.db2.gz YEYFKIATFSJKGO-IAGOWNOFSA-N 2 2 394.357 3.101 20 0 GGADLP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c2cc(Br)ccc21 ZINC000479084490 567502008 /nfs/dbraw/zinc/50/20/08/567502008.db2.gz YEYFKIATFSJKGO-IAGOWNOFSA-N 2 2 394.357 3.101 20 0 GGADLP Cc1nc(NC2CC[NH+](Cc3ccncc3)CC2)c(Br)c(C)[nH+]1 ZINC000663395307 567503392 /nfs/dbraw/zinc/50/33/92/567503392.db2.gz ICXPKWZAQXWYGB-UHFFFAOYSA-N 2 2 376.302 3.327 20 0 GGADLP CC[NH+]1CCN(CCNc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000663397442 567503464 /nfs/dbraw/zinc/50/34/64/567503464.db2.gz JVJYWZCCSWOGRQ-UHFFFAOYSA-N 2 2 381.293 3.186 20 0 GGADLP Cc1nc(NCc2cccc(C[NH+]3CCOCC3)c2)c(Br)c(C)[nH+]1 ZINC000663393626 567504131 /nfs/dbraw/zinc/50/41/31/567504131.db2.gz HPSWUSCHDQLDGA-UHFFFAOYSA-N 2 2 391.313 3.300 20 0 GGADLP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000643538880 567511299 /nfs/dbraw/zinc/51/12/99/567511299.db2.gz YTCGKTBNFIDDJD-DLOVCJGASA-N 2 2 381.801 3.366 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@@H](C)C[NH2+]C)cc1Br ZINC000663507197 567511788 /nfs/dbraw/zinc/51/17/88/567511788.db2.gz LKJWMVIDBBMURC-VIFPVBQESA-N 2 2 380.124 3.308 20 0 GGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806719 567515706 /nfs/dbraw/zinc/51/57/06/567515706.db2.gz OSLXCDRKIXKGRR-KSSFIOAISA-N 2 2 377.330 3.407 20 0 GGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806719 567515708 /nfs/dbraw/zinc/51/57/08/567515708.db2.gz OSLXCDRKIXKGRR-KSSFIOAISA-N 2 2 377.330 3.407 20 0 GGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806719 567515710 /nfs/dbraw/zinc/51/57/10/567515710.db2.gz OSLXCDRKIXKGRR-KSSFIOAISA-N 2 2 377.330 3.407 20 0 GGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806719 567515711 /nfs/dbraw/zinc/51/57/11/567515711.db2.gz OSLXCDRKIXKGRR-KSSFIOAISA-N 2 2 377.330 3.407 20 0 GGADLP Cc1cc(N2CCC(Nc3nc(C)[nH+]c(C)c3Br)CC2)nc(C)[nH+]1 ZINC000663695157 567522996 /nfs/dbraw/zinc/52/29/96/567522996.db2.gz JYCCZORMQRUUKV-UHFFFAOYSA-N 2 2 391.317 3.344 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000479329798 567524924 /nfs/dbraw/zinc/52/49/24/567524924.db2.gz VWNDAADDIHNDLZ-LLVKDONJSA-N 2 2 394.368 3.166 20 0 GGADLP COc1ccc(C[C@](C)([NH3+])CNc2nc(C)[nH+]c(C)c2Br)cc1 ZINC000663738380 567525430 /nfs/dbraw/zinc/52/54/30/567525430.db2.gz FUJQNZRNDIRLIK-KRWDZBQOSA-N 2 2 379.302 3.237 20 0 GGADLP Cc1nc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(Br)c(C)[nH+]1 ZINC000663725896 567525526 /nfs/dbraw/zinc/52/55/26/567525526.db2.gz FSYIWGVRPXPJQU-LSDHHAIUSA-N 2 2 383.334 3.036 20 0 GGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479340204 567526293 /nfs/dbraw/zinc/52/62/93/567526293.db2.gz CENOMYIUKWTPRI-VXGBXAGGSA-N 2 2 394.368 3.023 20 0 GGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479340204 567526296 /nfs/dbraw/zinc/52/62/96/567526296.db2.gz CENOMYIUKWTPRI-VXGBXAGGSA-N 2 2 394.368 3.023 20 0 GGADLP C[C@H](C[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000479358507 567527709 /nfs/dbraw/zinc/52/77/09/567527709.db2.gz JFGRJHZSFCVZEZ-NEPJUHHUSA-N 2 2 394.368 3.023 20 0 GGADLP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000479354821 567527972 /nfs/dbraw/zinc/52/79/72/567527972.db2.gz BZGOXNSCEQIYCZ-LLVKDONJSA-N 2 2 382.357 3.023 20 0 GGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529587065 567534002 /nfs/dbraw/zinc/53/40/02/567534002.db2.gz URHILCAICBCNEA-MRXNPFEDSA-N 2 2 381.343 3.428 20 0 GGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529587065 567534008 /nfs/dbraw/zinc/53/40/08/567534008.db2.gz URHILCAICBCNEA-MRXNPFEDSA-N 2 2 381.343 3.428 20 0 GGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529587065 567534012 /nfs/dbraw/zinc/53/40/12/567534012.db2.gz URHILCAICBCNEA-MRXNPFEDSA-N 2 2 381.343 3.428 20 0 GGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)C2)C1 ZINC000529587065 567534016 /nfs/dbraw/zinc/53/40/16/567534016.db2.gz URHILCAICBCNEA-MRXNPFEDSA-N 2 2 381.343 3.428 20 0 GGADLP CC(C)[N@H+](C)CCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504400121 567534345 /nfs/dbraw/zinc/53/43/45/567534345.db2.gz WMJCMOCZKZPJHR-SFHVURJKSA-N 2 2 396.373 3.433 20 0 GGADLP CC(C)[N@@H+](C)CCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000504400121 567534350 /nfs/dbraw/zinc/53/43/50/567534350.db2.gz WMJCMOCZKZPJHR-SFHVURJKSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)C[NH+]1CCCCC1 ZINC000571091925 567535584 /nfs/dbraw/zinc/53/55/84/567535584.db2.gz IFCHTZXHEYEFSA-HNNXBMFYSA-N 2 2 392.345 3.241 20 0 GGADLP Ic1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000595031921 567537050 /nfs/dbraw/zinc/53/70/50/567537050.db2.gz FDPJDKLEPGJYAN-HIFRSBDPSA-N 2 2 379.245 3.080 20 0 GGADLP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000504873694 567550596 /nfs/dbraw/zinc/55/05/96/567550596.db2.gz XQDQNUBCRQWKLB-MRXNPFEDSA-N 2 2 395.345 3.231 20 0 GGADLP COC(=O)[C@@H](c1ccccc1Br)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000595295701 567551903 /nfs/dbraw/zinc/55/19/03/567551903.db2.gz PNSFYQDSDWIFSM-QGZVFWFLSA-N 2 2 383.330 3.327 20 0 GGADLP O=C(CC[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccc(Br)cc1 ZINC000664209802 567557329 /nfs/dbraw/zinc/55/73/29/567557329.db2.gz RDFZGZYZVKCZFX-QGZVFWFLSA-N 2 2 390.281 3.326 20 0 GGADLP O=C(CC[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1)Nc1ccc(Br)cc1 ZINC000664209802 567557335 /nfs/dbraw/zinc/55/73/35/567557335.db2.gz RDFZGZYZVKCZFX-QGZVFWFLSA-N 2 2 390.281 3.326 20 0 GGADLP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000505370876 567572963 /nfs/dbraw/zinc/57/29/63/567572963.db2.gz RVNHUXUBQDCYSB-RHSMWYFYSA-N 2 2 382.346 3.042 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC000505422051 567575523 /nfs/dbraw/zinc/57/55/23/567575523.db2.gz PCSIUJICUZHFEM-SFHVURJKSA-N 2 2 396.373 3.385 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000505422051 567575526 /nfs/dbraw/zinc/57/55/26/567575526.db2.gz PCSIUJICUZHFEM-SFHVURJKSA-N 2 2 396.373 3.385 20 0 GGADLP CCOC(=O)c1c[nH+]ccc1NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000480109420 567581778 /nfs/dbraw/zinc/58/17/78/567581778.db2.gz ZDKKSSDINNEBIU-UHFFFAOYSA-N 2 2 389.253 3.011 20 0 GGADLP COC(=O)[C@H](c1ccccc1Br)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000595895583 567589927 /nfs/dbraw/zinc/58/99/27/567589927.db2.gz PQLNKROWVDESLC-SJORKVTESA-N 2 2 381.314 3.127 20 0 GGADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(Br)o2)c2ccccc2)CC1 ZINC000530411705 567599823 /nfs/dbraw/zinc/59/98/23/567599823.db2.gz IWQPAALASMZMKY-QGZVFWFLSA-N 2 2 378.314 3.120 20 0 GGADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000572012218 567607258 /nfs/dbraw/zinc/60/72/58/567607258.db2.gz UIWVVWUEFKCZRW-OAHLLOKOSA-N 2 2 375.340 3.287 20 0 GGADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000572012218 567607266 /nfs/dbraw/zinc/60/72/66/567607266.db2.gz UIWVVWUEFKCZRW-OAHLLOKOSA-N 2 2 375.340 3.287 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3)C2)CC1 ZINC000459346976 567616394 /nfs/dbraw/zinc/61/63/94/567616394.db2.gz LBHJHUHRKNLPMW-KRWDZBQOSA-N 2 2 386.765 3.314 20 0 GGADLP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000645271244 567616598 /nfs/dbraw/zinc/61/65/98/567616598.db2.gz FSUSTPZAEDEURM-MSOLQXFVSA-N 2 2 381.358 3.301 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000645271244 567616601 /nfs/dbraw/zinc/61/66/01/567616601.db2.gz FSUSTPZAEDEURM-MSOLQXFVSA-N 2 2 381.358 3.301 20 0 GGADLP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000645271244 567616606 /nfs/dbraw/zinc/61/66/06/567616606.db2.gz FSUSTPZAEDEURM-MSOLQXFVSA-N 2 2 381.358 3.301 20 0 GGADLP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000645271244 567616612 /nfs/dbraw/zinc/61/66/12/567616612.db2.gz FSUSTPZAEDEURM-MSOLQXFVSA-N 2 2 381.358 3.301 20 0 GGADLP C[C@H](NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000572241039 567623891 /nfs/dbraw/zinc/62/38/91/567623891.db2.gz ILFOMNOBHDTDOP-LESCRADOSA-N 2 2 394.357 3.090 20 0 GGADLP Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1Br ZINC000459435511 567624145 /nfs/dbraw/zinc/62/41/45/567624145.db2.gz DJBZIAHECGAURQ-CVEARBPZSA-N 2 2 383.330 3.012 20 0 GGADLP CCO[C@@H]1C[C@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@@H]1SC ZINC000459492318 567629841 /nfs/dbraw/zinc/62/98/41/567629841.db2.gz WMKFIXQYINXQDR-XHSDSOJGSA-N 2 2 398.370 3.446 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1OCCCO ZINC000459556776 567637815 /nfs/dbraw/zinc/63/78/15/567637815.db2.gz KOORRBYXACGSPH-AWEZNQCLSA-N 2 2 397.357 3.488 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000531141131 567643953 /nfs/dbraw/zinc/64/39/53/567643953.db2.gz YJPXDSFWJGFYNI-WBVHZDCISA-N 2 2 396.373 3.212 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000531141131 567643959 /nfs/dbraw/zinc/64/39/59/567643959.db2.gz YJPXDSFWJGFYNI-WBVHZDCISA-N 2 2 396.373 3.212 20 0 GGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000531141131 567643965 /nfs/dbraw/zinc/64/39/65/567643965.db2.gz YJPXDSFWJGFYNI-WBVHZDCISA-N 2 2 396.373 3.212 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000531141131 567643970 /nfs/dbraw/zinc/64/39/70/567643970.db2.gz YJPXDSFWJGFYNI-WBVHZDCISA-N 2 2 396.373 3.212 20 0 GGADLP OC[C@H](C[NH2+]Cc1cccc2[nH+]ccn21)Cc1cc(F)cc(Br)c1 ZINC000459695062 567651970 /nfs/dbraw/zinc/65/19/70/567651970.db2.gz JDLYIFPZGWVMLN-AWEZNQCLSA-N 2 2 392.272 3.177 20 0 GGADLP CC(C)[NH2+]CCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000572599534 567652391 /nfs/dbraw/zinc/65/23/91/567652391.db2.gz AMFUWIIOTQAFDX-UHFFFAOYSA-N 2 2 393.329 3.063 20 0 GGADLP Cc1[nH+]cc(C[NH2+]Cc2ccc(Cl)cc2I)n1C ZINC000572736194 567661787 /nfs/dbraw/zinc/66/17/87/567661787.db2.gz LURXXJNMKZWXIO-UHFFFAOYSA-N 2 2 375.641 3.276 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000666239433 567661955 /nfs/dbraw/zinc/66/19/55/567661955.db2.gz OHBGPOMMJCYZDO-KRWDZBQOSA-N 2 2 378.563 3.153 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000666239433 567661959 /nfs/dbraw/zinc/66/19/59/567661959.db2.gz OHBGPOMMJCYZDO-KRWDZBQOSA-N 2 2 378.563 3.153 20 0 GGADLP CCn1cc[nH+]c1CN(C(=O)c1sccc1Cl)[C@H]1CC12CC[NH2+]CC2 ZINC000572723515 567662019 /nfs/dbraw/zinc/66/20/19/567662019.db2.gz NDBGVIMGHHVJQP-AWEZNQCLSA-N 2 2 378.929 3.402 20 0 GGADLP COc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C2(C)C)cc1Br ZINC000572822463 567669190 /nfs/dbraw/zinc/66/91/90/567669190.db2.gz CZMOJMBXXJDOTE-LBPRGKRZSA-N 2 2 392.135 3.450 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]CC(=O)Nc3ccc(Br)cc3C)n2c1 ZINC000553710103 567678334 /nfs/dbraw/zinc/67/83/34/567678334.db2.gz XVVNLJFRCZQRCN-UHFFFAOYSA-N 2 2 387.281 3.442 20 0 GGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000623089470 567684124 /nfs/dbraw/zinc/68/41/24/567684124.db2.gz JDFPPPQYGYLKDH-UHFFFAOYSA-N 2 2 387.272 3.164 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000531910670 567686154 /nfs/dbraw/zinc/68/61/54/567686154.db2.gz QOMCGIRYZNGELM-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP O[C@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531910670 567686158 /nfs/dbraw/zinc/68/61/58/567686158.db2.gz QOMCGIRYZNGELM-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000531910671 567686968 /nfs/dbraw/zinc/68/69/68/567686968.db2.gz QOMCGIRYZNGELM-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(Br)c(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000531910671 567686975 /nfs/dbraw/zinc/68/69/75/567686975.db2.gz QOMCGIRYZNGELM-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)c(Cl)s2)CC12CCOCC2 ZINC000573206706 567696678 /nfs/dbraw/zinc/69/66/78/567696678.db2.gz KLLWSKYZABAUDB-JTQLQIEISA-N 2 2 379.751 3.351 20 0 GGADLP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)c(Cl)s2)CC12CCOCC2 ZINC000573206706 567696683 /nfs/dbraw/zinc/69/66/83/567696683.db2.gz KLLWSKYZABAUDB-JTQLQIEISA-N 2 2 379.751 3.351 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000532155185 567700065 /nfs/dbraw/zinc/70/00/65/567700065.db2.gz NAMVUZIOXFPXIM-ZBFHGGJFSA-N 2 2 386.367 3.457 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000532155185 567700069 /nfs/dbraw/zinc/70/00/69/567700069.db2.gz NAMVUZIOXFPXIM-ZBFHGGJFSA-N 2 2 386.367 3.457 20 0 GGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000532155185 567700079 /nfs/dbraw/zinc/70/00/79/567700079.db2.gz NAMVUZIOXFPXIM-ZBFHGGJFSA-N 2 2 386.367 3.457 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)NCCc2cccc(Cl)c2Cl)C[C@H]1C ZINC000532155185 567700086 /nfs/dbraw/zinc/70/00/86/567700086.db2.gz NAMVUZIOXFPXIM-ZBFHGGJFSA-N 2 2 386.367 3.457 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769681 567703125 /nfs/dbraw/zinc/70/31/25/567703125.db2.gz BAUVLDOWNSDFCB-MRXNPFEDSA-N 2 2 377.330 3.483 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000532225138 567704305 /nfs/dbraw/zinc/70/43/05/567704305.db2.gz NUJQKZYBHFWUKN-HIFRSBDPSA-N 2 2 392.345 3.331 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)nnn1-c1cccc(Br)c1 ZINC000532225138 567704311 /nfs/dbraw/zinc/70/43/11/567704311.db2.gz NUJQKZYBHFWUKN-HIFRSBDPSA-N 2 2 392.345 3.331 20 0 GGADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000442763089 567706896 /nfs/dbraw/zinc/70/68/96/567706896.db2.gz CURVMISWFJPUHU-VHSXEESVSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000442763089 567706897 /nfs/dbraw/zinc/70/68/97/567706897.db2.gz CURVMISWFJPUHU-VHSXEESVSA-N 2 2 394.235 3.076 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000623420724 567708748 /nfs/dbraw/zinc/70/87/48/567708748.db2.gz MYFKLKMWSDHMBQ-CRAIPNDOSA-N 2 2 384.362 3.379 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000623420724 567708751 /nfs/dbraw/zinc/70/87/51/567708751.db2.gz MYFKLKMWSDHMBQ-CRAIPNDOSA-N 2 2 384.362 3.379 20 0 GGADLP COc1c(Br)cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1Br ZINC000666945376 567714587 /nfs/dbraw/zinc/71/45/87/567714587.db2.gz MWBFHXAPKDMTQF-UWVGGRQHSA-N 2 2 396.098 3.010 20 0 GGADLP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000461033262 567717618 /nfs/dbraw/zinc/71/76/18/567717618.db2.gz YZHQCIOJXBVFBE-QAPCUYQASA-N 2 2 396.373 3.431 20 0 GGADLP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000461033262 567717619 /nfs/dbraw/zinc/71/76/19/567717619.db2.gz YZHQCIOJXBVFBE-QAPCUYQASA-N 2 2 396.373 3.431 20 0 GGADLP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646479910 567720068 /nfs/dbraw/zinc/72/00/68/567720068.db2.gz AWNMKKAAPNGWIN-FHLIZLRMSA-N 2 2 394.357 3.137 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000532542142 567721810 /nfs/dbraw/zinc/72/18/10/567721810.db2.gz NOBIYQLXNUDPEP-XNJGSVPQSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000532542142 567721815 /nfs/dbraw/zinc/72/18/15/567721815.db2.gz NOBIYQLXNUDPEP-XNJGSVPQSA-N 2 2 380.330 3.239 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000532574492 567722822 /nfs/dbraw/zinc/72/28/22/567722822.db2.gz KCWPXAXAKPDUKN-UHFFFAOYSA-N 2 2 388.339 3.101 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000532574492 567722829 /nfs/dbraw/zinc/72/28/29/567722829.db2.gz KCWPXAXAKPDUKN-UHFFFAOYSA-N 2 2 388.339 3.101 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(F)cc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000532628162 567726183 /nfs/dbraw/zinc/72/61/83/567726183.db2.gz BIDOGKVTCUWOHQ-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP O[C@@]1(C[NH2+]Cc2ccc(F)cc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000532628162 567726191 /nfs/dbraw/zinc/72/61/91/567726191.db2.gz BIDOGKVTCUWOHQ-LJQANCHMSA-N 2 2 393.300 3.315 20 0 GGADLP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000532763493 567733128 /nfs/dbraw/zinc/73/31/28/567733128.db2.gz NCHKOALVMZZVHW-MAUKXSAKSA-N 2 2 381.973 3.030 20 0 GGADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000623759453 567736525 /nfs/dbraw/zinc/73/65/25/567736525.db2.gz MSGNUBCOQLQJPF-QGZVFWFLSA-N 2 2 375.310 3.272 20 0 GGADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(-c3ccccc3Br)cc2)C1 ZINC000623759453 567736528 /nfs/dbraw/zinc/73/65/28/567736528.db2.gz MSGNUBCOQLQJPF-QGZVFWFLSA-N 2 2 375.310 3.272 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000532902177 567742212 /nfs/dbraw/zinc/74/22/12/567742212.db2.gz YKRJHCPELGFZFP-QGZVFWFLSA-N 2 2 375.563 3.291 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000532902177 567742216 /nfs/dbraw/zinc/74/22/16/567742216.db2.gz YKRJHCPELGFZFP-QGZVFWFLSA-N 2 2 375.563 3.291 20 0 GGADLP CC1(CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000646963707 567751621 /nfs/dbraw/zinc/75/16/21/567751621.db2.gz KICXUXFCUFYLAG-KRWDZBQOSA-N 2 2 394.357 3.092 20 0 GGADLP Cc1[nH+]cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)n1C ZINC000667566912 567756918 /nfs/dbraw/zinc/75/69/18/567756918.db2.gz LMAKMVZYMJGNOY-UHFFFAOYSA-N 2 2 391.313 3.342 20 0 GGADLP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000647077808 567758262 /nfs/dbraw/zinc/75/82/62/567758262.db2.gz NCINWBRFBCHAGS-ROUUACIJSA-N 2 2 394.357 3.234 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)c(Cl)c1 ZINC000624086586 567759045 /nfs/dbraw/zinc/75/90/45/567759045.db2.gz MORGZHPJHCCZLL-NHYWBVRUSA-N 2 2 388.737 3.093 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)c(Cl)c1 ZINC000624086586 567759051 /nfs/dbraw/zinc/75/90/51/567759051.db2.gz MORGZHPJHCCZLL-NHYWBVRUSA-N 2 2 388.737 3.093 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462043759 567761916 /nfs/dbraw/zinc/76/19/16/567761916.db2.gz CHGRKZSWLNVHOO-OAHLLOKOSA-N 2 2 384.977 3.056 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462043759 567761920 /nfs/dbraw/zinc/76/19/20/567761920.db2.gz CHGRKZSWLNVHOO-OAHLLOKOSA-N 2 2 384.977 3.056 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462043758 567762721 /nfs/dbraw/zinc/76/27/21/567762721.db2.gz CHGRKZSWLNVHOO-HNNXBMFYSA-N 2 2 384.977 3.056 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462043758 567762727 /nfs/dbraw/zinc/76/27/27/567762727.db2.gz CHGRKZSWLNVHOO-HNNXBMFYSA-N 2 2 384.977 3.056 20 0 GGADLP C[C@H](Nc1cc[nH+]c2c(Br)ccc(F)c12)[C@H](C)[NH+]1CCOCC1 ZINC000443514123 567764439 /nfs/dbraw/zinc/76/44/39/567764439.db2.gz FGBPCNPYIZIPHU-RYUDHWBXSA-N 2 2 382.277 3.079 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647176179 567767654 /nfs/dbraw/zinc/76/76/54/567767654.db2.gz XNXZOBRLYKAUKJ-UHFFFAOYSA-N 2 2 393.272 3.251 20 0 GGADLP C[C@@H](C[NH2+]Cc1cc(OC(F)F)ccc1Br)C[NH+]1CCOCC1 ZINC000647185143 567767727 /nfs/dbraw/zinc/76/77/27/567767727.db2.gz QAUAFFXTXDFKOA-LBPRGKRZSA-N 2 2 393.272 3.108 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](CCOc3ccccc3Br)CC2)c1 ZINC000508855159 567770212 /nfs/dbraw/zinc/77/02/12/567770212.db2.gz JLHSQMXCXFYEIE-UHFFFAOYSA-N 2 2 392.297 3.054 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC000555125525 567770668 /nfs/dbraw/zinc/77/06/68/567770668.db2.gz MEHVTBIYXDWGSR-UHFFFAOYSA-N 2 2 396.373 3.060 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCOc3ccc(Br)cc3C2)CC1 ZINC000555125525 567770670 /nfs/dbraw/zinc/77/06/70/567770670.db2.gz MEHVTBIYXDWGSR-UHFFFAOYSA-N 2 2 396.373 3.060 20 0 GGADLP Cc1cccc2[nH+]c(CC[NH2+]Cc3c(Cl)cccc3S(C)(=O)=O)cn21 ZINC000647262868 567775636 /nfs/dbraw/zinc/77/56/36/567775636.db2.gz VMOSRBSRPOCABO-UHFFFAOYSA-N 2 2 377.897 3.032 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(Br)c1 ZINC000574419617 567776390 /nfs/dbraw/zinc/77/63/90/567776390.db2.gz MYTYDSSPHDDQOQ-OAHLLOKOSA-N 2 2 395.341 3.399 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(Br)c1 ZINC000574419617 567776395 /nfs/dbraw/zinc/77/63/95/567776395.db2.gz MYTYDSSPHDDQOQ-OAHLLOKOSA-N 2 2 395.341 3.399 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(Br)c1 ZINC000574419617 567776398 /nfs/dbraw/zinc/77/63/98/567776398.db2.gz MYTYDSSPHDDQOQ-OAHLLOKOSA-N 2 2 395.341 3.399 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(Br)c1 ZINC000574419617 567776403 /nfs/dbraw/zinc/77/64/03/567776403.db2.gz MYTYDSSPHDDQOQ-OAHLLOKOSA-N 2 2 395.341 3.399 20 0 GGADLP Cc1c(Br)cncc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000667959506 567785999 /nfs/dbraw/zinc/78/59/99/567785999.db2.gz PVJQEWACSIEGTE-UHFFFAOYSA-N 2 2 396.373 3.477 20 0 GGADLP O=C(C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Nc1cccc(Br)c1 ZINC000574629917 567789171 /nfs/dbraw/zinc/78/91/71/567789171.db2.gz CBORPZDNNLGUNY-WMZOPIPTSA-N 2 2 388.309 3.471 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542935 567790613 /nfs/dbraw/zinc/79/06/13/567790613.db2.gz DXHGOPRMOJKPNR-HZPDHXFCSA-N 2 2 384.973 3.345 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542935 567790617 /nfs/dbraw/zinc/79/06/17/567790617.db2.gz DXHGOPRMOJKPNR-HZPDHXFCSA-N 2 2 384.973 3.345 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000555598126 567791675 /nfs/dbraw/zinc/79/16/75/567791675.db2.gz RELMMJRIVGBJLU-GOSISDBHSA-N 2 2 383.330 3.384 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000555598126 567791679 /nfs/dbraw/zinc/79/16/79/567791679.db2.gz RELMMJRIVGBJLU-GOSISDBHSA-N 2 2 383.330 3.384 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000555598126 567791681 /nfs/dbraw/zinc/79/16/81/567791681.db2.gz RELMMJRIVGBJLU-GOSISDBHSA-N 2 2 383.330 3.384 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000555598126 567791682 /nfs/dbraw/zinc/79/16/82/567791682.db2.gz RELMMJRIVGBJLU-GOSISDBHSA-N 2 2 383.330 3.384 20 0 GGADLP Cn1c[nH+]cc1CCCSc1nnc(SCCCc2c[nH+]cn2C)s1 ZINC000574703620 567792568 /nfs/dbraw/zinc/79/25/68/567792568.db2.gz FHJWYWOAQVZYCS-UHFFFAOYSA-N 2 2 394.595 3.455 20 0 GGADLP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(Br)c(F)c1 ZINC000574803847 567798279 /nfs/dbraw/zinc/79/82/79/567798279.db2.gz SIBUHZVPGUCPHQ-JTQLQIEISA-N 2 2 382.281 3.024 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000574813144 567798349 /nfs/dbraw/zinc/79/83/49/567798349.db2.gz RHVGZEUQEZFFFC-HOCLYGCPSA-N 2 2 394.357 3.406 20 0 GGADLP Brc1ccc(CN(CCn2cc[nH+]c2)Cc2c[nH+]c3n2CCC3)o1 ZINC000668166637 567799717 /nfs/dbraw/zinc/79/97/17/567799717.db2.gz CRFXIHKPVXLEDL-UHFFFAOYSA-N 2 2 390.285 3.084 20 0 GGADLP O=C(C[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Br)cc1Cl ZINC000647814495 567801779 /nfs/dbraw/zinc/80/17/79/567801779.db2.gz QIJCOSUMRWOLPS-UHFFFAOYSA-N 2 2 386.721 3.257 20 0 GGADLP O=C(C[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Br)cc1Cl ZINC000647814495 567801783 /nfs/dbraw/zinc/80/17/83/567801783.db2.gz QIJCOSUMRWOLPS-UHFFFAOYSA-N 2 2 386.721 3.257 20 0 GGADLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000598994318 567802159 /nfs/dbraw/zinc/80/21/59/567802159.db2.gz JSUSHEOUBBOANE-LBPRGKRZSA-N 2 2 376.257 3.252 20 0 GGADLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000598994318 567802162 /nfs/dbraw/zinc/80/21/62/567802162.db2.gz JSUSHEOUBBOANE-LBPRGKRZSA-N 2 2 376.257 3.252 20 0 GGADLP Cc1sc(NC(=O)C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc1-c1ccc(Cl)cc1 ZINC000647905534 567806178 /nfs/dbraw/zinc/80/61/78/567806178.db2.gz DDWNCXRCJBSGJG-AAEUAGOBSA-N 2 2 378.929 3.380 20 0 GGADLP Cc1sc(NC(=O)C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)nc1-c1ccc(Cl)cc1 ZINC000647905534 567806179 /nfs/dbraw/zinc/80/61/79/567806179.db2.gz DDWNCXRCJBSGJG-AAEUAGOBSA-N 2 2 378.929 3.380 20 0 GGADLP Cc1sc(NC(=O)C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc1-c1ccc(Cl)cc1 ZINC000647905535 567806187 /nfs/dbraw/zinc/80/61/87/567806187.db2.gz DDWNCXRCJBSGJG-DGCLKSJQSA-N 2 2 378.929 3.380 20 0 GGADLP Cc1sc(NC(=O)C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)nc1-c1ccc(Cl)cc1 ZINC000647905535 567806188 /nfs/dbraw/zinc/80/61/88/567806188.db2.gz DDWNCXRCJBSGJG-DGCLKSJQSA-N 2 2 378.929 3.380 20 0 GGADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000647908450 567806681 /nfs/dbraw/zinc/80/66/81/567806681.db2.gz JOZCKSCQIKEDGN-UHFFFAOYSA-N 2 2 376.298 3.239 20 0 GGADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccccc1Br)Cc1ccccc1 ZINC000647908450 567806684 /nfs/dbraw/zinc/80/66/84/567806684.db2.gz JOZCKSCQIKEDGN-UHFFFAOYSA-N 2 2 376.298 3.239 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000534309469 567806686 /nfs/dbraw/zinc/80/66/86/567806686.db2.gz TYCOZTOIVGAISM-KBPBESRZSA-N 2 2 391.313 3.308 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000534309469 567806690 /nfs/dbraw/zinc/80/66/90/567806690.db2.gz TYCOZTOIVGAISM-KBPBESRZSA-N 2 2 391.313 3.308 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]21 ZINC000647907906 567806755 /nfs/dbraw/zinc/80/67/55/567806755.db2.gz OCKQMYBCSDWXLA-SCDSUCTJSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]21 ZINC000647907906 567806758 /nfs/dbraw/zinc/80/67/58/567806758.db2.gz OCKQMYBCSDWXLA-SCDSUCTJSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000647907779 567806851 /nfs/dbraw/zinc/80/68/51/567806851.db2.gz UFKFITGQSWRIHC-GARJFASQSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@@H]21 ZINC000647907779 567806853 /nfs/dbraw/zinc/80/68/53/567806853.db2.gz UFKFITGQSWRIHC-GARJFASQSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]21 ZINC000647907907 567807024 /nfs/dbraw/zinc/80/70/24/567807024.db2.gz OCKQMYBCSDWXLA-VHRBIJSZSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C[C@@H]21 ZINC000647907907 567807028 /nfs/dbraw/zinc/80/70/28/567807028.db2.gz OCKQMYBCSDWXLA-VHRBIJSZSA-N 2 2 375.822 3.357 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000534309472 567807617 /nfs/dbraw/zinc/80/76/17/567807617.db2.gz TYCOZTOIVGAISM-UONOGXRCSA-N 2 2 391.313 3.308 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)ccc1Br ZINC000534309472 567807620 /nfs/dbraw/zinc/80/76/20/567807620.db2.gz TYCOZTOIVGAISM-UONOGXRCSA-N 2 2 391.313 3.308 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)c1ccnc(-n2cc[nH+]c2)c1)c1cccc(OC)c1 ZINC000048246343 570222960 /nfs/dbraw/zinc/22/29/60/570222960.db2.gz PLWGDQDMYBRTMV-HXUWFJFHSA-N 2 2 393.491 3.089 20 0 GGADLP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000237673911 570389001 /nfs/dbraw/zinc/38/90/01/570389001.db2.gz GZVBLYZGFXROHJ-UHFFFAOYSA-N 2 2 390.959 3.138 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000221892372 570402986 /nfs/dbraw/zinc/40/29/86/570402986.db2.gz USTUINYZBNOTHL-FUHWJXTLSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000221892372 570402988 /nfs/dbraw/zinc/40/29/88/570402988.db2.gz USTUINYZBNOTHL-FUHWJXTLSA-N 2 2 381.948 3.314 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045491006 570991807 /nfs/dbraw/zinc/99/18/07/570991807.db2.gz SWGYJQAHPMBPHS-UHFFFAOYSA-N 2 2 399.583 3.479 20 0 GGADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](Cc2ccsc2)CC1 ZINC000737411482 599262873 /nfs/dbraw/zinc/26/28/73/599262873.db2.gz ZRPDMRLFPXXJPL-UHFFFAOYSA-N 2 2 391.504 3.107 20 0 GGADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@@H]([NH+]4CCCCC4)C3)c2c1 ZINC000822194991 599544769 /nfs/dbraw/zinc/54/47/69/599544769.db2.gz CLEDFFGIDXOLKG-MRXNPFEDSA-N 2 2 377.496 3.096 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000736227693 599588536 /nfs/dbraw/zinc/58/85/36/599588536.db2.gz MFWCFKFRFSBQQA-OXQOHEQNSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000736227693 599588537 /nfs/dbraw/zinc/58/85/37/599588537.db2.gz MFWCFKFRFSBQQA-OXQOHEQNSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)CC[NH+]1Cc1ccccc1 ZINC000736227693 599588540 /nfs/dbraw/zinc/58/85/40/599588540.db2.gz MFWCFKFRFSBQQA-OXQOHEQNSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)CC[NH+]1Cc1ccccc1 ZINC000736227693 599588542 /nfs/dbraw/zinc/58/85/42/599588542.db2.gz MFWCFKFRFSBQQA-OXQOHEQNSA-N 2 2 394.498 3.491 20 0 GGADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000822741501 607477880 /nfs/dbraw/zinc/47/78/80/607477880.db2.gz XYNSGNHYRKZJBF-QGZVFWFLSA-N 2 2 380.471 3.008 20 0 GGADLP Fc1cc(-c2nn[nH]n2)ccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000822741501 607477881 /nfs/dbraw/zinc/47/78/81/607477881.db2.gz XYNSGNHYRKZJBF-QGZVFWFLSA-N 2 2 380.471 3.008 20 0 GGADLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c(C)c1 ZINC000826284574 607539836 /nfs/dbraw/zinc/53/98/36/607539836.db2.gz YDNDSUJEFXDSGQ-KRWDZBQOSA-N 2 2 379.493 3.273 20 0 GGADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCCc3cc(-c4nn[nH]n4)ccc31)C2 ZINC000824136429 608506685 /nfs/dbraw/zinc/50/66/85/608506685.db2.gz QPWRAJUNAOIHMG-WMZOPIPTSA-N 2 2 391.523 3.343 20 0 GGADLP CC[N@@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825428454 608740859 /nfs/dbraw/zinc/74/08/59/608740859.db2.gz NJIBJXGKCCVMFO-QGZVFWFLSA-N 2 2 382.537 3.272 20 0 GGADLP CC[N@H+](Cc1cc(-c2nn[nH]n2)cs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000825428454 608740862 /nfs/dbraw/zinc/74/08/62/608740862.db2.gz NJIBJXGKCCVMFO-QGZVFWFLSA-N 2 2 382.537 3.272 20 0 GGADLP CC[NH+](Cc1cc(-c2nn[nH]n2)cs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000825428454 608740868 /nfs/dbraw/zinc/74/08/68/608740868.db2.gz NJIBJXGKCCVMFO-QGZVFWFLSA-N 2 2 382.537 3.272 20 0 GGADLP CC[NH+](Cc1cc(-c2nn[nH]n2)cs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000825428454 608740871 /nfs/dbraw/zinc/74/08/71/608740871.db2.gz NJIBJXGKCCVMFO-QGZVFWFLSA-N 2 2 382.537 3.272 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547245 609152724 /nfs/dbraw/zinc/15/27/24/609152724.db2.gz NPEBBLHEINFZFR-CABCVRRESA-N 2 2 395.486 3.277 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547248 609153043 /nfs/dbraw/zinc/15/30/43/609153043.db2.gz NPEBBLHEINFZFR-GJZGRUSLSA-N 2 2 395.486 3.277 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000053111928 1406295346 /nfs/dbraw/zinc/29/53/46/1406295346.db2.gz AVRZTJFEKWODOK-UHFFFAOYSA-N 2 2 390.915 3.093 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000053111928 1406295363 /nfs/dbraw/zinc/29/53/63/1406295363.db2.gz AVRZTJFEKWODOK-UHFFFAOYSA-N 2 2 390.915 3.093 20 0 GGADLP Cc1ccccc1[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053279649 1406353525 /nfs/dbraw/zinc/35/35/25/1406353525.db2.gz UWGRGCMIDCLPPR-NRFANRHFSA-N 2 2 378.520 3.266 20 0 GGADLP Cc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053279649 1406353534 /nfs/dbraw/zinc/35/35/34/1406353534.db2.gz UWGRGCMIDCLPPR-NRFANRHFSA-N 2 2 378.520 3.266 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000053534492 1406430807 /nfs/dbraw/zinc/43/08/07/1406430807.db2.gz YFCZUEZUJKNHOG-SFHVURJKSA-N 2 2 388.537 3.005 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053718478 1406488069 /nfs/dbraw/zinc/48/80/69/1406488069.db2.gz HXEPDOKEDXIXBG-HXUWFJFHSA-N 2 2 382.483 3.097 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H]1c1cccc(F)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053718478 1406488081 /nfs/dbraw/zinc/48/80/81/1406488081.db2.gz HXEPDOKEDXIXBG-HXUWFJFHSA-N 2 2 382.483 3.097 20 0 GGADLP C[C@@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC000054043957 1406603131 /nfs/dbraw/zinc/60/31/31/1406603131.db2.gz HBKUYJNONRAMLI-GCJKJVERSA-N 2 2 391.519 3.405 20 0 GGADLP O=C(NCCCn1cc[nH+]c1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000054046083 1406603856 /nfs/dbraw/zinc/60/38/56/1406603856.db2.gz GFSBRAVLBYBLJE-SFHVURJKSA-N 2 2 375.904 3.063 20 0 GGADLP CC(C)(C)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000054397230 1406719721 /nfs/dbraw/zinc/71/97/21/1406719721.db2.gz IAIFVUYEHFKYHU-QFIPXVFZSA-N 2 2 380.536 3.497 20 0 GGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3c(Cl)nc4ccccn43)cc2)CC1 ZINC000054470306 1406744490 /nfs/dbraw/zinc/74/44/90/1406744490.db2.gz NSYDKFAHSQYCAF-UHFFFAOYSA-N 2 2 383.927 3.025 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3c(Cl)nc4ccccn43)cc2)CC1 ZINC000054470306 1406744499 /nfs/dbraw/zinc/74/44/99/1406744499.db2.gz NSYDKFAHSQYCAF-UHFFFAOYSA-N 2 2 383.927 3.025 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000010340544 1398887290 /nfs/dbraw/zinc/88/72/90/1398887290.db2.gz YXQQFGGCXNWAJD-JOCHJYFZSA-N 2 2 379.504 3.294 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000010340544 1398887292 /nfs/dbraw/zinc/88/72/92/1398887292.db2.gz YXQQFGGCXNWAJD-JOCHJYFZSA-N 2 2 379.504 3.294 20 0 GGADLP COc1ccc([C@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014043218 1399084248 /nfs/dbraw/zinc/08/42/48/1399084248.db2.gz HLHAAIHFJHJTAV-HSZRJFAPSA-N 2 2 393.531 3.177 20 0 GGADLP COc1ccc([C@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000014043218 1399084249 /nfs/dbraw/zinc/08/42/49/1399084249.db2.gz HLHAAIHFJHJTAV-HSZRJFAPSA-N 2 2 393.531 3.177 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025359086 1399802361 /nfs/dbraw/zinc/80/23/61/1399802361.db2.gz YACXIQSCKFIVCW-QHCPKHFHSA-N 2 2 393.531 3.164 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1Cc1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025359086 1399802363 /nfs/dbraw/zinc/80/23/63/1399802363.db2.gz YACXIQSCKFIVCW-QHCPKHFHSA-N 2 2 393.531 3.164 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000026861846 1399943711 /nfs/dbraw/zinc/94/37/11/1399943711.db2.gz PBROQAIQMXHMET-MRXNPFEDSA-N 2 2 387.911 3.462 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2sccc2C1 ZINC000028175719 1400136315 /nfs/dbraw/zinc/13/63/15/1400136315.db2.gz OGWWAGSOSNYDEY-KRWDZBQOSA-N 2 2 383.561 3.276 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2sccc2C1 ZINC000028175719 1400136323 /nfs/dbraw/zinc/13/63/23/1400136323.db2.gz OGWWAGSOSNYDEY-KRWDZBQOSA-N 2 2 383.561 3.276 20 0 GGADLP CC(C)[C@H]([NH2+]CC(=O)NCc1ccccc1C[NH+]1CCOCC1)c1ccccc1 ZINC000029198098 1400256997 /nfs/dbraw/zinc/25/69/97/1400256997.db2.gz BCCCGDKVJLCDNS-DEOSSOPVSA-N 2 2 395.547 3.122 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000029810585 1400357120 /nfs/dbraw/zinc/35/71/20/1400357120.db2.gz FCVONPHKWRKTSE-QHCPKHFHSA-N 2 2 377.532 3.259 20 0 GGADLP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000029810585 1400357127 /nfs/dbraw/zinc/35/71/27/1400357127.db2.gz FCVONPHKWRKTSE-QHCPKHFHSA-N 2 2 377.532 3.259 20 0 GGADLP O=C(NCCC[NH2+]C1CCCCC1)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043034829 1403693259 /nfs/dbraw/zinc/69/32/59/1403693259.db2.gz DSNUHJKXTRWKQI-UHFFFAOYSA-N 2 2 383.540 3.086 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043237891 1403732442 /nfs/dbraw/zinc/73/24/42/1403732442.db2.gz OWTUCIBCURGDCQ-JOCHJYFZSA-N 2 2 389.503 3.005 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043237891 1403732445 /nfs/dbraw/zinc/73/24/45/1403732445.db2.gz OWTUCIBCURGDCQ-JOCHJYFZSA-N 2 2 389.503 3.005 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043237888 1403732502 /nfs/dbraw/zinc/73/25/02/1403732502.db2.gz OWTUCIBCURGDCQ-QFIPXVFZSA-N 2 2 389.503 3.005 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043237888 1403732506 /nfs/dbraw/zinc/73/25/06/1403732506.db2.gz OWTUCIBCURGDCQ-QFIPXVFZSA-N 2 2 389.503 3.005 20 0 GGADLP COc1cccc([C@H](CNC(=O)NCCCNc2cccc[nH+]2)[NH+]2CCCC2)c1 ZINC000043306958 1403745121 /nfs/dbraw/zinc/74/51/21/1403745121.db2.gz IEUIPZSYTUUFLF-FQEVSTJZSA-N 2 2 397.523 3.029 20 0 GGADLP O=C(Nc1nc(C[NH+]2CCCCC2)cs1)N1CC[NH+](C2CCCC2)CC1 ZINC000043516789 1403778225 /nfs/dbraw/zinc/77/82/25/1403778225.db2.gz FCXCRNFRJUAJHY-UHFFFAOYSA-N 2 2 377.558 3.221 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CC4)CC3)n2)C1 ZINC000043546906 1403783527 /nfs/dbraw/zinc/78/35/27/1403783527.db2.gz DGANVCCTGKUODS-AWEZNQCLSA-N 2 2 377.558 3.123 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CC[NH+](C4CC4)CC3)n2)C1 ZINC000043546906 1403783530 /nfs/dbraw/zinc/78/35/30/1403783530.db2.gz DGANVCCTGKUODS-AWEZNQCLSA-N 2 2 377.558 3.123 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)n2)C1 ZINC000043547408 1403783644 /nfs/dbraw/zinc/78/36/44/1403783644.db2.gz HDGLABGIISGKTI-ZBFHGGJFSA-N 2 2 391.541 3.392 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@@H](c3ccco3)[NH+](C)C)n2)C1 ZINC000043547408 1403783647 /nfs/dbraw/zinc/78/36/47/1403783647.db2.gz HDGLABGIISGKTI-ZBFHGGJFSA-N 2 2 391.541 3.392 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCCC4)CC3)n2)C1 ZINC000043546492 1403783726 /nfs/dbraw/zinc/78/37/26/1403783726.db2.gz QNPVKUOMMICXQH-INIZCTEOSA-N 2 2 391.585 3.467 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[NH+](C4CCCC4)CC3)n2)C1 ZINC000043546492 1403783729 /nfs/dbraw/zinc/78/37/29/1403783729.db2.gz QNPVKUOMMICXQH-INIZCTEOSA-N 2 2 391.585 3.467 20 0 GGADLP COc1cccc([C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+]2CCCC2)c1 ZINC000045052734 1404044635 /nfs/dbraw/zinc/04/46/35/1404044635.db2.gz YBUHYUSSLOOXIC-JOCHJYFZSA-N 2 2 390.487 3.448 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)c1ccc(-n2cc[nH+]c2)cc1)[NH+]1CCCC1 ZINC000045053273 1404045357 /nfs/dbraw/zinc/04/53/57/1404045357.db2.gz GUKIQAMMDFRVAS-OAQYLSRUSA-N 2 2 390.487 3.448 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000045186934 1404070640 /nfs/dbraw/zinc/07/06/40/1404070640.db2.gz GHBGXRSUMGOWOX-UHFFFAOYSA-N 2 2 381.524 3.369 20 0 GGADLP CC(C)[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000045327747 1404099570 /nfs/dbraw/zinc/09/95/70/1404099570.db2.gz OAFKDUDRXSHOFX-QFIPXVFZSA-N 2 2 384.499 3.246 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000045491105 1404131212 /nfs/dbraw/zinc/13/12/12/1404131212.db2.gz YNILOATXODDIRD-KDURUIRLSA-N 2 2 387.572 3.239 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000045491105 1404131218 /nfs/dbraw/zinc/13/12/18/1404131218.db2.gz YNILOATXODDIRD-KDURUIRLSA-N 2 2 387.572 3.239 20 0 GGADLP CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045490786 1404131393 /nfs/dbraw/zinc/13/13/93/1404131393.db2.gz QHORYCAVTQJPGT-UHFFFAOYSA-N 2 2 375.561 3.191 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000045531592 1404140254 /nfs/dbraw/zinc/14/02/54/1404140254.db2.gz ZPSQXJHPVFIEKP-OAQYLSRUSA-N 2 2 397.567 3.284 20 0 GGADLP CC1CC[NH+](CCCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)CC1 ZINC000045532217 1404140530 /nfs/dbraw/zinc/14/05/30/1404140530.db2.gz GDJYXGFRYPNMPG-UHFFFAOYSA-N 2 2 397.567 3.285 20 0 GGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000045532227 1404140587 /nfs/dbraw/zinc/14/05/87/1404140587.db2.gz GLQMTFGALFZXAP-HXUWFJFHSA-N 2 2 397.567 3.285 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000045532227 1404140599 /nfs/dbraw/zinc/14/05/99/1404140599.db2.gz GLQMTFGALFZXAP-HXUWFJFHSA-N 2 2 397.567 3.285 20 0 GGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000045532229 1404140938 /nfs/dbraw/zinc/14/09/38/1404140938.db2.gz GLQMTFGALFZXAP-FQEVSTJZSA-N 2 2 397.567 3.285 20 0 GGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000045532229 1404140948 /nfs/dbraw/zinc/14/09/48/1404140948.db2.gz GLQMTFGALFZXAP-FQEVSTJZSA-N 2 2 397.567 3.285 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1cccs1 ZINC000045606280 1404158993 /nfs/dbraw/zinc/15/89/93/1404158993.db2.gz ZBJZPBQWXAHUJP-GOSISDBHSA-N 2 2 383.521 3.095 20 0 GGADLP Cc1cc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)ccc1N1CC[NH+](C)CC1 ZINC000045647225 1404169259 /nfs/dbraw/zinc/16/92/59/1404169259.db2.gz BFXZIRLCJQNSJP-UHFFFAOYSA-N 2 2 389.503 3.244 20 0 GGADLP C[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000056629189 1407385973 /nfs/dbraw/zinc/38/59/73/1407385973.db2.gz HCQAHXGHZVJYLC-QRVBRYPASA-N 2 2 388.556 3.292 20 0 GGADLP C[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000056629189 1407385979 /nfs/dbraw/zinc/38/59/79/1407385979.db2.gz HCQAHXGHZVJYLC-QRVBRYPASA-N 2 2 388.556 3.292 20 0 GGADLP C[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@@H+]1CCc2sccc2C1 ZINC000045732569 1404189527 /nfs/dbraw/zinc/18/95/27/1404189527.db2.gz QOCFYUXBKOIHJH-MRXNPFEDSA-N 2 2 380.517 3.170 20 0 GGADLP C[C@H](CNC(=O)c1cccc(Cn2cc[nH+]c2)c1)[N@H+]1CCc2sccc2C1 ZINC000045732569 1404189536 /nfs/dbraw/zinc/18/95/36/1404189536.db2.gz QOCFYUXBKOIHJH-MRXNPFEDSA-N 2 2 380.517 3.170 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000045757420 1404196039 /nfs/dbraw/zinc/19/60/39/1404196039.db2.gz JRXQQKLLADDLHT-UHFFFAOYSA-N 2 2 381.524 3.156 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000045974629 1404257913 /nfs/dbraw/zinc/25/79/13/1404257913.db2.gz VBLFAQJVYCGXJW-SFHVURJKSA-N 2 2 388.556 3.293 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000045974629 1404257921 /nfs/dbraw/zinc/25/79/21/1404257921.db2.gz VBLFAQJVYCGXJW-SFHVURJKSA-N 2 2 388.556 3.293 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019579 1404274108 /nfs/dbraw/zinc/27/41/08/1404274108.db2.gz HAMAMKISHBHVKD-LJQANCHMSA-N 2 2 383.540 3.385 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019579 1404274117 /nfs/dbraw/zinc/27/41/17/1404274117.db2.gz HAMAMKISHBHVKD-LJQANCHMSA-N 2 2 383.540 3.385 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1ccsc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000046089312 1404294271 /nfs/dbraw/zinc/29/42/71/1404294271.db2.gz JEGWYWBWESFBQF-NRFANRHFSA-N 2 2 399.560 3.034 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1ccsc1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000046089312 1404294277 /nfs/dbraw/zinc/29/42/77/1404294277.db2.gz JEGWYWBWESFBQF-NRFANRHFSA-N 2 2 399.560 3.034 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccsc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000046088447 1404294591 /nfs/dbraw/zinc/29/45/91/1404294591.db2.gz USKROCNIZAZKOM-LJQANCHMSA-N 2 2 391.581 3.036 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1ccsc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000046088447 1404294595 /nfs/dbraw/zinc/29/45/95/1404294595.db2.gz USKROCNIZAZKOM-LJQANCHMSA-N 2 2 391.581 3.036 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046757859 1404579466 /nfs/dbraw/zinc/57/94/66/1404579466.db2.gz ZCICEVMLPABALA-PMACEKPBSA-N 2 2 397.567 3.489 20 0 GGADLP CC(C)(CNC(=O)NCCCNc1cccc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000046944442 1404646328 /nfs/dbraw/zinc/64/63/28/1404646328.db2.gz GYQCKWZBOPVXMK-UHFFFAOYSA-N 2 2 381.524 3.020 20 0 GGADLP CC(C)(CNC(=O)NCCCNc1cccc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000046944442 1404646342 /nfs/dbraw/zinc/64/63/42/1404646342.db2.gz GYQCKWZBOPVXMK-UHFFFAOYSA-N 2 2 381.524 3.020 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000046944070 1404646866 /nfs/dbraw/zinc/64/68/66/1404646866.db2.gz CLWUGMLUHOVDBJ-UHFFFAOYSA-N 2 2 381.524 3.110 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000046944070 1404646877 /nfs/dbraw/zinc/64/68/77/1404646877.db2.gz CLWUGMLUHOVDBJ-UHFFFAOYSA-N 2 2 381.524 3.110 20 0 GGADLP CC[NH+](CC)CCOc1ccc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC000047304456 1404797287 /nfs/dbraw/zinc/79/72/87/1404797287.db2.gz IIVMJIHQTSPNKX-UHFFFAOYSA-N 2 2 396.535 3.332 20 0 GGADLP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCNc1cccc[nH+]1 ZINC000047501146 1404853125 /nfs/dbraw/zinc/85/31/25/1404853125.db2.gz FGYBADLFHBQVSF-SFHVURJKSA-N 2 2 381.524 3.367 20 0 GGADLP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCNc1cccc[nH+]1 ZINC000047501146 1404853127 /nfs/dbraw/zinc/85/31/27/1404853127.db2.gz FGYBADLFHBQVSF-SFHVURJKSA-N 2 2 381.524 3.367 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCCCn2cc[nH+]c2)C1 ZINC000047597363 1404876562 /nfs/dbraw/zinc/87/65/62/1404876562.db2.gz ZNJGVOSWODELSO-RTBURBONSA-N 2 2 383.540 3.251 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000047871545 1404978251 /nfs/dbraw/zinc/97/82/51/1404978251.db2.gz OVUZGJJSIMVEKD-HXUWFJFHSA-N 2 2 393.491 3.161 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000047921112 1404997024 /nfs/dbraw/zinc/99/70/24/1404997024.db2.gz ZFZYQLHCTKJAAR-IRXDYDNUSA-N 2 2 375.542 3.106 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000047921118 1404997062 /nfs/dbraw/zinc/99/70/62/1404997062.db2.gz ZFZYQLHCTKJAAR-IAGOWNOFSA-N 2 2 375.542 3.106 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000047949379 1405008718 /nfs/dbraw/zinc/00/87/18/1405008718.db2.gz UGVIXBLFSVPVID-OAQYLSRUSA-N 2 2 393.535 3.318 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000047964782 1405012628 /nfs/dbraw/zinc/01/26/28/1405012628.db2.gz NKTFBTCVORNPPA-JOCHJYFZSA-N 2 2 389.503 3.005 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000047964782 1405012635 /nfs/dbraw/zinc/01/26/35/1405012635.db2.gz NKTFBTCVORNPPA-JOCHJYFZSA-N 2 2 389.503 3.005 20 0 GGADLP CC[NH+](CC)CC1CC[NH+](CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 ZINC000047976652 1405014552 /nfs/dbraw/zinc/01/45/52/1405014552.db2.gz AGRWRAQVEAZCQR-UHFFFAOYSA-N 2 2 389.462 3.224 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000047988703 1405020063 /nfs/dbraw/zinc/02/00/63/1405020063.db2.gz YAUQEMHBGZAVGD-CRAIPNDOSA-N 2 2 375.904 3.061 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000048525556 1405215298 /nfs/dbraw/zinc/21/52/98/1405215298.db2.gz DVFYPPUXKGNYLE-SFHVURJKSA-N 2 2 391.519 3.500 20 0 GGADLP CC(C)Oc1ccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000048713612 1405266300 /nfs/dbraw/zinc/26/63/00/1405266300.db2.gz KAXFVGZDTNQFHX-UHFFFAOYSA-N 2 2 381.520 3.151 20 0 GGADLP Fc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000048745603 1405279668 /nfs/dbraw/zinc/27/96/68/1405279668.db2.gz VAQGWQYFIBPSBZ-UHFFFAOYSA-N 2 2 380.467 3.338 20 0 GGADLP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000048745604 1405279828 /nfs/dbraw/zinc/27/98/28/1405279828.db2.gz VJSNUKWTIVZJOA-UHFFFAOYSA-N 2 2 392.503 3.207 20 0 GGADLP CC(C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[NH+]1CCC(C)CC1 ZINC000048965276 1405328556 /nfs/dbraw/zinc/32/85/56/1405328556.db2.gz RKHHBPJIMXVPJY-QFIPXVFZSA-N 2 2 397.567 3.487 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000048965593 1405328578 /nfs/dbraw/zinc/32/85/78/1405328578.db2.gz GUUQIRGPFFGQNE-RTBURBONSA-N 2 2 383.540 3.099 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000048965589 1405328834 /nfs/dbraw/zinc/32/88/34/1405328834.db2.gz GUUQIRGPFFGQNE-OALUTQOASA-N 2 2 383.540 3.099 20 0 GGADLP CC[NH+](CC)CCOc1ccc(C(=O)NCc2[nH+]cc(C)c(OC)c2C)cc1 ZINC000050770385 1405649310 /nfs/dbraw/zinc/64/93/10/1405649310.db2.gz PFTBTWGVRWYMEG-UHFFFAOYSA-N 2 2 385.508 3.358 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCc3ccc4ccccc4c3)CC2)CC1 ZINC000050797328 1405655151 /nfs/dbraw/zinc/65/51/51/1405655151.db2.gz UAPNXPAANGMHCV-UHFFFAOYSA-N 2 2 379.548 3.447 20 0 GGADLP Cc1cccc(OCCCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000050797030 1405656421 /nfs/dbraw/zinc/65/64/21/1405656421.db2.gz DGJOYCCWFCEBKL-UHFFFAOYSA-N 2 2 387.568 3.219 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Oc4ccccc4)nc3)CC2)CC1 ZINC000050797857 1405656679 /nfs/dbraw/zinc/65/66/79/1405656679.db2.gz LGHQUYOXKLMRAB-UHFFFAOYSA-N 2 2 394.519 3.162 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)CC1 ZINC000050799485 1405657214 /nfs/dbraw/zinc/65/72/14/1405657214.db2.gz XWWXKYWNHRTLRB-UHFFFAOYSA-N 2 2 393.959 3.172 20 0 GGADLP Cn1c2ccccc2c(Cl)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050798447 1405657614 /nfs/dbraw/zinc/65/76/14/1405657614.db2.gz ARYNAGBDTNHAEQ-UHFFFAOYSA-N 2 2 388.943 3.120 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3[nH]c4ccc(F)cc4c3Cl)CC2)CC1 ZINC000050797956 1405657660 /nfs/dbraw/zinc/65/76/60/1405657660.db2.gz XEDYWNKLPOFCNP-UHFFFAOYSA-N 2 2 392.906 3.249 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(-c4ccccc4)n3)CC2)CC1 ZINC000050800240 1405657873 /nfs/dbraw/zinc/65/78/73/1405657873.db2.gz AVVPDFSIVKRVHO-UHFFFAOYSA-N 2 2 384.549 3.099 20 0 GGADLP CC[C@H](C)c1ccccc1OCC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050799536 1405658023 /nfs/dbraw/zinc/65/80/23/1405658023.db2.gz KTNPJILCMLRRHS-SFHVURJKSA-N 2 2 387.568 3.254 20 0 GGADLP Cc1ccc(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1Cl ZINC000050800029 1405658281 /nfs/dbraw/zinc/65/82/81/1405658281.db2.gz MOLWNCZMRQGCAB-UHFFFAOYSA-N 2 2 377.960 3.256 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)COc3ccccc3C(C)(C)C)CC2)CC1 ZINC000050800760 1405660030 /nfs/dbraw/zinc/66/00/30/1405660030.db2.gz RGKFETWOXAVBRF-UHFFFAOYSA-N 2 2 387.568 3.038 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C ZINC000051334662 1405788480 /nfs/dbraw/zinc/78/84/80/1405788480.db2.gz HAOHVEXJISYMIO-UHFFFAOYSA-N 2 2 396.535 3.479 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC000051509280 1405822808 /nfs/dbraw/zinc/82/28/08/1405822808.db2.gz INPPHBCYITZVBG-UHFFFAOYSA-N 2 2 383.561 3.149 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCc3sccc3C2)CC1 ZINC000051509280 1405822812 /nfs/dbraw/zinc/82/28/12/1405822812.db2.gz INPPHBCYITZVBG-UHFFFAOYSA-N 2 2 383.561 3.149 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000051509280 1405822816 /nfs/dbraw/zinc/82/28/16/1405822816.db2.gz INPPHBCYITZVBG-UHFFFAOYSA-N 2 2 383.561 3.149 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000051509280 1405822819 /nfs/dbraw/zinc/82/28/19/1405822819.db2.gz INPPHBCYITZVBG-UHFFFAOYSA-N 2 2 383.561 3.149 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCc3sccc3C2)CC1 ZINC000051530850 1405827046 /nfs/dbraw/zinc/82/70/46/1405827046.db2.gz GKJSXIJZNMMFJX-UHFFFAOYSA-N 2 2 383.561 3.195 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCc3sccc3C2)CC1 ZINC000051530850 1405827050 /nfs/dbraw/zinc/82/70/50/1405827050.db2.gz GKJSXIJZNMMFJX-UHFFFAOYSA-N 2 2 383.561 3.195 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000051755441 1405859980 /nfs/dbraw/zinc/85/99/80/1405859980.db2.gz ZIWYKYGMRYHVMA-QGZVFWFLSA-N 2 2 388.537 3.405 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1C ZINC000051755485 1405860138 /nfs/dbraw/zinc/86/01/38/1405860138.db2.gz GSYGXPIEHLSIHA-GOSISDBHSA-N 2 2 386.496 3.326 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C ZINC000051755070 1405860155 /nfs/dbraw/zinc/86/01/55/1405860155.db2.gz CROJGRQDWCHGPV-HXUWFJFHSA-N 2 2 382.508 3.343 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1C ZINC000051755728 1405860528 /nfs/dbraw/zinc/86/05/28/1405860528.db2.gz JKPYYHBRZXDQPT-UHFFFAOYSA-N 2 2 396.535 3.343 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1C ZINC000051755728 1405860529 /nfs/dbraw/zinc/86/05/29/1405860529.db2.gz JKPYYHBRZXDQPT-UHFFFAOYSA-N 2 2 396.535 3.343 20 0 GGADLP Cc1ccc(C2=CCN(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CC2)cc1 ZINC000051759097 1405860539 /nfs/dbraw/zinc/86/05/39/1405860539.db2.gz GXJAKYVLCVAIEH-UHFFFAOYSA-N 2 2 396.579 3.352 20 0 GGADLP CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759506 1405860574 /nfs/dbraw/zinc/86/05/74/1405860574.db2.gz YVYKBZAQEKDUBF-UHFFFAOYSA-N 2 2 399.004 3.492 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N(CCCc2ccccc2)CC[NH+](C)C)c1C ZINC000051756066 1405860619 /nfs/dbraw/zinc/86/06/19/1405860619.db2.gz JYTIHPFUWHHSSQ-UHFFFAOYSA-N 2 2 398.551 3.413 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3cccs3)CC2)CC1 ZINC000051759569 1405860735 /nfs/dbraw/zinc/86/07/35/1405860735.db2.gz RJQABFJAWYDDDJ-GOSISDBHSA-N 2 2 376.570 3.153 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCCC[C@@H]3C(C)(C)C)CC2)CC1 ZINC000051758622 1405860834 /nfs/dbraw/zinc/86/08/34/1405860834.db2.gz NIDICQMZSKIXOP-PMACEKPBSA-N 2 2 378.605 3.449 20 0 GGADLP C[C@@H](Cc1ccccc1Cl)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759969 1405861250 /nfs/dbraw/zinc/86/12/50/1405861250.db2.gz ZGUGAJKBMCRXLX-INIZCTEOSA-N 2 2 392.975 3.129 20 0 GGADLP CCN(C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)c1ccc(F)cc1 ZINC000051761395 1405861429 /nfs/dbraw/zinc/86/14/29/1405861429.db2.gz ZHNJDMRJRTUJLP-KRWDZBQOSA-N 2 2 390.547 3.477 20 0 GGADLP C[C@@H](c1cc(F)ccc1F)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777864 1405862741 /nfs/dbraw/zinc/86/27/41/1405862741.db2.gz JFLDVKDUOFVXFC-HNNXBMFYSA-N 2 2 394.510 3.226 20 0 GGADLP Cc1cccc([C@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000051777800 1405862792 /nfs/dbraw/zinc/86/27/92/1405862792.db2.gz WLSWBMGUUYAEOZ-JOCHJYFZSA-N 2 2 384.568 3.400 20 0 GGADLP C[C@H]1CCC[C@@](CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)([NH+](C)C)C1 ZINC000052522464 1406073513 /nfs/dbraw/zinc/07/35/13/1406073513.db2.gz IFXQXAUWMHWRPJ-WMZHIEFXSA-N 2 2 397.567 3.284 20 0 GGADLP C[C@@H]1CCC[C@](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)([NH+](C)C)C1 ZINC000052527924 1406074532 /nfs/dbraw/zinc/07/45/32/1406074532.db2.gz BJCARZMKFPBQLG-GCJKJVERSA-N 2 2 383.540 3.241 20 0 GGADLP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000056764440 1407424238 /nfs/dbraw/zinc/42/42/38/1407424238.db2.gz DQZXCHGVJABNLE-UHFFFAOYSA-N 2 2 393.535 3.464 20 0 GGADLP C[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000056895633 1407469003 /nfs/dbraw/zinc/46/90/03/1407469003.db2.gz KOUWDWCUWZQMIQ-GOSISDBHSA-N 2 2 389.503 3.118 20 0 GGADLP C[C@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000056895633 1407469012 /nfs/dbraw/zinc/46/90/12/1407469012.db2.gz KOUWDWCUWZQMIQ-GOSISDBHSA-N 2 2 389.503 3.118 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000056937531 1407478784 /nfs/dbraw/zinc/47/87/84/1407478784.db2.gz ACLFRORERISGAG-IBGZPJMESA-N 2 2 390.528 3.017 20 0 GGADLP CN(CC[NH+](C)C)C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000176323871 1428244854 /nfs/dbraw/zinc/24/48/54/1428244854.db2.gz VMRNHLMWLOILSW-UHFFFAOYSA-N 2 2 391.519 3.301 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000057376531 1407600165 /nfs/dbraw/zinc/60/01/65/1407600165.db2.gz DUTOBSWKONJHFO-LJQANCHMSA-N 2 2 383.540 3.395 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCCCn2cc[nH+]c2)C1 ZINC000057376531 1407600174 /nfs/dbraw/zinc/60/01/74/1407600174.db2.gz DUTOBSWKONJHFO-LJQANCHMSA-N 2 2 383.540 3.395 20 0 GGADLP COc1ccc([C@@H](CNC(=O)NCCCCn2cc[nH+]c2)[NH+]2CCCCC2)cc1 ZINC000057378857 1407601455 /nfs/dbraw/zinc/60/14/55/1407601455.db2.gz HFWNJNORVLQJAO-OAQYLSRUSA-N 2 2 399.539 3.198 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1C ZINC000057612524 1407665490 /nfs/dbraw/zinc/66/54/90/1407665490.db2.gz RDXLUOHGNMBBGB-QGZVFWFLSA-N 2 2 376.526 3.213 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000057612772 1407665588 /nfs/dbraw/zinc/66/55/88/1407665588.db2.gz CQYYJWUJLLPISV-IYBDPMFKSA-N 2 2 376.545 3.216 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000057612772 1407665598 /nfs/dbraw/zinc/66/55/98/1407665598.db2.gz CQYYJWUJLLPISV-IYBDPMFKSA-N 2 2 376.545 3.216 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c1C ZINC000057616732 1407668192 /nfs/dbraw/zinc/66/81/92/1407668192.db2.gz BJJGXRQNUVGGCY-LJQANCHMSA-N 2 2 388.487 3.290 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000057618689 1407669298 /nfs/dbraw/zinc/66/92/98/1407669298.db2.gz XECGGXXPBCSLKI-HLLBOEOZSA-N 2 2 376.545 3.215 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000057618689 1407669310 /nfs/dbraw/zinc/66/93/10/1407669310.db2.gz XECGGXXPBCSLKI-HLLBOEOZSA-N 2 2 376.545 3.215 20 0 GGADLP CC(C)[C@@H](CNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[NH+]1CCC(C)CC1 ZINC000057783503 1407715374 /nfs/dbraw/zinc/71/53/74/1407715374.db2.gz LNEOJQFHSVBXMB-HXUWFJFHSA-N 2 2 387.572 3.238 20 0 GGADLP C[C@H]1CCC[C@@](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)([NH+](C)C)C1 ZINC000057819075 1407727820 /nfs/dbraw/zinc/72/78/20/1407727820.db2.gz PPACYBMGRQHWOX-PGRDOPGGSA-N 2 2 387.572 3.382 20 0 GGADLP C[C@@H]1CCC[C@](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)([NH+](C)C)C1 ZINC000057819076 1407728740 /nfs/dbraw/zinc/72/87/40/1407728740.db2.gz PPACYBMGRQHWOX-GCJKJVERSA-N 2 2 387.572 3.382 20 0 GGADLP C[C@H]1CCC[C@](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)([NH+](C)C)C1 ZINC000057819905 1407728798 /nfs/dbraw/zinc/72/87/98/1407728798.db2.gz BDLZEBKJEOKINI-AVRDEDQJSA-N 2 2 383.540 3.241 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000057843929 1407736393 /nfs/dbraw/zinc/73/63/93/1407736393.db2.gz WCZOTDLPLCIBPY-UHFFFAOYSA-N 2 2 376.508 3.006 20 0 GGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nnnn2-c2ccccc2)CC1 ZINC000057843929 1407736396 /nfs/dbraw/zinc/73/63/96/1407736396.db2.gz WCZOTDLPLCIBPY-UHFFFAOYSA-N 2 2 376.508 3.006 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[N@@H+](CC)C3)c2C1 ZINC000058275701 1407805594 /nfs/dbraw/zinc/80/55/94/1407805594.db2.gz WTGPIMJHJOYKPW-KRWDZBQOSA-N 2 2 380.536 3.075 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[N@H+](CC)C3)c2C1 ZINC000058275701 1407805598 /nfs/dbraw/zinc/80/55/98/1407805598.db2.gz WTGPIMJHJOYKPW-KRWDZBQOSA-N 2 2 380.536 3.075 20 0 GGADLP CC[NH+]1CCC[C@@H](CNC(=O)c2c3ccccc3nc3c2C[N@H+](CC)CC3)C1 ZINC000058275701 1407805601 /nfs/dbraw/zinc/80/56/01/1407805601.db2.gz WTGPIMJHJOYKPW-KRWDZBQOSA-N 2 2 380.536 3.075 20 0 GGADLP CC[NH+]1CCC[C@@H](CNC(=O)c2c3ccccc3nc3c2C[N@@H+](CC)CC3)C1 ZINC000058275701 1407805602 /nfs/dbraw/zinc/80/56/02/1407805602.db2.gz WTGPIMJHJOYKPW-KRWDZBQOSA-N 2 2 380.536 3.075 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1C ZINC000058482799 1407835228 /nfs/dbraw/zinc/83/52/28/1407835228.db2.gz QLOQTZXMSHSLAX-LJQANCHMSA-N 2 2 376.545 3.359 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000058482828 1407835406 /nfs/dbraw/zinc/83/54/06/1407835406.db2.gz ZECNIFOXKQXFAB-SFHVURJKSA-N 2 2 386.496 3.279 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)c1cccs1 ZINC000058782372 1407880011 /nfs/dbraw/zinc/88/00/11/1407880011.db2.gz LDWKIQOBKIXUTL-HKUYNNGSSA-N 2 2 389.590 3.257 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)Cc1ccccc1 ZINC000058784085 1407880515 /nfs/dbraw/zinc/88/05/15/1407880515.db2.gz OOASZVNADGYJDA-FGZHOGPDSA-N 2 2 397.588 3.066 20 0 GGADLP C[NH+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c1 ZINC000058796076 1407882908 /nfs/dbraw/zinc/88/29/08/1407882908.db2.gz HBOLGAMVMHGHOW-NRFANRHFSA-N 2 2 383.561 3.155 20 0 GGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058848931 1407889598 /nfs/dbraw/zinc/88/95/98/1407889598.db2.gz UKTWDGOEYYTXPO-YOUFYPILSA-N 2 2 389.609 3.259 20 0 GGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1 ZINC000058848931 1407889601 /nfs/dbraw/zinc/88/96/01/1407889601.db2.gz UKTWDGOEYYTXPO-YOUFYPILSA-N 2 2 389.609 3.259 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)CC(C)C ZINC000059297217 1407918687 /nfs/dbraw/zinc/91/86/87/1407918687.db2.gz NDIWUGNQSXHFLF-GOSISDBHSA-N 2 2 380.602 3.332 20 0 GGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000060368431 1407962921 /nfs/dbraw/zinc/96/29/21/1407962921.db2.gz PVRMKBJGZGSHIM-OAGGEKHMSA-N 2 2 395.494 3.113 20 0 GGADLP CC[C@H](Cc1ccccc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000176381913 1428286644 /nfs/dbraw/zinc/28/66/44/1428286644.db2.gz XTOPWRYWBHISTQ-OAQYLSRUSA-N 2 2 386.584 3.208 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061788969 1408175856 /nfs/dbraw/zinc/17/58/56/1408175856.db2.gz VUXFCFPNVGHVQC-UHFFFAOYSA-N 2 2 385.537 3.254 20 0 GGADLP C[N@H+](CCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000061913725 1408190950 /nfs/dbraw/zinc/19/09/50/1408190950.db2.gz YMTRJPOSFLIDFW-UHFFFAOYSA-N 2 2 383.540 3.385 20 0 GGADLP C[N@@H+](CCCNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C1CCCCC1 ZINC000061913725 1408190955 /nfs/dbraw/zinc/19/09/55/1408190955.db2.gz YMTRJPOSFLIDFW-UHFFFAOYSA-N 2 2 383.540 3.385 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000061907943 1408191040 /nfs/dbraw/zinc/19/10/40/1408191040.db2.gz KEZFRAZBAYUKCU-UHFFFAOYSA-N 2 2 381.524 3.133 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000061907943 1408191046 /nfs/dbraw/zinc/19/10/46/1408191046.db2.gz KEZFRAZBAYUKCU-UHFFFAOYSA-N 2 2 381.524 3.133 20 0 GGADLP C[C@H]1CCC[C@@](CNC(=O)N2CC[NH+](Cc3cccs3)CC2)([NH+](C)C)C1 ZINC000062647819 1408287751 /nfs/dbraw/zinc/28/77/51/1408287751.db2.gz SKHGOJIWLHAIFE-FXAWDEMLSA-N 2 2 378.586 3.086 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063331973 1408338912 /nfs/dbraw/zinc/33/89/12/1408338912.db2.gz LBELPZCENUXBNA-UHFFFAOYSA-N 2 2 395.551 3.385 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464053 1408358904 /nfs/dbraw/zinc/35/89/04/1408358904.db2.gz QZVUPTLONJNHBB-FQEVSTJZSA-N 2 2 381.524 3.095 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063464053 1408358909 /nfs/dbraw/zinc/35/89/09/1408358909.db2.gz QZVUPTLONJNHBB-FQEVSTJZSA-N 2 2 381.524 3.095 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cnc(C(C)(C)C)s3)cc2)CC1 ZINC000063521145 1408366691 /nfs/dbraw/zinc/36/66/91/1408366691.db2.gz YUZKRQMCTNJMIX-UHFFFAOYSA-N 2 2 386.565 3.118 20 0 GGADLP O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000064026488 1408469203 /nfs/dbraw/zinc/46/92/03/1408469203.db2.gz PNAQKVCJRUPZJZ-UHFFFAOYSA-N 2 2 393.531 3.045 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000064227427 1408514903 /nfs/dbraw/zinc/51/49/03/1408514903.db2.gz HRPLYJPFDHVERE-UHFFFAOYSA-N 2 2 377.492 3.323 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000064227427 1408514915 /nfs/dbraw/zinc/51/49/15/1408514915.db2.gz HRPLYJPFDHVERE-UHFFFAOYSA-N 2 2 377.492 3.323 20 0 GGADLP O=C(NCCNc1cccc[nH+]1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000064237940 1408519202 /nfs/dbraw/zinc/51/92/02/1408519202.db2.gz YWVKOGWFUCYSQQ-UHFFFAOYSA-N 2 2 381.524 3.369 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1[nH+]cc(C)c(OC)c1C)Cc1ccccc1 ZINC000065304255 1408660394 /nfs/dbraw/zinc/66/03/94/1408660394.db2.gz QNFUOMOSESWQLD-HXUWFJFHSA-N 2 2 398.551 3.459 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C ZINC000065304144 1408660569 /nfs/dbraw/zinc/66/05/69/1408660569.db2.gz AJKFHVSPWIIXQI-IBGZPJMESA-N 2 2 382.508 3.171 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1C ZINC000065304144 1408660578 /nfs/dbraw/zinc/66/05/78/1408660578.db2.gz AJKFHVSPWIIXQI-IBGZPJMESA-N 2 2 382.508 3.171 20 0 GGADLP CCc1ccc([C@H](CNC(=O)NCc2[nH+]cc(C)c(OC)c2C)[NH+](C)C)cc1 ZINC000065388392 1408664882 /nfs/dbraw/zinc/66/48/82/1408664882.db2.gz GGIKVRKOLKKOBR-FQEVSTJZSA-N 2 2 384.524 3.372 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065445239 1408670638 /nfs/dbraw/zinc/67/06/38/1408670638.db2.gz YLWIGHLXVKAZNG-UHFFFAOYSA-N 2 2 399.583 3.479 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccco1 ZINC000065482597 1408676686 /nfs/dbraw/zinc/67/66/86/1408676686.db2.gz SFELHTJTCRTQII-GOSISDBHSA-N 2 2 390.553 3.251 20 0 GGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000065549441 1408687589 /nfs/dbraw/zinc/68/75/89/1408687589.db2.gz VTGQZTAFGBCDQP-GOSISDBHSA-N 2 2 387.572 3.382 20 0 GGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000065549441 1408687592 /nfs/dbraw/zinc/68/75/92/1408687592.db2.gz VTGQZTAFGBCDQP-GOSISDBHSA-N 2 2 387.572 3.382 20 0 GGADLP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000065550029 1408687692 /nfs/dbraw/zinc/68/76/92/1408687692.db2.gz ANFPVAYBJJVXSO-GOSISDBHSA-N 2 2 383.540 3.241 20 0 GGADLP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000065550029 1408687696 /nfs/dbraw/zinc/68/76/96/1408687696.db2.gz ANFPVAYBJJVXSO-GOSISDBHSA-N 2 2 383.540 3.241 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000065696522 1408713372 /nfs/dbraw/zinc/71/33/72/1408713372.db2.gz MTZDVQPAGZDTHJ-KRWDZBQOSA-N 2 2 397.445 3.284 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000065937619 1408758604 /nfs/dbraw/zinc/75/86/04/1408758604.db2.gz VQUNIDTZLXMJOV-UHFFFAOYSA-N 2 2 398.457 3.414 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000066568239 1408858692 /nfs/dbraw/zinc/85/86/92/1408858692.db2.gz UEFUOCYMSADFSE-UHFFFAOYSA-N 2 2 396.535 3.108 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000066568286 1408858770 /nfs/dbraw/zinc/85/87/70/1408858770.db2.gz QBHAMNBSPBNRFB-UHFFFAOYSA-N 2 2 396.535 3.108 20 0 GGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000066597291 1408863429 /nfs/dbraw/zinc/86/34/29/1408863429.db2.gz NTVHYELMXIYFFF-NRFANRHFSA-N 2 2 383.540 3.385 20 0 GGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000066597291 1408863431 /nfs/dbraw/zinc/86/34/31/1408863431.db2.gz NTVHYELMXIYFFF-NRFANRHFSA-N 2 2 383.540 3.385 20 0 GGADLP CCCCn1nc(C)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1Cl ZINC000066876882 1408939952 /nfs/dbraw/zinc/93/99/52/1408939952.db2.gz PGEPCZZSCYGOGO-UHFFFAOYSA-N 2 2 390.963 3.082 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000066890887 1408943016 /nfs/dbraw/zinc/94/30/16/1408943016.db2.gz FBBSPWIMKKNSJP-IBGZPJMESA-N 2 2 379.464 3.102 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000066890750 1408943328 /nfs/dbraw/zinc/94/33/28/1408943328.db2.gz ZLCLTKOPOJAIBJ-HXUWFJFHSA-N 2 2 381.455 3.114 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[NH+](C)C)cc1 ZINC000067531945 1409148480 /nfs/dbraw/zinc/14/84/80/1409148480.db2.gz OQRAVGRIBUWTRJ-OAQYLSRUSA-N 2 2 395.482 3.422 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000067589147 1409177553 /nfs/dbraw/zinc/17/75/53/1409177553.db2.gz GQRKQYZRWWSBKK-LJQANCHMSA-N 2 2 397.454 3.241 20 0 GGADLP CC(C)c1ccc(OCCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000067614308 1409188289 /nfs/dbraw/zinc/18/82/89/1409188289.db2.gz LNFHXSQBMSWCDG-UHFFFAOYSA-N 2 2 375.557 3.063 20 0 GGADLP CC(C)c1ccc(OCCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000067614308 1409188296 /nfs/dbraw/zinc/18/82/96/1409188296.db2.gz LNFHXSQBMSWCDG-UHFFFAOYSA-N 2 2 375.557 3.063 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccc(F)cc1 ZINC000067646183 1409196457 /nfs/dbraw/zinc/19/64/57/1409196457.db2.gz FMUIRJYYFZKFOQ-HXUWFJFHSA-N 2 2 399.445 3.253 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000069368957 1409623570 /nfs/dbraw/zinc/62/35/70/1409623570.db2.gz ALHQGFXDQPHFHB-NRFANRHFSA-N 2 2 383.561 3.155 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000069368954 1409623730 /nfs/dbraw/zinc/62/37/30/1409623730.db2.gz ALHQGFXDQPHFHB-OAQYLSRUSA-N 2 2 383.561 3.155 20 0 GGADLP CCCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000069422907 1409633488 /nfs/dbraw/zinc/63/34/88/1409633488.db2.gz ZAJIVKQFAHOKOT-FQEVSTJZSA-N 2 2 375.582 3.157 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000069631918 1409666657 /nfs/dbraw/zinc/66/66/57/1409666657.db2.gz ZECNIFOXKQXFAB-GOSISDBHSA-N 2 2 386.496 3.279 20 0 GGADLP COc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1OC(F)F ZINC000069747592 1409690734 /nfs/dbraw/zinc/69/07/34/1409690734.db2.gz YVWRDWINQZNIOW-UHFFFAOYSA-N 2 2 392.446 3.419 20 0 GGADLP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ccc1OC(F)F ZINC000069747559 1409691057 /nfs/dbraw/zinc/69/10/57/1409691057.db2.gz NWFGCGJPJJQHSI-UHFFFAOYSA-N 2 2 392.446 3.419 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccccc3OC(F)F)cc2)CC1 ZINC000069785266 1409698432 /nfs/dbraw/zinc/69/84/32/1409698432.db2.gz MOOBHCBZZOCDCK-UHFFFAOYSA-N 2 2 375.463 3.325 20 0 GGADLP C[C@H]1C[C@@H]1c1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)o1 ZINC000069783400 1409698519 /nfs/dbraw/zinc/69/85/19/1409698519.db2.gz LNXGCSUCAYPSRA-UWJYYQICSA-N 2 2 397.519 3.354 20 0 GGADLP C[C@H]1C[C@H]1c1ccc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)o1 ZINC000069783403 1409698836 /nfs/dbraw/zinc/69/88/36/1409698836.db2.gz LNXGCSUCAYPSRA-LAUBAEHRSA-N 2 2 397.519 3.354 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1 ZINC000069973717 1409733422 /nfs/dbraw/zinc/73/34/22/1409733422.db2.gz KXFDSBHDGGONPI-NHCUHLMSSA-N 2 2 383.561 3.196 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1cccs1 ZINC000069975719 1409733916 /nfs/dbraw/zinc/73/39/16/1409733916.db2.gz LDWKIQOBKIXUTL-PKOBYXMFSA-N 2 2 389.590 3.257 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccn(-c4cc[nH+]cc4)n3)cc2)C[C@@H](C)O1 ZINC000071028414 1409814165 /nfs/dbraw/zinc/81/41/65/1409814165.db2.gz JCWODPKTKPSLGG-IAGOWNOFSA-N 2 2 391.475 3.129 20 0 GGADLP COc1ccc([C@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)cc1 ZINC000071798703 1409824171 /nfs/dbraw/zinc/82/41/71/1409824171.db2.gz RBLIIKLMPYYQPT-QHCPKHFHSA-N 2 2 392.503 3.044 20 0 GGADLP c1ccc(C(c2ccccc2)[NH+]2CCN(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000072024446 1409838152 /nfs/dbraw/zinc/83/81/52/1409838152.db2.gz PYEARZQZGUORBW-UHFFFAOYSA-N 2 2 379.548 3.116 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868825 1409854537 /nfs/dbraw/zinc/85/45/37/1409854537.db2.gz XBCYVFUUSDQYKQ-OFNKIYASSA-N 2 2 379.548 3.487 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868825 1409854541 /nfs/dbraw/zinc/85/45/41/1409854541.db2.gz XBCYVFUUSDQYKQ-OFNKIYASSA-N 2 2 379.548 3.487 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868825 1409854542 /nfs/dbraw/zinc/85/45/42/1409854542.db2.gz XBCYVFUUSDQYKQ-OFNKIYASSA-N 2 2 379.548 3.487 20 0 GGADLP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868825 1409854543 /nfs/dbraw/zinc/85/45/43/1409854543.db2.gz XBCYVFUUSDQYKQ-OFNKIYASSA-N 2 2 379.548 3.487 20 0 GGADLP Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868574 1409854714 /nfs/dbraw/zinc/85/47/14/1409854714.db2.gz ZJXZKUYHAZIFDN-UNMCSNQZSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868574 1409854716 /nfs/dbraw/zinc/85/47/16/1409854716.db2.gz ZJXZKUYHAZIFDN-UNMCSNQZSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868574 1409854719 /nfs/dbraw/zinc/85/47/19/1409854719.db2.gz ZJXZKUYHAZIFDN-UNMCSNQZSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868574 1409854721 /nfs/dbraw/zinc/85/47/21/1409854721.db2.gz ZJXZKUYHAZIFDN-UNMCSNQZSA-N 2 2 379.548 3.454 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000073209295 1409858590 /nfs/dbraw/zinc/85/85/90/1409858590.db2.gz HPPLPQQMWLXLGG-UXHICEINSA-N 2 2 384.568 3.298 20 0 GGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000073209295 1409858594 /nfs/dbraw/zinc/85/85/94/1409858594.db2.gz HPPLPQQMWLXLGG-UXHICEINSA-N 2 2 384.568 3.298 20 0 GGADLP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000075007966 1409880107 /nfs/dbraw/zinc/88/01/07/1409880107.db2.gz ZZAACZMPXZXNGH-KRWDZBQOSA-N 2 2 379.520 3.284 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)c1ccsc1 ZINC000076057474 1409884847 /nfs/dbraw/zinc/88/48/47/1409884847.db2.gz ATCNGBKIGIQOOU-WBVHZDCISA-N 2 2 375.542 3.443 20 0 GGADLP CC[N@@H+](CC(=O)N(C)Cc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108878 1409885424 /nfs/dbraw/zinc/88/54/24/1409885424.db2.gz PLBARLHURKXUOT-UHFFFAOYSA-N 2 2 380.536 3.279 20 0 GGADLP CC[N@H+](CC(=O)N(C)Cc1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000076108878 1409885427 /nfs/dbraw/zinc/88/54/27/1409885427.db2.gz PLBARLHURKXUOT-UHFFFAOYSA-N 2 2 380.536 3.279 20 0 GGADLP CC(C)COc1ccccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000077202284 1409894692 /nfs/dbraw/zinc/89/46/92/1409894692.db2.gz YFKGKZPRHQAKMQ-UHFFFAOYSA-N 2 2 376.545 3.211 20 0 GGADLP CC(C)COc1ccccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000077202284 1409894694 /nfs/dbraw/zinc/89/46/94/1409894694.db2.gz YFKGKZPRHQAKMQ-UHFFFAOYSA-N 2 2 376.545 3.211 20 0 GGADLP CC(C)N(C)c1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000077203932 1409894991 /nfs/dbraw/zinc/89/49/91/1409894991.db2.gz ORKDFJLMRVBAEY-UHFFFAOYSA-N 2 2 375.561 3.021 20 0 GGADLP CC(C)N(C)c1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000077203932 1409894992 /nfs/dbraw/zinc/89/49/92/1409894992.db2.gz ORKDFJLMRVBAEY-UHFFFAOYSA-N 2 2 375.561 3.021 20 0 GGADLP Fc1ccccc1-c1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cs1 ZINC000077377404 1409896079 /nfs/dbraw/zinc/89/60/79/1409896079.db2.gz WQWWARSBIFMXJD-UHFFFAOYSA-N 2 2 375.513 3.493 20 0 GGADLP CC[NH+](CC)[C@H](CNc1nc(N)c2cc(OC)c(OC)cc2[nH+]1)c1ccco1 ZINC000078878184 1409940030 /nfs/dbraw/zinc/94/00/30/1409940030.db2.gz JHFZJRBHVWUTRF-OAHLLOKOSA-N 2 2 385.468 3.317 20 0 GGADLP CCc1ccc(C(C)(C)CNC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000080215282 1410003375 /nfs/dbraw/zinc/00/33/75/1410003375.db2.gz NTGWQYHYESAFHI-UHFFFAOYSA-N 2 2 388.600 3.194 20 0 GGADLP CCc1ccc(C(C)(C)CNC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000080215282 1410003382 /nfs/dbraw/zinc/00/33/82/1410003382.db2.gz NTGWQYHYESAFHI-UHFFFAOYSA-N 2 2 388.600 3.194 20 0 GGADLP CC(C)C1CCC([NH+]2CCN(C(=O)NCCCCn3cc[nH+]c3)CC2)CC1 ZINC000084636672 1410037752 /nfs/dbraw/zinc/03/77/52/1410037752.db2.gz WJQIJDXJIAMDNU-UHFFFAOYSA-N 2 2 375.561 3.205 20 0 GGADLP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000090525618 1410063932 /nfs/dbraw/zinc/06/39/32/1410063932.db2.gz UIZHQDBFPNUYRZ-DNQXCXABSA-N 3 2 385.596 3.051 20 0 GGADLP Cc1ccc([C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000091313932 1410072384 /nfs/dbraw/zinc/07/23/84/1410072384.db2.gz AXZVGNUHJKBRIO-QHCPKHFHSA-N 2 2 378.520 3.170 20 0 GGADLP Cc1ccc([C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000091313934 1410072729 /nfs/dbraw/zinc/07/27/29/1410072729.db2.gz AXZVGNUHJKBRIO-HSZRJFAPSA-N 2 2 378.520 3.170 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)c1nc2ccccc2n1C ZINC000091288711 1410072821 /nfs/dbraw/zinc/07/28/21/1410072821.db2.gz HNWIHINFYBQYQH-GOSISDBHSA-N 2 2 377.536 3.172 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1nc2ccccc2n1C ZINC000091288711 1410072827 /nfs/dbraw/zinc/07/28/27/1410072827.db2.gz HNWIHINFYBQYQH-GOSISDBHSA-N 2 2 377.536 3.172 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091343554 1410073560 /nfs/dbraw/zinc/07/35/60/1410073560.db2.gz GAZKCUWJHKUTDG-LSDHHAIUSA-N 2 2 376.932 3.378 20 0 GGADLP C[NH+]1CCC[C@H](CNc2nc(NC[C@@H]3CCC[N@@H+](C)C3)[nH+]c3ccccc32)C1 ZINC000091482886 1410074136 /nfs/dbraw/zinc/07/41/36/1410074136.db2.gz ZJPSHKASOFWFHJ-MSOLQXFVSA-N 3 2 382.556 3.137 20 0 GGADLP C[NH+]1CCC[C@H](CNc2nc(NC[C@@H]3CCC[N@H+](C)C3)[nH+]c3ccccc32)C1 ZINC000091482886 1410074142 /nfs/dbraw/zinc/07/41/42/1410074142.db2.gz ZJPSHKASOFWFHJ-MSOLQXFVSA-N 3 2 382.556 3.137 20 0 GGADLP C[NH+]1CCC[C@@H](CNc2nc(NC[C@H]3CCC[N@H+](C)C3)c3ccccc3[nH+]2)C1 ZINC000091482886 1410074144 /nfs/dbraw/zinc/07/41/44/1410074144.db2.gz ZJPSHKASOFWFHJ-MSOLQXFVSA-N 3 2 382.556 3.137 20 0 GGADLP C[NH+]1CCC[C@@H](CNc2nc(NC[C@H]3CCC[N@@H+](C)C3)c3ccccc3[nH+]2)C1 ZINC000091482886 1410074149 /nfs/dbraw/zinc/07/41/49/1410074149.db2.gz ZJPSHKASOFWFHJ-MSOLQXFVSA-N 3 2 382.556 3.137 20 0 GGADLP C[C@@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000091703360 1410077070 /nfs/dbraw/zinc/07/70/70/1410077070.db2.gz DPWGJQNNJVYRLN-KRWDZBQOSA-N 2 2 384.549 3.262 20 0 GGADLP C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000091703360 1410077076 /nfs/dbraw/zinc/07/70/76/1410077076.db2.gz DPWGJQNNJVYRLN-KRWDZBQOSA-N 2 2 384.549 3.262 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccncc2)CC1 ZINC000091986492 1410095855 /nfs/dbraw/zinc/09/58/55/1410095855.db2.gz UKUDDOXVNQIVNL-IBGZPJMESA-N 2 2 380.536 3.164 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccncc2)CC1 ZINC000091986492 1410095861 /nfs/dbraw/zinc/09/58/61/1410095861.db2.gz UKUDDOXVNQIVNL-IBGZPJMESA-N 2 2 380.536 3.164 20 0 GGADLP Cn1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000092071364 1410104488 /nfs/dbraw/zinc/10/44/88/1410104488.db2.gz QRQZVKQDGHFKCT-QGZVFWFLSA-N 2 2 393.491 3.351 20 0 GGADLP Cn1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000092071364 1410104494 /nfs/dbraw/zinc/10/44/94/1410104494.db2.gz QRQZVKQDGHFKCT-QGZVFWFLSA-N 2 2 393.491 3.351 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092389474 1410149070 /nfs/dbraw/zinc/14/90/70/1410149070.db2.gz XZWUKLBAWACUCY-GOSISDBHSA-N 3 2 378.992 3.302 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092389474 1410149079 /nfs/dbraw/zinc/14/90/79/1410149079.db2.gz XZWUKLBAWACUCY-GOSISDBHSA-N 3 2 378.992 3.302 20 0 GGADLP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092389476 1410149807 /nfs/dbraw/zinc/14/98/07/1410149807.db2.gz XZWUKLBAWACUCY-SFHVURJKSA-N 3 2 378.992 3.302 20 0 GGADLP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)C1 ZINC000092389476 1410149812 /nfs/dbraw/zinc/14/98/12/1410149812.db2.gz XZWUKLBAWACUCY-SFHVURJKSA-N 3 2 378.992 3.302 20 0 GGADLP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092389207 1410149844 /nfs/dbraw/zinc/14/98/44/1410149844.db2.gz QJPUKSADDUNOQH-MRXNPFEDSA-N 3 2 375.948 3.023 20 0 GGADLP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000092587984 1410176815 /nfs/dbraw/zinc/17/68/15/1410176815.db2.gz GWXGCLMCVPSOQE-VQTJNVASSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000092587984 1410176826 /nfs/dbraw/zinc/17/68/26/1410176826.db2.gz GWXGCLMCVPSOQE-VQTJNVASSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000092587984 1410176832 /nfs/dbraw/zinc/17/68/32/1410176832.db2.gz GWXGCLMCVPSOQE-VQTJNVASSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000092587984 1410176846 /nfs/dbraw/zinc/17/68/46/1410176846.db2.gz GWXGCLMCVPSOQE-VQTJNVASSA-N 2 2 387.568 3.240 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000092587734 1410176885 /nfs/dbraw/zinc/17/68/85/1410176885.db2.gz QEVJLFGOFLYGTI-FQEVSTJZSA-N 2 2 390.572 3.007 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000092587734 1410176898 /nfs/dbraw/zinc/17/68/98/1410176898.db2.gz QEVJLFGOFLYGTI-FQEVSTJZSA-N 2 2 390.572 3.007 20 0 GGADLP COCCOc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645348 1410181996 /nfs/dbraw/zinc/18/19/96/1410181996.db2.gz IQMMDELZCGBJBW-UHFFFAOYSA-N 2 2 383.536 3.246 20 0 GGADLP COCCOc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000092645348 1410182007 /nfs/dbraw/zinc/18/20/07/1410182007.db2.gz IQMMDELZCGBJBW-UHFFFAOYSA-N 2 2 383.536 3.246 20 0 GGADLP Cn1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2ccncc2)n1 ZINC000092645342 1410182043 /nfs/dbraw/zinc/18/20/43/1410182043.db2.gz VVVJUCHBKOBXIC-UHFFFAOYSA-N 2 2 390.535 3.016 20 0 GGADLP Cn1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(-c2ccncc2)n1 ZINC000092645342 1410182052 /nfs/dbraw/zinc/18/20/52/1410182052.db2.gz VVVJUCHBKOBXIC-UHFFFAOYSA-N 2 2 390.535 3.016 20 0 GGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000092664668 1410183926 /nfs/dbraw/zinc/18/39/26/1410183926.db2.gz YCIXHTCGXWWIHI-BGYRXZFFSA-N 2 2 381.568 3.171 20 0 GGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000092664668 1410183931 /nfs/dbraw/zinc/18/39/31/1410183931.db2.gz YCIXHTCGXWWIHI-BGYRXZFFSA-N 2 2 381.568 3.171 20 0 GGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000092665363 1410184811 /nfs/dbraw/zinc/18/48/11/1410184811.db2.gz ACISPCJFQZCGHG-ROUUACIJSA-N 2 2 385.531 3.206 20 0 GGADLP CCOc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1OC ZINC000092665211 1410185339 /nfs/dbraw/zinc/18/53/39/1410185339.db2.gz YCQCSGMLLHDGEQ-RTBURBONSA-N 2 2 375.557 3.084 20 0 GGADLP COc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1OC(F)F ZINC000092665403 1410185575 /nfs/dbraw/zinc/18/55/75/1410185575.db2.gz AZNLOCZLPGBSJZ-CALCHBBNSA-N 2 2 397.510 3.287 20 0 GGADLP COc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1OC(F)F ZINC000092665403 1410185585 /nfs/dbraw/zinc/18/55/85/1410185585.db2.gz AZNLOCZLPGBSJZ-CALCHBBNSA-N 2 2 397.510 3.287 20 0 GGADLP COc1cc(C)c(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092665584 1410186314 /nfs/dbraw/zinc/18/63/14/1410186314.db2.gz COAAKAALUQZCMD-KDURUIRLSA-N 2 2 375.557 3.003 20 0 GGADLP COc1cc(C)c(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092665584 1410186320 /nfs/dbraw/zinc/18/63/20/1410186320.db2.gz COAAKAALUQZCMD-KDURUIRLSA-N 2 2 375.557 3.003 20 0 GGADLP COc1cc(C)c(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1OC ZINC000092665592 1410186457 /nfs/dbraw/zinc/18/64/57/1410186457.db2.gz COAAKAALUQZCMD-RTBURBONSA-N 2 2 375.557 3.003 20 0 GGADLP Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(OCC[NH+](C)C)cc3)CC2)c1 ZINC000092759938 1410198278 /nfs/dbraw/zinc/19/82/78/1410198278.db2.gz OQERKEFXUGYOCE-UHFFFAOYSA-N 2 2 396.535 3.285 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](c3nc(C)cs3)C2)CC1 ZINC000092790207 1410201917 /nfs/dbraw/zinc/20/19/17/1410201917.db2.gz WZYQUNDZFYHFLR-HXUWFJFHSA-N 2 2 386.565 3.167 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](c3nc(C)cs3)C2)CC1 ZINC000092790207 1410201923 /nfs/dbraw/zinc/20/19/23/1410201923.db2.gz WZYQUNDZFYHFLR-HXUWFJFHSA-N 2 2 386.565 3.167 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000092812799 1410202895 /nfs/dbraw/zinc/20/28/95/1410202895.db2.gz QCNWLBZKYRSXMQ-FQEVSTJZSA-N 3 2 379.552 3.158 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)CC1 ZINC000092812799 1410202903 /nfs/dbraw/zinc/20/29/03/1410202903.db2.gz QCNWLBZKYRSXMQ-FQEVSTJZSA-N 3 2 379.552 3.158 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000093142042 1410226408 /nfs/dbraw/zinc/22/64/08/1410226408.db2.gz YRRLDGDZQXJXHP-UHFFFAOYSA-N 2 2 381.923 3.245 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C4CCC4)s3)CC2)CC1 ZINC000093142007 1410226429 /nfs/dbraw/zinc/22/64/29/1410226429.db2.gz GWNPJLMONQBMGO-UHFFFAOYSA-N 2 2 390.597 3.177 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(C(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000093216570 1410227170 /nfs/dbraw/zinc/22/71/70/1410227170.db2.gz XYUHDDGYOPMCER-UHFFFAOYSA-N 2 2 375.904 3.393 20 0 GGADLP COc1cc(Br)cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC000093865768 1410276360 /nfs/dbraw/zinc/27/63/60/1410276360.db2.gz IHWIHSFOPPRCRA-OAHLLOKOSA-N 2 2 379.254 3.212 20 0 GGADLP COc1cc(Br)cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1O ZINC000093865768 1410276371 /nfs/dbraw/zinc/27/63/71/1410276371.db2.gz IHWIHSFOPPRCRA-OAHLLOKOSA-N 2 2 379.254 3.212 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[C@H](C)[N@@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000176804322 1428470554 /nfs/dbraw/zinc/47/05/54/1428470554.db2.gz TVHBCPXJBGFBRU-SIKLNZKXSA-N 2 2 392.547 3.386 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[C@H](C)[N@H+](Cc4ccccc4)C3)CC2)[nH+]c1 ZINC000176804322 1428470565 /nfs/dbraw/zinc/47/05/65/1428470565.db2.gz TVHBCPXJBGFBRU-SIKLNZKXSA-N 2 2 392.547 3.386 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccccc1N(C)C ZINC000093943151 1410288096 /nfs/dbraw/zinc/28/80/96/1410288096.db2.gz SJMJBRCYPQCVGC-IBGZPJMESA-N 2 2 383.536 3.314 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccccc1N(C)C ZINC000093943488 1410288176 /nfs/dbraw/zinc/28/81/76/1410288176.db2.gz WBECIIAIGSFADH-LJQANCHMSA-N 2 2 383.536 3.314 20 0 GGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(C)nc3C(C)(C)C)cc2)CC1 ZINC000093947856 1410289166 /nfs/dbraw/zinc/28/91/66/1410289166.db2.gz LXVFTYXBDWRVSQ-UHFFFAOYSA-N 2 2 383.584 3.145 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000098033616 1410399014 /nfs/dbraw/zinc/39/90/14/1410399014.db2.gz SMHOEEFFUGBPEL-NRFANRHFSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000098033616 1410399018 /nfs/dbraw/zinc/39/90/18/1410399018.db2.gz SMHOEEFFUGBPEL-NRFANRHFSA-N 2 2 389.503 3.336 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000098123752 1410428433 /nfs/dbraw/zinc/42/84/33/1410428433.db2.gz SUVNGRBJYSZRSL-UHFFFAOYSA-N 2 2 396.535 3.317 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000098123752 1410428440 /nfs/dbraw/zinc/42/84/40/1410428440.db2.gz SUVNGRBJYSZRSL-UHFFFAOYSA-N 2 2 396.535 3.317 20 0 GGADLP O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101921496 1410525808 /nfs/dbraw/zinc/52/58/08/1410525808.db2.gz FXMCFYQZYXMRGG-LJQANCHMSA-N 2 2 379.439 3.407 20 0 GGADLP O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101921496 1410525824 /nfs/dbraw/zinc/52/58/24/1410525824.db2.gz FXMCFYQZYXMRGG-LJQANCHMSA-N 2 2 379.439 3.407 20 0 GGADLP O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101921492 1410526404 /nfs/dbraw/zinc/52/64/04/1410526404.db2.gz FXMCFYQZYXMRGG-IBGZPJMESA-N 2 2 379.439 3.407 20 0 GGADLP O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000101921492 1410526411 /nfs/dbraw/zinc/52/64/11/1410526411.db2.gz FXMCFYQZYXMRGG-IBGZPJMESA-N 2 2 379.439 3.407 20 0 GGADLP Cc1cccc(C2(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)CCCC2)c1 ZINC000102638792 1410681531 /nfs/dbraw/zinc/68/15/31/1410681531.db2.gz NIOJDXPHOIDPPH-UHFFFAOYSA-N 2 2 383.580 3.482 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn(-c4ccc(F)cc4)c3)cc2)CC1 ZINC000102938736 1410810177 /nfs/dbraw/zinc/81/01/77/1410810177.db2.gz CPOLAIZWULRQKB-UHFFFAOYSA-N 2 2 393.510 3.049 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H](c3ccccc3)C(F)(F)F)CC2)CC1 ZINC000103077368 1410826077 /nfs/dbraw/zinc/82/60/77/1410826077.db2.gz XHYSVMJTQTVMNR-LJQANCHMSA-N 2 2 397.485 3.397 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c1C ZINC000103268536 1410842063 /nfs/dbraw/zinc/84/20/63/1410842063.db2.gz ZKIUXNSCDLXBDI-HXUWFJFHSA-N 2 2 396.535 3.071 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1C ZINC000103268536 1410842065 /nfs/dbraw/zinc/84/20/65/1410842065.db2.gz ZKIUXNSCDLXBDI-HXUWFJFHSA-N 2 2 396.535 3.071 20 0 GGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103300747 1410844307 /nfs/dbraw/zinc/84/43/07/1410844307.db2.gz NOJKDSYXGLFZPK-UHFFFAOYSA-N 2 2 381.524 3.416 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103302052 1410844594 /nfs/dbraw/zinc/84/45/94/1410844594.db2.gz TYNCIEHHLPIZAW-NRFANRHFSA-N 2 2 399.583 3.479 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1cccc(OC)c1 ZINC000103301033 1410844721 /nfs/dbraw/zinc/84/47/21/1410844721.db2.gz JIIZFCWCAXWLCJ-OAQYLSRUSA-N 2 2 399.539 3.321 20 0 GGADLP CC[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000103305273 1410844887 /nfs/dbraw/zinc/84/48/87/1410844887.db2.gz OUCMFTOIOVIZEH-FQEVSTJZSA-N 2 2 381.524 3.067 20 0 GGADLP CC[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000103305273 1410844888 /nfs/dbraw/zinc/84/48/88/1410844888.db2.gz OUCMFTOIOVIZEH-FQEVSTJZSA-N 2 2 381.524 3.067 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)Cc1ccccc1 ZINC000103305046 1410844966 /nfs/dbraw/zinc/84/49/66/1410844966.db2.gz UVMFFFPQDQWDPV-NRFANRHFSA-N 2 2 383.540 3.183 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)c1ccsc1 ZINC000103304861 1410845051 /nfs/dbraw/zinc/84/50/51/1410845051.db2.gz YOCXALJWKRBATH-SFHVURJKSA-N 2 2 375.542 3.374 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C ZINC000103312111 1410846423 /nfs/dbraw/zinc/84/64/23/1410846423.db2.gz ZBSNPZLKXZAFAS-IBGZPJMESA-N 2 2 388.556 3.361 20 0 GGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000103481156 1410862603 /nfs/dbraw/zinc/86/26/03/1410862603.db2.gz XASIRQIUPFUNIC-IRXDYDNUSA-N 2 2 383.536 3.480 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H](c3ccccc3)C3CCC3)CC2)CC1 ZINC000103870125 1410877983 /nfs/dbraw/zinc/87/79/83/1410877983.db2.gz SJIPXBGOPVYTSN-JOCHJYFZSA-N 2 2 384.568 3.386 20 0 GGADLP C[N@H+](CCN1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1)Cc1ccccc1 ZINC000104653252 1410920100 /nfs/dbraw/zinc/92/01/00/1410920100.db2.gz AEOKPMAQCXNIFA-UHFFFAOYSA-N 2 2 399.489 3.022 20 0 GGADLP C[N@@H+](CCN1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1)Cc1ccccc1 ZINC000104653252 1410920132 /nfs/dbraw/zinc/92/01/32/1410920132.db2.gz AEOKPMAQCXNIFA-UHFFFAOYSA-N 2 2 399.489 3.022 20 0 GGADLP O=C(CC[NH2+][C@H](c1ccccc1)C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000104697297 1410932386 /nfs/dbraw/zinc/93/23/86/1410932386.db2.gz ULOFJVQCAIXTBH-HSZRJFAPSA-N 2 2 378.520 3.251 20 0 GGADLP O=C(CC[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000104703484 1410933745 /nfs/dbraw/zinc/93/37/45/1410933745.db2.gz POYQDIDPUXHACC-HSZRJFAPSA-N 2 2 396.510 3.390 20 0 GGADLP O=C(CC[NH2+][C@H](c1ccc(F)cc1)C1CCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000104703490 1410933904 /nfs/dbraw/zinc/93/39/04/1410933904.db2.gz POYQDIDPUXHACC-QHCPKHFHSA-N 2 2 396.510 3.390 20 0 GGADLP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3cc(C[NH+](C)C)ccn3)cc2)C[C@H](C)O1 ZINC000176938508 1428526034 /nfs/dbraw/zinc/52/60/34/1428526034.db2.gz LYUAOPRUZYNYLR-IRXDYDNUSA-N 2 2 382.508 3.005 20 0 GGADLP COc1ccc([C@@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000105092155 1411027258 /nfs/dbraw/zinc/02/72/58/1411027258.db2.gz DYWYLVQBIHDLBS-NRFANRHFSA-N 2 2 390.572 3.060 20 0 GGADLP COc1ccc([C@@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000105092155 1411027268 /nfs/dbraw/zinc/02/72/68/1411027268.db2.gz DYWYLVQBIHDLBS-NRFANRHFSA-N 2 2 390.572 3.060 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000105108252 1411029380 /nfs/dbraw/zinc/02/93/80/1411029380.db2.gz ZRUHIGOZSQCFST-UHFFFAOYSA-N 2 2 388.600 3.194 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000105108252 1411029389 /nfs/dbraw/zinc/02/93/89/1411029389.db2.gz ZRUHIGOZSQCFST-UHFFFAOYSA-N 2 2 388.600 3.194 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105119363 1411030635 /nfs/dbraw/zinc/03/06/35/1411030635.db2.gz UQJVENHSKFTLLJ-NRFANRHFSA-N 2 2 381.524 3.091 20 0 GGADLP C[C@@H](CNC(=O)NCCCCNc1cccc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000105149685 1411035614 /nfs/dbraw/zinc/03/56/14/1411035614.db2.gz KNPJRECGTULNTD-SFHVURJKSA-N 2 2 381.524 3.020 20 0 GGADLP C[C@@H](CNC(=O)NCCCCNc1cccc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000105149685 1411035620 /nfs/dbraw/zinc/03/56/20/1411035620.db2.gz KNPJRECGTULNTD-SFHVURJKSA-N 2 2 381.524 3.020 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000105204660 1411041766 /nfs/dbraw/zinc/04/17/66/1411041766.db2.gz SAGGOZULSLAORN-NRFANRHFSA-N 2 2 386.584 3.467 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000105204660 1411041773 /nfs/dbraw/zinc/04/17/73/1411041773.db2.gz SAGGOZULSLAORN-NRFANRHFSA-N 2 2 386.584 3.467 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000105237047 1411045845 /nfs/dbraw/zinc/04/58/45/1411045845.db2.gz JCGNPOAQACLPBA-UHFFFAOYSA-N 2 2 392.975 3.039 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC000105237047 1411045855 /nfs/dbraw/zinc/04/58/55/1411045855.db2.gz JCGNPOAQACLPBA-UHFFFAOYSA-N 2 2 392.975 3.039 20 0 GGADLP CC1(C)Cc2cc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)ccc2O1 ZINC000105423866 1411065420 /nfs/dbraw/zinc/06/54/20/1411065420.db2.gz RAZWUKHPJGBDEK-UHFFFAOYSA-N 2 2 396.531 3.401 20 0 GGADLP COc1cccc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1OC ZINC000105463035 1411068814 /nfs/dbraw/zinc/06/88/14/1411068814.db2.gz LIZFTLXSFKSDRD-INIZCTEOSA-N 2 2 387.499 3.446 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000105475150 1411070400 /nfs/dbraw/zinc/07/04/00/1411070400.db2.gz KZIWTUMNHALAES-OAHLLOKOSA-N 2 2 398.532 3.233 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000105475150 1411070409 /nfs/dbraw/zinc/07/04/09/1411070409.db2.gz KZIWTUMNHALAES-OAHLLOKOSA-N 2 2 398.532 3.233 20 0 GGADLP COc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000105522159 1411076660 /nfs/dbraw/zinc/07/66/60/1411076660.db2.gz MEXOSQDCKLGBCS-QHCPKHFHSA-N 2 2 393.531 3.177 20 0 GGADLP COc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000105522159 1411076670 /nfs/dbraw/zinc/07/66/70/1411076670.db2.gz MEXOSQDCKLGBCS-QHCPKHFHSA-N 2 2 393.531 3.177 20 0 GGADLP CCc1ccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000106268655 1411187385 /nfs/dbraw/zinc/18/73/85/1411187385.db2.gz KKJSVYVXECIZAI-UHFFFAOYSA-N 2 2 392.547 3.347 20 0 GGADLP CCc1ccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000106268655 1411187398 /nfs/dbraw/zinc/18/73/98/1411187398.db2.gz KKJSVYVXECIZAI-UHFFFAOYSA-N 2 2 392.547 3.347 20 0 GGADLP O=C(COc1ccccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1)N1CCCC1 ZINC000107044480 1411336044 /nfs/dbraw/zinc/33/60/44/1411336044.db2.gz JSDDMVRUFVNEET-UHFFFAOYSA-N 2 2 390.487 3.163 20 0 GGADLP Cc1cc(C)c(C)c(OCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000107237797 1411354018 /nfs/dbraw/zinc/35/40/18/1411354018.db2.gz ZIFWQZHKAWVEBY-UHFFFAOYSA-N 2 2 387.568 3.056 20 0 GGADLP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371586 1411365786 /nfs/dbraw/zinc/36/57/86/1411365786.db2.gz IDVIBODHVDBJEV-AQNXPRMDSA-N 2 2 386.584 3.239 20 0 GGADLP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371586 1411365789 /nfs/dbraw/zinc/36/57/89/1411365789.db2.gz IDVIBODHVDBJEV-AQNXPRMDSA-N 2 2 386.584 3.239 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107371938 1411365803 /nfs/dbraw/zinc/36/58/03/1411365803.db2.gz PXAIBLWLELRCQF-RXVVDRJESA-N 2 2 386.584 3.023 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107371938 1411365809 /nfs/dbraw/zinc/36/58/09/1411365809.db2.gz PXAIBLWLELRCQF-RXVVDRJESA-N 2 2 386.584 3.023 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4ccc(OC)cc4)n3)C2)CC1 ZINC000107371871 1411366311 /nfs/dbraw/zinc/36/63/11/1411366311.db2.gz XVNMRIAKYWFIEB-LJQANCHMSA-N 2 2 386.565 3.031 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4ccc(OC)cc4)n3)C2)CC1 ZINC000107371871 1411366319 /nfs/dbraw/zinc/36/63/19/1411366319.db2.gz XVNMRIAKYWFIEB-LJQANCHMSA-N 2 2 386.565 3.031 20 0 GGADLP CC(C)c1nc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cs1 ZINC000108420694 1411496253 /nfs/dbraw/zinc/49/62/53/1411496253.db2.gz NRTSGDZITCRWBY-SFHVURJKSA-N 2 2 386.565 3.254 20 0 GGADLP CC(C)c1nc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cs1 ZINC000108420694 1411496259 /nfs/dbraw/zinc/49/62/59/1411496259.db2.gz NRTSGDZITCRWBY-SFHVURJKSA-N 2 2 386.565 3.254 20 0 GGADLP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000108421950 1411497093 /nfs/dbraw/zinc/49/70/93/1411497093.db2.gz VDEJFDNQTSPQJX-JOCHJYFZSA-N 2 2 399.579 3.283 20 0 GGADLP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)c1 ZINC000108421950 1411497115 /nfs/dbraw/zinc/49/71/15/1411497115.db2.gz VDEJFDNQTSPQJX-JOCHJYFZSA-N 2 2 399.579 3.283 20 0 GGADLP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000108710320 1411581609 /nfs/dbraw/zinc/58/16/09/1411581609.db2.gz ISZQFRDEHUKSJE-UHFFFAOYSA-N 2 2 393.531 3.119 20 0 GGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000108883795 1411630588 /nfs/dbraw/zinc/63/05/88/1411630588.db2.gz ZLLBAZVYCJHIIL-NRFANRHFSA-N 2 2 397.567 3.428 20 0 GGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000108883795 1411630611 /nfs/dbraw/zinc/63/06/11/1411630611.db2.gz ZLLBAZVYCJHIIL-NRFANRHFSA-N 2 2 397.567 3.428 20 0 GGADLP Cc1ccc(C[C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000108885646 1411631930 /nfs/dbraw/zinc/63/19/30/1411631930.db2.gz XXTVHSNNNKIQND-LJQANCHMSA-N 2 2 386.584 3.092 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cccc(OC)c2OC(C)C)nc[nH+]1 ZINC000109069791 1411674657 /nfs/dbraw/zinc/67/46/57/1411674657.db2.gz NUEVAEOLCIJBDC-QGZVFWFLSA-N 2 2 385.512 3.073 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c(F)cccc2N2CCCC2)nc[nH+]1 ZINC000109069882 1411674853 /nfs/dbraw/zinc/67/48/53/1411674853.db2.gz JWRGIRQTTRTPLK-INIZCTEOSA-N 2 2 384.503 3.016 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)nc[nH+]1 ZINC000109070328 1411675543 /nfs/dbraw/zinc/67/55/43/1411675543.db2.gz LNOQUVXIMUQECW-IBGZPJMESA-N 2 2 391.523 3.079 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2csc(-c3cccs3)n2)nc[nH+]1 ZINC000109070313 1411675744 /nfs/dbraw/zinc/67/57/44/1411675744.db2.gz LVUFZQQHVSCFAE-AWEZNQCLSA-N 2 2 386.550 3.462 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC(C)C)c(OC)c2)nc[nH+]1 ZINC000109070380 1411675783 /nfs/dbraw/zinc/67/57/83/1411675783.db2.gz TZJNVJCQUGUGHO-QGZVFWFLSA-N 2 2 385.512 3.073 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2nc(-c3ccccc3)cs2)nc[nH+]1 ZINC000109070295 1411676265 /nfs/dbraw/zinc/67/62/65/1411676265.db2.gz KZGULBXCJBDMFX-MRXNPFEDSA-N 2 2 380.521 3.400 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccccc2Br)nc[nH+]1 ZINC000109070030 1411676307 /nfs/dbraw/zinc/67/63/07/1411676307.db2.gz CYOCIDLOSLENSJ-CQSZACIVSA-N 2 2 376.302 3.039 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000109145468 1411694380 /nfs/dbraw/zinc/69/43/80/1411694380.db2.gz GDRMQHBQPXGPCV-OAQYLSRUSA-N 2 2 381.520 3.080 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC000109145468 1411694385 /nfs/dbraw/zinc/69/43/85/1411694385.db2.gz GDRMQHBQPXGPCV-OAQYLSRUSA-N 2 2 381.520 3.080 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000109792913 1411811056 /nfs/dbraw/zinc/81/10/56/1411811056.db2.gz HFMMOXWRLUOQEK-UHFFFAOYSA-N 2 2 390.491 3.222 20 0 GGADLP C[C@H](C(=O)N(C)CCOc1ccc(Cl)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109796178 1411811120 /nfs/dbraw/zinc/81/11/20/1411811120.db2.gz HDLJFRREKYFFCB-MRXNPFEDSA-N 2 2 390.915 3.099 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC1 ZINC000110226525 1411838825 /nfs/dbraw/zinc/83/88/25/1411838825.db2.gz CVSSGMRLSFZKEX-LJQANCHMSA-N 2 2 395.551 3.070 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC1 ZINC000110226525 1411838827 /nfs/dbraw/zinc/83/88/27/1411838827.db2.gz CVSSGMRLSFZKEX-LJQANCHMSA-N 2 2 395.551 3.070 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)c1 ZINC000110232424 1411839354 /nfs/dbraw/zinc/83/93/54/1411839354.db2.gz QKDPUPBSKDWCNC-FQEVSTJZSA-N 2 2 383.540 3.139 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)c1 ZINC000110232424 1411839356 /nfs/dbraw/zinc/83/93/56/1411839356.db2.gz QKDPUPBSKDWCNC-FQEVSTJZSA-N 2 2 383.540 3.139 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243274 1411897633 /nfs/dbraw/zinc/89/76/33/1411897633.db2.gz XVPHQPRLFZMHTQ-HNNXBMFYSA-N 2 2 383.521 3.177 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243711 1411897686 /nfs/dbraw/zinc/89/76/86/1411897686.db2.gz RMVYPWIRSXIWPJ-CQSZACIVSA-N 2 2 378.879 3.360 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000111479778 1411976724 /nfs/dbraw/zinc/97/67/24/1411976724.db2.gz ITWXLMPCKAINTD-SFHVURJKSA-N 2 2 377.492 3.192 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111479778 1411976737 /nfs/dbraw/zinc/97/67/37/1411976737.db2.gz ITWXLMPCKAINTD-SFHVURJKSA-N 2 2 377.492 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000111611935 1412001264 /nfs/dbraw/zinc/00/12/64/1412001264.db2.gz APWNERWPYOQPIU-RBUKOAKNSA-N 2 2 393.531 3.465 20 0 GGADLP C[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000111611935 1412001270 /nfs/dbraw/zinc/00/12/70/1412001270.db2.gz APWNERWPYOQPIU-RBUKOAKNSA-N 2 2 393.531 3.465 20 0 GGADLP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccnc1)[NH+](C)Cc1ccccc1 ZINC000111631150 1412003748 /nfs/dbraw/zinc/00/37/48/1412003748.db2.gz MHVHOLRNEUBBNQ-DENIHFKCSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1cccnc1)[NH+](C)Cc1ccccc1 ZINC000111631150 1412003759 /nfs/dbraw/zinc/00/37/59/1412003759.db2.gz MHVHOLRNEUBBNQ-DENIHFKCSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1cccnc1)[N@H+](C)Cc1ccccc1 ZINC000111631150 1412003767 /nfs/dbraw/zinc/00/37/67/1412003767.db2.gz MHVHOLRNEUBBNQ-DENIHFKCSA-N 2 2 380.536 3.073 20 0 GGADLP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1cccnc1)[N@@H+](C)Cc1ccccc1 ZINC000111631150 1412003773 /nfs/dbraw/zinc/00/37/73/1412003773.db2.gz MHVHOLRNEUBBNQ-DENIHFKCSA-N 2 2 380.536 3.073 20 0 GGADLP CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000111801763 1412030646 /nfs/dbraw/zinc/03/06/46/1412030646.db2.gz SIPCKNUCXKBUMG-GOSISDBHSA-N 2 2 396.938 3.227 20 0 GGADLP CC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000111801763 1412030653 /nfs/dbraw/zinc/03/06/53/1412030653.db2.gz SIPCKNUCXKBUMG-GOSISDBHSA-N 2 2 396.938 3.227 20 0 GGADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000111862550 1412040382 /nfs/dbraw/zinc/04/03/82/1412040382.db2.gz VUZTUCKBSAZLAR-CRAIPNDOSA-N 2 2 396.938 3.085 20 0 GGADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000111862550 1412040389 /nfs/dbraw/zinc/04/03/89/1412040389.db2.gz VUZTUCKBSAZLAR-CRAIPNDOSA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000111862550 1412040398 /nfs/dbraw/zinc/04/03/98/1412040398.db2.gz VUZTUCKBSAZLAR-CRAIPNDOSA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000111862550 1412040407 /nfs/dbraw/zinc/04/04/07/1412040407.db2.gz VUZTUCKBSAZLAR-CRAIPNDOSA-N 2 2 396.938 3.085 20 0 GGADLP CCS[C@@H]1CCCC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000112089844 1412075663 /nfs/dbraw/zinc/07/56/63/1412075663.db2.gz BLJKMQUWIJRFDS-HXUWFJFHSA-N 2 2 391.581 3.065 20 0 GGADLP CCS[C@@H]1CCCC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000112089844 1412075669 /nfs/dbraw/zinc/07/56/69/1412075669.db2.gz BLJKMQUWIJRFDS-HXUWFJFHSA-N 2 2 391.581 3.065 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(c4ccc(Cl)cc4)CC3)CC2)CC1 ZINC000112214809 1412094156 /nfs/dbraw/zinc/09/41/56/1412094156.db2.gz JABXDWHVRKSILL-UHFFFAOYSA-N 2 2 390.959 3.187 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cccc(Oc4ccncc4)c3)CC2)CC1 ZINC000112632643 1412182295 /nfs/dbraw/zinc/18/22/95/1412182295.db2.gz VNRYNWFQWMGKFQ-UHFFFAOYSA-N 2 2 394.519 3.162 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1SC(F)F ZINC000112681463 1412191914 /nfs/dbraw/zinc/19/19/14/1412191914.db2.gz MLIRUFFUJJCOLJ-UHFFFAOYSA-N 2 2 386.512 3.491 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1SC(F)F ZINC000112681463 1412191919 /nfs/dbraw/zinc/19/19/19/1412191919.db2.gz MLIRUFFUJJCOLJ-UHFFFAOYSA-N 2 2 386.512 3.491 20 0 GGADLP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000112687240 1412193031 /nfs/dbraw/zinc/19/30/31/1412193031.db2.gz MAGJEQJYFKLMRM-NRFANRHFSA-N 2 2 393.579 3.182 20 0 GGADLP CN(C)c1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000112687240 1412193038 /nfs/dbraw/zinc/19/30/38/1412193038.db2.gz MAGJEQJYFKLMRM-NRFANRHFSA-N 2 2 393.579 3.182 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnc1Sc1ccccc1 ZINC000112921616 1412241844 /nfs/dbraw/zinc/24/18/44/1412241844.db2.gz UMIJWUSGORKYGX-UHFFFAOYSA-N 2 2 398.576 3.331 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccnc1Sc1ccccc1 ZINC000112921616 1412241852 /nfs/dbraw/zinc/24/18/52/1412241852.db2.gz UMIJWUSGORKYGX-UHFFFAOYSA-N 2 2 398.576 3.331 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@](C)(c4ccccc4)C3)CC2)CC1 ZINC000113388624 1412302742 /nfs/dbraw/zinc/30/27/42/1412302742.db2.gz RXESWBYURBPTCM-DEOSSOPVSA-N 2 2 398.595 3.308 20 0 GGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000113625416 1412323183 /nfs/dbraw/zinc/32/31/83/1412323183.db2.gz QHVKYCBSDKDPHR-SFHVURJKSA-N 2 2 381.524 3.043 20 0 GGADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1cccc(OC(F)(F)F)c1 ZINC000113933162 1412354307 /nfs/dbraw/zinc/35/43/07/1412354307.db2.gz GREGOKMHNHLKDR-QGZVFWFLSA-N 2 2 394.397 3.224 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000114018747 1412369423 /nfs/dbraw/zinc/36/94/23/1412369423.db2.gz UTNNGDORDTUFKD-CTNGQTDRSA-N 2 2 399.583 3.478 20 0 GGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000114018747 1412369427 /nfs/dbraw/zinc/36/94/27/1412369427.db2.gz UTNNGDORDTUFKD-CTNGQTDRSA-N 2 2 399.583 3.478 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000114173273 1412387162 /nfs/dbraw/zinc/38/71/62/1412387162.db2.gz RMPMMULSJWYNAH-UHFFFAOYSA-N 2 2 390.478 3.456 20 0 GGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000114179591 1412388130 /nfs/dbraw/zinc/38/81/30/1412388130.db2.gz KHWYWHGBODODJK-OALUTQOASA-N 2 2 396.535 3.142 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+]3CC[C@H](C[NH+](C)C)C3)ccc2c1 ZINC000114477921 1412441863 /nfs/dbraw/zinc/44/18/63/1412441863.db2.gz HILMNUGJSHNVTI-PKOBYXMFSA-N 2 2 383.536 3.079 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+]3CC[C@H](C[NH+](C)C)C3)ccc2c1 ZINC000114477921 1412441871 /nfs/dbraw/zinc/44/18/71/1412441871.db2.gz HILMNUGJSHNVTI-PKOBYXMFSA-N 2 2 383.536 3.079 20 0 GGADLP COc1ccc(COC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114481017 1412441904 /nfs/dbraw/zinc/44/19/04/1412441904.db2.gz NULKBMPTJWUATJ-HSZRJFAPSA-N 2 2 398.547 3.169 20 0 GGADLP COc1ccc(COC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114481017 1412441910 /nfs/dbraw/zinc/44/19/10/1412441910.db2.gz NULKBMPTJWUATJ-HSZRJFAPSA-N 2 2 398.547 3.169 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000114477877 1412442010 /nfs/dbraw/zinc/44/20/10/1412442010.db2.gz JHHAWJHUOMTTEQ-MRXNPFEDSA-N 2 2 383.458 3.080 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000114477877 1412442012 /nfs/dbraw/zinc/44/20/12/1412442012.db2.gz JHHAWJHUOMTTEQ-MRXNPFEDSA-N 2 2 383.458 3.080 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+]3CC[C@H](C[NH+](C)C)C3)ccc2c1 ZINC000114477922 1412442069 /nfs/dbraw/zinc/44/20/69/1412442069.db2.gz HILMNUGJSHNVTI-IEBWSBKVSA-N 2 2 383.536 3.079 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+]3CC[C@H](C[NH+](C)C)C3)ccc2c1 ZINC000114477922 1412442073 /nfs/dbraw/zinc/44/20/73/1412442073.db2.gz HILMNUGJSHNVTI-IEBWSBKVSA-N 2 2 383.536 3.079 20 0 GGADLP CCOc1ccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114481222 1412442765 /nfs/dbraw/zinc/44/27/65/1412442765.db2.gz KTOXVPLAVWSDGL-JOCHJYFZSA-N 2 2 398.547 3.421 20 0 GGADLP CCOc1ccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114481222 1412442771 /nfs/dbraw/zinc/44/27/71/1412442771.db2.gz KTOXVPLAVWSDGL-JOCHJYFZSA-N 2 2 398.547 3.421 20 0 GGADLP CC[C@@H]1c2ccccc2CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000114492636 1412445356 /nfs/dbraw/zinc/44/53/56/1412445356.db2.gz JLHNCDXDUXDKFL-OAQYLSRUSA-N 2 2 378.520 3.130 20 0 GGADLP CC[C@@H]1c2ccccc2CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000114492636 1412445365 /nfs/dbraw/zinc/44/53/65/1412445365.db2.gz JLHNCDXDUXDKFL-OAQYLSRUSA-N 2 2 378.520 3.130 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114782688 1412522984 /nfs/dbraw/zinc/52/29/84/1412522984.db2.gz OFSPXEQVMASTKG-NRFANRHFSA-N 2 2 393.535 3.146 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114782688 1412522990 /nfs/dbraw/zinc/52/29/90/1412522990.db2.gz OFSPXEQVMASTKG-NRFANRHFSA-N 2 2 393.535 3.146 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114787090 1412524827 /nfs/dbraw/zinc/52/48/27/1412524827.db2.gz KBOIMWWYGPFTQM-JOCHJYFZSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114787090 1412524835 /nfs/dbraw/zinc/52/48/35/1412524835.db2.gz KBOIMWWYGPFTQM-JOCHJYFZSA-N 2 2 389.503 3.336 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000114790617 1412526124 /nfs/dbraw/zinc/52/61/24/1412526124.db2.gz VTGFMYJPLIIIJC-HXUWFJFHSA-N 2 2 387.572 3.126 20 0 GGADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2cc[nH+]c(N3CCCC3)c2)c1 ZINC000114920757 1412547926 /nfs/dbraw/zinc/54/79/26/1412547926.db2.gz RWBVWYZETKTXBK-UHFFFAOYSA-N 2 2 395.551 3.264 20 0 GGADLP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259186 1428657350 /nfs/dbraw/zinc/65/73/50/1428657350.db2.gz NKFDVZDKQOMTJH-UHFFFAOYSA-N 2 2 376.504 3.062 20 0 GGADLP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259186 1428657352 /nfs/dbraw/zinc/65/73/52/1428657352.db2.gz NKFDVZDKQOMTJH-UHFFFAOYSA-N 2 2 376.504 3.062 20 0 GGADLP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCc2ccccc2-n2cc[nH+]c2)c1 ZINC000114942953 1412554392 /nfs/dbraw/zinc/55/43/92/1412554392.db2.gz BUQMMSSDECUWOG-UHFFFAOYSA-N 2 2 391.519 3.454 20 0 GGADLP Cc1ccccc1NC(=O)CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259555 1428658220 /nfs/dbraw/zinc/65/82/20/1428658220.db2.gz NWIOSJXYHGMTJQ-UHFFFAOYSA-N 2 2 380.536 3.358 20 0 GGADLP Cc1ccccc1NC(=O)CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177259555 1428658221 /nfs/dbraw/zinc/65/82/21/1428658221.db2.gz NWIOSJXYHGMTJQ-UHFFFAOYSA-N 2 2 380.536 3.358 20 0 GGADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000115554164 1412709234 /nfs/dbraw/zinc/70/92/34/1412709234.db2.gz CBZFFFRDKMLHAN-DENIHFKCSA-N 2 2 393.531 3.335 20 0 GGADLP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000115554164 1412709238 /nfs/dbraw/zinc/70/92/38/1412709238.db2.gz CBZFFFRDKMLHAN-DENIHFKCSA-N 2 2 393.531 3.335 20 0 GGADLP C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000115554162 1412709949 /nfs/dbraw/zinc/70/99/49/1412709949.db2.gz CBZFFFRDKMLHAN-UGKGYDQZSA-N 2 2 393.531 3.335 20 0 GGADLP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000115554162 1412709963 /nfs/dbraw/zinc/70/99/63/1412709963.db2.gz CBZFFFRDKMLHAN-UGKGYDQZSA-N 2 2 393.531 3.335 20 0 GGADLP CC1CCC([NH+]2CCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)CC2)CC1 ZINC000115650455 1412745921 /nfs/dbraw/zinc/74/59/21/1412745921.db2.gz HWDDFOSOXWLRJA-UHFFFAOYSA-N 2 2 385.556 3.088 20 0 GGADLP C[NH+](C)CC[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C(C)(C)C ZINC000116129466 1412834796 /nfs/dbraw/zinc/83/47/96/1412834796.db2.gz YLHOWLMQZUMLOF-LJQANCHMSA-N 2 2 399.539 3.008 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cn2c1 ZINC000116231767 1412845424 /nfs/dbraw/zinc/84/54/24/1412845424.db2.gz KFZBDZXGVOFTIO-KRWDZBQOSA-N 2 2 376.570 3.359 20 0 GGADLP Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000116324556 1412849872 /nfs/dbraw/zinc/84/98/72/1412849872.db2.gz GIODVEFAFVXTSO-HXUWFJFHSA-N 2 2 375.582 3.074 20 0 GGADLP Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000116324556 1412849873 /nfs/dbraw/zinc/84/98/73/1412849873.db2.gz GIODVEFAFVXTSO-HXUWFJFHSA-N 2 2 375.582 3.074 20 0 GGADLP O=C(COc1ccccc1C[NH2+]Cc1ccccc1-n1cc[nH+]c1)NCC1CC1 ZINC000116336123 1412851369 /nfs/dbraw/zinc/85/13/69/1412851369.db2.gz MUDNIEADLKSLAG-UHFFFAOYSA-N 2 2 390.487 3.067 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000116435530 1412859926 /nfs/dbraw/zinc/85/99/26/1412859926.db2.gz RJPFCKSIABUHPN-GOSISDBHSA-N 2 2 395.551 3.287 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000116435528 1412860027 /nfs/dbraw/zinc/86/00/27/1412860027.db2.gz RJPFCKSIABUHPN-SFHVURJKSA-N 2 2 395.551 3.287 20 0 GGADLP Cc1cccn2cc(CC(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)[nH+]c12 ZINC000116495342 1412868202 /nfs/dbraw/zinc/86/82/02/1412868202.db2.gz DXPUYAFXKINNIB-UHFFFAOYSA-N 2 2 376.504 3.488 20 0 GGADLP Cc1ccc(F)c(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)c1 ZINC000116914208 1412955339 /nfs/dbraw/zinc/95/53/39/1412955339.db2.gz KBYFNYTWZUOCKX-UHFFFAOYSA-N 2 2 385.483 3.085 20 0 GGADLP COc1ccc([C@@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)cc1 ZINC000117573075 1413052984 /nfs/dbraw/zinc/05/29/84/1413052984.db2.gz JIHCPBNKEJKDSP-JOCHJYFZSA-N 2 2 390.487 3.448 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC000117575114 1413053477 /nfs/dbraw/zinc/05/34/77/1413053477.db2.gz WBLWYNPALHLTCY-UHFFFAOYSA-N 2 2 375.476 3.185 20 0 GGADLP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cccc(-n3cc[nH+]c3)c2)cc1 ZINC000117632611 1413058585 /nfs/dbraw/zinc/05/85/85/1413058585.db2.gz FEBQHPUTICCQLK-UHFFFAOYSA-N 2 2 377.448 3.015 20 0 GGADLP CN(C(=O)c1cccc(-n2cc[nH+]c2)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000117776959 1413077355 /nfs/dbraw/zinc/07/73/55/1413077355.db2.gz ZRWDVBGMAFFZBJ-UHFFFAOYSA-N 2 2 389.503 3.046 20 0 GGADLP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC000117795287 1413079424 /nfs/dbraw/zinc/07/94/24/1413079424.db2.gz MLUPHGCYEYFTHA-QFIPXVFZSA-N 2 2 396.535 3.405 20 0 GGADLP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC000117795287 1413079432 /nfs/dbraw/zinc/07/94/32/1413079432.db2.gz MLUPHGCYEYFTHA-QFIPXVFZSA-N 2 2 396.535 3.405 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c(C[NH+](C)C)c1 ZINC000117805910 1413079978 /nfs/dbraw/zinc/07/99/78/1413079978.db2.gz VEYFFMRHGIBCLZ-GOSISDBHSA-N 2 2 398.526 3.345 20 0 GGADLP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC000117800163 1413080021 /nfs/dbraw/zinc/08/00/21/1413080021.db2.gz FOJBLDAIGHDTMN-JOCHJYFZSA-N 2 2 396.535 3.405 20 0 GGADLP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC000117800163 1413080033 /nfs/dbraw/zinc/08/00/33/1413080033.db2.gz FOJBLDAIGHDTMN-JOCHJYFZSA-N 2 2 396.535 3.405 20 0 GGADLP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000177357596 1428703449 /nfs/dbraw/zinc/70/34/49/1428703449.db2.gz AOIVDHOUSFSSTO-SFHVURJKSA-N 2 2 398.526 3.345 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000177373326 1428708506 /nfs/dbraw/zinc/70/85/06/1428708506.db2.gz QXSBGIGYBFBARB-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000177373326 1428708510 /nfs/dbraw/zinc/70/85/10/1428708510.db2.gz QXSBGIGYBFBARB-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000118805870 1413225539 /nfs/dbraw/zinc/22/55/39/1413225539.db2.gz LLQIJLMIDUORQG-GUDVDZBRSA-N 2 2 388.556 3.101 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)C[C@@H](C)O1 ZINC000118805870 1413225546 /nfs/dbraw/zinc/22/55/46/1413225546.db2.gz LLQIJLMIDUORQG-GUDVDZBRSA-N 2 2 388.556 3.101 20 0 GGADLP Cc1ccc([C@@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)o1 ZINC000118967246 1413279462 /nfs/dbraw/zinc/27/94/62/1413279462.db2.gz GYMPNFFHSZMLJX-GHTZIAJQSA-N 2 2 380.492 3.498 20 0 GGADLP Cc1ccc([C@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)o1 ZINC000118967544 1413279743 /nfs/dbraw/zinc/27/97/43/1413279743.db2.gz GYMPNFFHSZMLJX-NQIIRXRSSA-N 2 2 380.492 3.498 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000119011010 1413303541 /nfs/dbraw/zinc/30/35/41/1413303541.db2.gz ODIDHVHTTZIYHW-SJORKVTESA-N 2 2 377.529 3.131 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000119036534 1413312445 /nfs/dbraw/zinc/31/24/45/1413312445.db2.gz CXFMIAMTOQLRSO-UHFFFAOYSA-N 2 2 389.544 3.003 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000119036534 1413312450 /nfs/dbraw/zinc/31/24/50/1413312450.db2.gz CXFMIAMTOQLRSO-UHFFFAOYSA-N 2 2 389.544 3.003 20 0 GGADLP CC(C)CCC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119061089 1413321447 /nfs/dbraw/zinc/32/14/47/1413321447.db2.gz SQVFLMUDYTYFCC-MOPGFXCFSA-N 2 2 375.561 3.086 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cn2c1 ZINC000119251111 1413389564 /nfs/dbraw/zinc/38/95/64/1413389564.db2.gz GOQIBKAASIRVDF-PXNSSMCTSA-N 2 2 398.576 3.351 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2c1 ZINC000119251111 1413389569 /nfs/dbraw/zinc/38/95/69/1413389569.db2.gz GOQIBKAASIRVDF-PXNSSMCTSA-N 2 2 398.576 3.351 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000119374967 1413428256 /nfs/dbraw/zinc/42/82/56/1413428256.db2.gz MFAYQHGBGQRVJM-OAQYLSRUSA-N 2 2 393.535 3.318 20 0 GGADLP Clc1cc(Cl)c2c(c1)C=C(C[NH+]1CCN(CC[NH+]3CCCC3)CC1)CO2 ZINC000119513418 1413471775 /nfs/dbraw/zinc/47/17/75/1413471775.db2.gz SONAWWBOSYEFSI-UHFFFAOYSA-N 2 2 396.362 3.483 20 0 GGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119557929 1413485153 /nfs/dbraw/zinc/48/51/53/1413485153.db2.gz LBYGLNFIXYSADT-QUCCMNQESA-N 2 2 380.536 3.035 20 0 GGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119557929 1413485160 /nfs/dbraw/zinc/48/51/60/1413485160.db2.gz LBYGLNFIXYSADT-QUCCMNQESA-N 2 2 380.536 3.035 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NC3CC[NH+](C4CCCC4)CC3)cn2c1 ZINC000177426599 1428732273 /nfs/dbraw/zinc/73/22/73/1428732273.db2.gz TTXXNZJQHAUEMG-UHFFFAOYSA-N 2 2 386.565 3.399 20 0 GGADLP COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000119679134 1413528524 /nfs/dbraw/zinc/52/85/24/1413528524.db2.gz UTNZURLIHNKXQZ-UHFFFAOYSA-N 2 2 391.560 3.058 20 0 GGADLP COCC[N@@H+](C)CCCC1CCN(C(=O)Nc2ccc(C)[nH+]c2N(C)C)CC1 ZINC000119679134 1413528548 /nfs/dbraw/zinc/52/85/48/1413528548.db2.gz UTNZURLIHNKXQZ-UHFFFAOYSA-N 2 2 391.560 3.058 20 0 GGADLP C[C@H](CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[N@H+](C)Cc1ccccc1 ZINC000119782652 1413567512 /nfs/dbraw/zinc/56/75/12/1413567512.db2.gz PTTMFNBDIGMGKY-TZIWHRDSSA-N 2 2 397.567 3.295 20 0 GGADLP C[C@H](CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000119782652 1413567521 /nfs/dbraw/zinc/56/75/21/1413567521.db2.gz PTTMFNBDIGMGKY-TZIWHRDSSA-N 2 2 397.567 3.295 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)cc1 ZINC000119827348 1413584031 /nfs/dbraw/zinc/58/40/31/1413584031.db2.gz JGAPPCIJYRYVIM-UHFFFAOYSA-N 2 2 391.519 3.035 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000119874635 1413600932 /nfs/dbraw/zinc/60/09/32/1413600932.db2.gz JCSLPWZDPTVPRG-JXFKEZNVSA-N 2 2 382.508 3.027 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000119874635 1413600939 /nfs/dbraw/zinc/60/09/39/1413600939.db2.gz JCSLPWZDPTVPRG-JXFKEZNVSA-N 2 2 382.508 3.027 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000119950286 1413629514 /nfs/dbraw/zinc/62/95/14/1413629514.db2.gz AHNFEGCAVDEDTL-UGKGYDQZSA-N 2 2 392.547 3.243 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000119950286 1413629515 /nfs/dbraw/zinc/62/95/15/1413629515.db2.gz AHNFEGCAVDEDTL-UGKGYDQZSA-N 2 2 392.547 3.243 20 0 GGADLP CCc1ccc2c(C[NH+]3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)cc(=O)oc2c1 ZINC000120050571 1413668652 /nfs/dbraw/zinc/66/86/52/1413668652.db2.gz HEKUCNKNXDQSFI-OALUTQOASA-N 2 2 397.563 3.346 20 0 GGADLP CN(C)c1ccc(Cl)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000120149102 1413707288 /nfs/dbraw/zinc/70/72/88/1413707288.db2.gz GIJFOCPUUADMGS-UHFFFAOYSA-N 2 2 393.963 3.086 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(C)(c4ccccc4)CC3)CC2)CC1 ZINC000120157585 1413711012 /nfs/dbraw/zinc/71/10/12/1413711012.db2.gz FSYTVWDWDLBCLJ-UHFFFAOYSA-N 2 2 398.595 3.308 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120288619 1413769625 /nfs/dbraw/zinc/76/96/25/1413769625.db2.gz KAIRKPAWQRYDMZ-HKUYNNGSSA-N 2 2 376.545 3.139 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120288619 1413769630 /nfs/dbraw/zinc/76/96/30/1413769630.db2.gz KAIRKPAWQRYDMZ-HKUYNNGSSA-N 2 2 376.545 3.139 20 0 GGADLP COc1ccc([C@H](CCO)[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1 ZINC000120319056 1413784188 /nfs/dbraw/zinc/78/41/88/1413784188.db2.gz KRPIZONXMDDNRW-QHCPKHFHSA-N 2 2 383.536 3.443 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000120418480 1413813653 /nfs/dbraw/zinc/81/36/53/1413813653.db2.gz SLGQMKOTJHSHIW-HXUWFJFHSA-N 2 2 399.539 3.150 20 0 GGADLP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177490050 1428765719 /nfs/dbraw/zinc/76/57/19/1428765719.db2.gz NEOXWDPKFAJPSU-MRXNPFEDSA-N 2 2 381.948 3.454 20 0 GGADLP CC(C)CCc1noc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177490933 1428766412 /nfs/dbraw/zinc/76/64/12/1428766412.db2.gz SAOBNTDEIIPEHX-HDICACEKSA-N 2 2 378.561 3.370 20 0 GGADLP CC(C)CCc1noc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000177490933 1428766416 /nfs/dbraw/zinc/76/64/16/1428766416.db2.gz SAOBNTDEIIPEHX-HDICACEKSA-N 2 2 378.561 3.370 20 0 GGADLP CCc1cc2c(C[NH2+]C3CC[NH+](CCOC(C)C)CC3)cc(=O)oc2cc1O ZINC000177491778 1428766685 /nfs/dbraw/zinc/76/66/85/1428766685.db2.gz PGXRKDOJNWQOBB-UHFFFAOYSA-N 2 2 388.508 3.040 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000120902841 1413943183 /nfs/dbraw/zinc/94/31/83/1413943183.db2.gz ZXTRQRJIONGPEL-NRSPTQNISA-N 2 2 395.551 3.047 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000120902841 1413943185 /nfs/dbraw/zinc/94/31/85/1413943185.db2.gz ZXTRQRJIONGPEL-NRSPTQNISA-N 2 2 395.551 3.047 20 0 GGADLP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)C[C@@H](C)O1 ZINC000177503793 1428772806 /nfs/dbraw/zinc/77/28/06/1428772806.db2.gz BPNCXDDJZWFSFN-HZPDHXFCSA-N 2 2 395.494 3.115 20 0 GGADLP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC2)C[C@H](C)O1 ZINC000177510082 1428776053 /nfs/dbraw/zinc/77/60/53/1428776053.db2.gz LBWZTOLROPSOMV-HOTGVXAUSA-N 2 2 395.494 3.115 20 0 GGADLP COCOc1ccc(OC)cc1C[NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000121234482 1414053391 /nfs/dbraw/zinc/05/33/91/1414053391.db2.gz OYKMJXKTVHSPCW-KRWDZBQOSA-N 2 2 385.508 3.388 20 0 GGADLP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cccc(CO)c1 ZINC000121312690 1414080069 /nfs/dbraw/zinc/08/00/69/1414080069.db2.gz AQENFQMDSYVPRD-OAQYLSRUSA-N 2 2 381.564 3.428 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000121535728 1414167223 /nfs/dbraw/zinc/16/72/23/1414167223.db2.gz SCDPQLXZBJTUHD-KBXCAEBGSA-N 2 2 390.890 3.273 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C1 ZINC000121535728 1414167228 /nfs/dbraw/zinc/16/72/28/1414167228.db2.gz SCDPQLXZBJTUHD-KBXCAEBGSA-N 2 2 390.890 3.273 20 0 GGADLP C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000177542783 1428786804 /nfs/dbraw/zinc/78/68/04/1428786804.db2.gz OFQRYEKSKQMZLW-AUSIDOKSSA-N 2 2 393.531 3.335 20 0 GGADLP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000177542783 1428786812 /nfs/dbraw/zinc/78/68/12/1428786812.db2.gz OFQRYEKSKQMZLW-AUSIDOKSSA-N 2 2 393.531 3.335 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121614728 1414200598 /nfs/dbraw/zinc/20/05/98/1414200598.db2.gz HHUNELHXXSHGOB-HSZRJFAPSA-N 2 2 396.531 3.225 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000121614728 1414200616 /nfs/dbraw/zinc/20/06/16/1414200616.db2.gz HHUNELHXXSHGOB-HSZRJFAPSA-N 2 2 396.531 3.225 20 0 GGADLP C[N@H+](C[C@@H](O)COCc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121618345 1414202362 /nfs/dbraw/zinc/20/23/62/1414202362.db2.gz PBTCYKPACIYBRA-JOCHJYFZSA-N 2 2 386.511 3.300 20 0 GGADLP C[N@@H+](C[C@@H](O)COCc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121618345 1414202370 /nfs/dbraw/zinc/20/23/70/1414202370.db2.gz PBTCYKPACIYBRA-JOCHJYFZSA-N 2 2 386.511 3.300 20 0 GGADLP CC(C)c1nnc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000121623537 1414204203 /nfs/dbraw/zinc/20/42/03/1414204203.db2.gz XTIVSDNRFUHWDR-UHFFFAOYSA-N 2 2 379.574 3.188 20 0 GGADLP Cc1cccc(C)c1-n1nnnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121633413 1414207399 /nfs/dbraw/zinc/20/73/99/1414207399.db2.gz RMCJMNLCXQUNGE-UHFFFAOYSA-N 2 2 382.556 3.367 20 0 GGADLP c1cnc2c(c1)cccc2C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000121679741 1414220981 /nfs/dbraw/zinc/22/09/81/1414220981.db2.gz IQMROHZCTFNBOT-UHFFFAOYSA-N 2 2 377.488 3.236 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCN3CCc4ccccc4C3)CC2)cc1 ZINC000121748046 1414244743 /nfs/dbraw/zinc/24/47/43/1414244743.db2.gz AGCYHFVKPSOBKR-UHFFFAOYSA-N 2 2 378.564 3.369 20 0 GGADLP Cc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OC(F)F ZINC000122044202 1414347640 /nfs/dbraw/zinc/34/76/40/1414347640.db2.gz QPQAUUGJXSUEQI-UHFFFAOYSA-N 2 2 396.482 3.277 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3cc(-c4ccccc4)ns3)CC2)CC1 ZINC000122111995 1414365197 /nfs/dbraw/zinc/36/51/97/1414365197.db2.gz QKDPGAKJASTSFS-UHFFFAOYSA-N 2 2 399.564 3.490 20 0 GGADLP C/C(=C\c1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122217277 1414392518 /nfs/dbraw/zinc/39/25/18/1414392518.db2.gz DSLOUPCVEVIDCC-JQIJEIRASA-N 2 2 375.944 3.418 20 0 GGADLP Cn1cc(C[NH2+]CCCNc2cccc[nH+]2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000177589233 1428804435 /nfs/dbraw/zinc/80/44/35/1428804435.db2.gz KVGPSOACOPAZQM-UHFFFAOYSA-N 2 2 393.491 3.235 20 0 GGADLP Cc1ccc(-c2ncco2)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122303022 1414417709 /nfs/dbraw/zinc/41/77/09/1414417709.db2.gz KEYCCBIEGPKURX-UHFFFAOYSA-N 2 2 397.523 3.330 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000122327703 1414424988 /nfs/dbraw/zinc/42/49/88/1414424988.db2.gz PYKWSTJZHSPPHL-TZIWHRDSSA-N 2 2 386.561 3.003 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000122327703 1414424990 /nfs/dbraw/zinc/42/49/90/1414424990.db2.gz PYKWSTJZHSPPHL-TZIWHRDSSA-N 2 2 386.561 3.003 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000122327231 1414425292 /nfs/dbraw/zinc/42/52/92/1414425292.db2.gz PYKWSTJZHSPPHL-CTNGQTDRSA-N 2 2 386.561 3.003 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000122327231 1414425297 /nfs/dbraw/zinc/42/52/97/1414425297.db2.gz PYKWSTJZHSPPHL-CTNGQTDRSA-N 2 2 386.561 3.003 20 0 GGADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000122332240 1414426012 /nfs/dbraw/zinc/42/60/12/1414426012.db2.gz HNGFABTXBFXYOW-QGZVFWFLSA-N 2 2 378.476 3.309 20 0 GGADLP Cc1noc(-c2ccccc2)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122566076 1414503074 /nfs/dbraw/zinc/50/30/74/1414503074.db2.gz TZWXVOHWIBFLAF-UHFFFAOYSA-N 2 2 397.523 3.330 20 0 GGADLP COC(=O)c1nn(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc21 ZINC000177627343 1428815557 /nfs/dbraw/zinc/81/55/57/1428815557.db2.gz WEPMXGMYAXPEIF-LJQANCHMSA-N 2 2 392.503 3.234 20 0 GGADLP COC(=O)c1nn(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc21 ZINC000177627343 1428815561 /nfs/dbraw/zinc/81/55/61/1428815561.db2.gz WEPMXGMYAXPEIF-LJQANCHMSA-N 2 2 392.503 3.234 20 0 GGADLP COC(=O)c1nn(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000177627343 1428815562 /nfs/dbraw/zinc/81/55/62/1428815562.db2.gz WEPMXGMYAXPEIF-LJQANCHMSA-N 2 2 392.503 3.234 20 0 GGADLP COC(=O)c1nn(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000177627343 1428815565 /nfs/dbraw/zinc/81/55/65/1428815565.db2.gz WEPMXGMYAXPEIF-LJQANCHMSA-N 2 2 392.503 3.234 20 0 GGADLP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000122958068 1414605868 /nfs/dbraw/zinc/60/58/68/1414605868.db2.gz MSPJZCJONQLPOP-PMACEKPBSA-N 2 2 389.540 3.054 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccccc1-c1ccccc1 ZINC000122989391 1414614257 /nfs/dbraw/zinc/61/42/57/1414614257.db2.gz BMCUMPJKGPNERZ-UHFFFAOYSA-N 2 2 395.547 3.217 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccccc1-c1ccccc1 ZINC000122989391 1414614260 /nfs/dbraw/zinc/61/42/60/1414614260.db2.gz BMCUMPJKGPNERZ-UHFFFAOYSA-N 2 2 395.547 3.217 20 0 GGADLP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2nc(-c3ccco3)cs2)CC1 ZINC000123247311 1414677833 /nfs/dbraw/zinc/67/78/33/1414677833.db2.gz CYUSIZJZYDXWKI-UHFFFAOYSA-N 2 2 376.526 3.395 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000123333804 1414698904 /nfs/dbraw/zinc/69/89/04/1414698904.db2.gz IPZRUIBJBRNQDA-QGZVFWFLSA-N 2 2 382.508 3.094 20 0 GGADLP C[NH+](C)CCCC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000123542684 1414768531 /nfs/dbraw/zinc/76/85/31/1414768531.db2.gz BLBGBIJMYNVBAL-UHFFFAOYSA-N 2 2 376.476 3.342 20 0 GGADLP O=C(C[NH2+]C1(c2ccccc2)CCC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000123579749 1414781721 /nfs/dbraw/zinc/78/17/21/1414781721.db2.gz BKFUBWNKDWASDP-UHFFFAOYSA-N 2 2 379.504 3.126 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000123630005 1414800697 /nfs/dbraw/zinc/80/06/97/1414800697.db2.gz RORBNCYXCQMOET-UHFFFAOYSA-N 2 2 387.553 3.028 20 0 GGADLP Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123649888 1414803990 /nfs/dbraw/zinc/80/39/90/1414803990.db2.gz NHSXUIWNVVCXDE-UHFFFAOYSA-N 2 2 383.544 3.060 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123674267 1414807564 /nfs/dbraw/zinc/80/75/64/1414807564.db2.gz QUAQKJDLUYZSPO-HUUCEWRRSA-N 2 2 390.915 3.364 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123674267 1414807568 /nfs/dbraw/zinc/80/75/68/1414807568.db2.gz QUAQKJDLUYZSPO-HUUCEWRRSA-N 2 2 390.915 3.364 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000123780701 1414823744 /nfs/dbraw/zinc/82/37/44/1414823744.db2.gz ADTVSRWETBNZBS-CQSZACIVSA-N 2 2 396.413 3.212 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000123780701 1414823749 /nfs/dbraw/zinc/82/37/49/1414823749.db2.gz ADTVSRWETBNZBS-CQSZACIVSA-N 2 2 396.413 3.212 20 0 GGADLP C[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123815678 1414828549 /nfs/dbraw/zinc/82/85/49/1414828549.db2.gz YBMWRNOHJUDYDB-BEFAXECRSA-N 2 2 378.879 3.265 20 0 GGADLP C[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000123815678 1414828552 /nfs/dbraw/zinc/82/85/52/1414828552.db2.gz YBMWRNOHJUDYDB-BEFAXECRSA-N 2 2 378.879 3.265 20 0 GGADLP CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000124197965 1414906597 /nfs/dbraw/zinc/90/65/97/1414906597.db2.gz PFQFDISVMZIWDX-IBGZPJMESA-N 2 2 398.551 3.146 20 0 GGADLP C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000177738254 1428846699 /nfs/dbraw/zinc/84/66/99/1428846699.db2.gz KTYMCRNJOACIEK-WIYYLYMNSA-N 2 2 381.524 3.272 20 0 GGADLP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000124212857 1414909973 /nfs/dbraw/zinc/90/99/73/1414909973.db2.gz WSPLQUVFTAYPSS-UHFFFAOYSA-N 2 2 384.568 3.165 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000124215261 1414910729 /nfs/dbraw/zinc/91/07/29/1414910729.db2.gz DCRSNIZJNLAHQK-UHFFFAOYSA-N 2 2 386.883 3.435 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000124215261 1414910733 /nfs/dbraw/zinc/91/07/33/1414910733.db2.gz DCRSNIZJNLAHQK-UHFFFAOYSA-N 2 2 386.883 3.435 20 0 GGADLP Cc1ccc([C@@H](NC(=O)C[N@H+](C)CCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000124264619 1414924542 /nfs/dbraw/zinc/92/45/42/1414924542.db2.gz MXAPKLXMWDSILU-OAQYLSRUSA-N 2 2 382.533 3.481 20 0 GGADLP Cc1ccc([C@@H](NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2)c2cccs2)cc1 ZINC000124264619 1414924545 /nfs/dbraw/zinc/92/45/45/1414924545.db2.gz MXAPKLXMWDSILU-OAQYLSRUSA-N 2 2 382.533 3.481 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124340139 1414943599 /nfs/dbraw/zinc/94/35/99/1414943599.db2.gz TUWOPWAITLFSCV-FPOVZHCZSA-N 2 2 397.567 3.230 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000124340139 1414943603 /nfs/dbraw/zinc/94/36/03/1414943603.db2.gz TUWOPWAITLFSCV-FPOVZHCZSA-N 2 2 397.567 3.230 20 0 GGADLP C[C@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000177751883 1428850112 /nfs/dbraw/zinc/85/01/12/1428850112.db2.gz XBTHMMWBVPFGFR-SIKLNZKXSA-N 2 2 395.551 3.183 20 0 GGADLP Cc1nc(-c2cccs2)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000124397052 1414958292 /nfs/dbraw/zinc/95/82/92/1414958292.db2.gz DTAMWPZFSSKRKP-UHFFFAOYSA-N 2 2 398.576 3.407 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000124415646 1414963059 /nfs/dbraw/zinc/96/30/59/1414963059.db2.gz HTRCFANTEXKUBY-UHFFFAOYSA-N 2 2 391.447 3.245 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000124415646 1414963064 /nfs/dbraw/zinc/96/30/64/1414963064.db2.gz HTRCFANTEXKUBY-UHFFFAOYSA-N 2 2 391.447 3.245 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000124459409 1414973382 /nfs/dbraw/zinc/97/33/82/1414973382.db2.gz DZUNPJSBOKOBPO-QGZVFWFLSA-N 2 2 397.504 3.237 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1 ZINC000124459409 1414973383 /nfs/dbraw/zinc/97/33/83/1414973383.db2.gz DZUNPJSBOKOBPO-QGZVFWFLSA-N 2 2 397.504 3.237 20 0 GGADLP CN(C(=O)COc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124519075 1414985800 /nfs/dbraw/zinc/98/58/00/1414985800.db2.gz LPQPHHXOKKXAOW-RTWAWAEBSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)COc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124519075 1414985804 /nfs/dbraw/zinc/98/58/04/1414985804.db2.gz LPQPHHXOKKXAOW-RTWAWAEBSA-N 2 2 391.531 3.000 20 0 GGADLP CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124525103 1414986918 /nfs/dbraw/zinc/98/69/18/1414986918.db2.gz PYOSGBNMIZUXOO-FGZHOGPDSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124525103 1414986921 /nfs/dbraw/zinc/98/69/21/1414986921.db2.gz PYOSGBNMIZUXOO-FGZHOGPDSA-N 2 2 387.568 3.495 20 0 GGADLP Cc1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124562882 1414994978 /nfs/dbraw/zinc/99/49/78/1414994978.db2.gz FGKBLLZFNPXROA-MSOLQXFVSA-N 2 2 378.586 3.169 20 0 GGADLP Cc1nc(C)c(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124562882 1414994981 /nfs/dbraw/zinc/99/49/81/1414994981.db2.gz FGKBLLZFNPXROA-MSOLQXFVSA-N 2 2 378.586 3.169 20 0 GGADLP CN(C(=O)c1ccc(Cl)nc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124565484 1414995493 /nfs/dbraw/zinc/99/54/93/1414995493.db2.gz BURIORMHHSDSBT-MSOLQXFVSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccc(Cl)nc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124565484 1414995494 /nfs/dbraw/zinc/99/54/94/1414995494.db2.gz BURIORMHHSDSBT-MSOLQXFVSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124564991 1414995572 /nfs/dbraw/zinc/99/55/72/1414995572.db2.gz OTISGIVCDLJLLX-UXHICEINSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124564991 1414995578 /nfs/dbraw/zinc/99/55/78/1414995578.db2.gz OTISGIVCDLJLLX-UXHICEINSA-N 2 2 379.495 3.374 20 0 GGADLP Cc1nc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124584844 1414999820 /nfs/dbraw/zinc/99/98/20/1414999820.db2.gz UMRHYBSOWBMIBQ-RBUKOAKNSA-N 2 2 392.975 3.453 20 0 GGADLP Cc1nc(Cl)ccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124584844 1414999825 /nfs/dbraw/zinc/99/98/25/1414999825.db2.gz UMRHYBSOWBMIBQ-RBUKOAKNSA-N 2 2 392.975 3.453 20 0 GGADLP CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124610125 1415005088 /nfs/dbraw/zinc/00/50/88/1415005088.db2.gz DBPRPPBREIFDGF-YADHBBJMSA-N 2 2 385.552 3.298 20 0 GGADLP CC(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124610125 1415005094 /nfs/dbraw/zinc/00/50/94/1415005094.db2.gz DBPRPPBREIFDGF-YADHBBJMSA-N 2 2 385.552 3.298 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652986 1415014246 /nfs/dbraw/zinc/01/42/46/1415014246.db2.gz UGEXJQUHNIIAHE-UXHICEINSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000124652986 1415014250 /nfs/dbraw/zinc/01/42/50/1415014250.db2.gz UGEXJQUHNIIAHE-UXHICEINSA-N 2 2 391.531 3.244 20 0 GGADLP CN(C(=O)c1cc(Cl)cn1C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124658802 1415015111 /nfs/dbraw/zinc/01/51/11/1415015111.db2.gz BEMFJPQJQMKMDT-MSOLQXFVSA-N 2 2 380.964 3.088 20 0 GGADLP CN(C(=O)c1cc(Cl)cn1C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124658802 1415015115 /nfs/dbraw/zinc/01/51/15/1415015115.db2.gz BEMFJPQJQMKMDT-MSOLQXFVSA-N 2 2 380.964 3.088 20 0 GGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000124686538 1415021360 /nfs/dbraw/zinc/02/13/60/1415021360.db2.gz RNAAEPYTPYZXAW-WINIVTDRSA-N 2 2 385.577 3.287 20 0 GGADLP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177777108 1428856161 /nfs/dbraw/zinc/85/61/61/1428856161.db2.gz ZBBLNRKGPALNDU-NRFANRHFSA-N 2 2 391.519 3.388 20 0 GGADLP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177777108 1428856163 /nfs/dbraw/zinc/85/61/63/1428856163.db2.gz ZBBLNRKGPALNDU-NRFANRHFSA-N 2 2 391.519 3.388 20 0 GGADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124689312 1415022235 /nfs/dbraw/zinc/02/22/35/1415022235.db2.gz AFSIZQKIMIZHAJ-WOJBJXKFSA-N 2 2 389.588 3.047 20 0 GGADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124689312 1415022239 /nfs/dbraw/zinc/02/22/39/1415022239.db2.gz AFSIZQKIMIZHAJ-WOJBJXKFSA-N 2 2 389.588 3.047 20 0 GGADLP CN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124702443 1415025444 /nfs/dbraw/zinc/02/54/44/1415025444.db2.gz UEHMJAREHIDFBW-UXHICEINSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cc(F)cc(F)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124702443 1415025447 /nfs/dbraw/zinc/02/54/47/1415025447.db2.gz UEHMJAREHIDFBW-UXHICEINSA-N 2 2 379.495 3.374 20 0 GGADLP CC1(C)CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177792006 1428859267 /nfs/dbraw/zinc/85/92/67/1428859267.db2.gz GPWCEBDOWZNZAZ-UHFFFAOYSA-N 2 2 377.492 3.140 20 0 GGADLP CC1(C)CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177792006 1428859269 /nfs/dbraw/zinc/85/92/69/1428859269.db2.gz GPWCEBDOWZNZAZ-UHFFFAOYSA-N 2 2 377.492 3.140 20 0 GGADLP CN(C(=O)c1cc(-c2ccco2)n[nH]1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124742931 1415033747 /nfs/dbraw/zinc/03/37/47/1415033747.db2.gz OLVVUKZNYJYCHG-PMACEKPBSA-N 2 2 399.539 3.079 20 0 GGADLP CN(C(=O)c1cc(-c2ccco2)n[nH]1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124742931 1415033753 /nfs/dbraw/zinc/03/37/53/1415033753.db2.gz OLVVUKZNYJYCHG-PMACEKPBSA-N 2 2 399.539 3.079 20 0 GGADLP COc1csc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124763099 1415038414 /nfs/dbraw/zinc/03/84/14/1415038414.db2.gz OTAVLZMGWKWPFW-ROUUACIJSA-N 2 2 379.570 3.166 20 0 GGADLP COc1csc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124763099 1415038420 /nfs/dbraw/zinc/03/84/20/1415038420.db2.gz OTAVLZMGWKWPFW-ROUUACIJSA-N 2 2 379.570 3.166 20 0 GGADLP CN(C(=O)c1csc(C2CC2)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124772358 1415040703 /nfs/dbraw/zinc/04/07/03/1415040703.db2.gz DQEKFDRORRFPPA-OALUTQOASA-N 2 2 390.597 3.430 20 0 GGADLP CN(C(=O)c1csc(C2CC2)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124772358 1415040706 /nfs/dbraw/zinc/04/07/06/1415040706.db2.gz DQEKFDRORRFPPA-OALUTQOASA-N 2 2 390.597 3.430 20 0 GGADLP CCOc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124781122 1415042545 /nfs/dbraw/zinc/04/25/45/1415042545.db2.gz HNTFXXWVONPEKF-FGZHOGPDSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124781122 1415042550 /nfs/dbraw/zinc/04/25/50/1415042550.db2.gz HNTFXXWVONPEKF-FGZHOGPDSA-N 2 2 387.568 3.495 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000124781962 1415042695 /nfs/dbraw/zinc/04/26/95/1415042695.db2.gz SIGMLZTVMXJYJC-IFMALSPDSA-N 2 2 393.535 3.090 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000124781962 1415042702 /nfs/dbraw/zinc/04/27/02/1415042702.db2.gz SIGMLZTVMXJYJC-IFMALSPDSA-N 2 2 393.535 3.090 20 0 GGADLP C[C@H](Oc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124797609 1415045836 /nfs/dbraw/zinc/04/58/36/1415045836.db2.gz LOXQYFNIUOOLTE-YUXAGFNASA-N 2 2 387.568 3.250 20 0 GGADLP C[C@H](Oc1ccccc1)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124797609 1415045843 /nfs/dbraw/zinc/04/58/43/1415045843.db2.gz LOXQYFNIUOOLTE-YUXAGFNASA-N 2 2 387.568 3.250 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC000124839267 1415056097 /nfs/dbraw/zinc/05/60/97/1415056097.db2.gz BNGDSZZNEKMANL-MRXNPFEDSA-N 2 2 375.542 3.122 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124840449 1415056374 /nfs/dbraw/zinc/05/63/74/1415056374.db2.gz JNSNMCGZDRIFKC-RTWAWAEBSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124840449 1415056379 /nfs/dbraw/zinc/05/63/79/1415056379.db2.gz JNSNMCGZDRIFKC-RTWAWAEBSA-N 2 2 393.522 3.303 20 0 GGADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000177806684 1428861906 /nfs/dbraw/zinc/86/19/06/1428861906.db2.gz CQWZCFSPBSAZJN-MRXNPFEDSA-N 2 2 384.505 3.485 20 0 GGADLP COc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124853413 1415059680 /nfs/dbraw/zinc/05/96/80/1415059680.db2.gz PUJFTGIWKBBQBM-YADHBBJMSA-N 2 2 387.568 3.033 20 0 GGADLP COc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124853413 1415059684 /nfs/dbraw/zinc/05/96/84/1415059684.db2.gz PUJFTGIWKBBQBM-YADHBBJMSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000124864502 1415061683 /nfs/dbraw/zinc/06/16/83/1415061683.db2.gz UPTKHIVOMIRXHG-FGZHOGPDSA-N 2 2 387.568 3.413 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000124864502 1415061685 /nfs/dbraw/zinc/06/16/85/1415061685.db2.gz UPTKHIVOMIRXHG-FGZHOGPDSA-N 2 2 387.568 3.413 20 0 GGADLP CN(C(=O)c1ccnc(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124863882 1415061735 /nfs/dbraw/zinc/06/17/35/1415061735.db2.gz XPSSOQWFDGURCP-ROUUACIJSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1ccnc(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124863882 1415061737 /nfs/dbraw/zinc/06/17/37/1415061737.db2.gz XPSSOQWFDGURCP-ROUUACIJSA-N 2 2 378.948 3.144 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000124864728 1415062416 /nfs/dbraw/zinc/06/24/16/1415062416.db2.gz UPTKHIVOMIRXHG-YADHBBJMSA-N 2 2 387.568 3.413 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000124864728 1415062421 /nfs/dbraw/zinc/06/24/21/1415062421.db2.gz UPTKHIVOMIRXHG-YADHBBJMSA-N 2 2 387.568 3.413 20 0 GGADLP CN(C(=O)C[C@@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124892042 1415068210 /nfs/dbraw/zinc/06/82/10/1415068210.db2.gz UAOADKYKRFNBEU-QRVBRYPASA-N 2 2 399.670 3.021 20 0 GGADLP CN(C(=O)C[C@@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124892042 1415068213 /nfs/dbraw/zinc/06/82/13/1415068213.db2.gz UAOADKYKRFNBEU-QRVBRYPASA-N 2 2 399.670 3.021 20 0 GGADLP C[C@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177789038 1428858823 /nfs/dbraw/zinc/85/88/23/1428858823.db2.gz LOPHQHBICOMJGN-SFHVURJKSA-N 2 2 377.492 3.140 20 0 GGADLP C[C@H]1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177789038 1428858826 /nfs/dbraw/zinc/85/88/26/1428858826.db2.gz LOPHQHBICOMJGN-SFHVURJKSA-N 2 2 377.492 3.140 20 0 GGADLP COc1ccccc1[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125015546 1415092391 /nfs/dbraw/zinc/09/23/91/1415092391.db2.gz CIXXRRWOZPUQIL-SFHVURJKSA-N 2 2 397.519 3.207 20 0 GGADLP CC[C@H](C)n1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C1CC1 ZINC000125033372 1415095737 /nfs/dbraw/zinc/09/57/37/1415095737.db2.gz GORGQAOOZZYUSE-INIZCTEOSA-N 2 2 387.572 3.020 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CN(C3CCCC3)C2=O)CC1 ZINC000125570329 1415228532 /nfs/dbraw/zinc/22/85/32/1415228532.db2.gz KQBZSQAVVXUUQA-SFHVURJKSA-N 2 2 390.572 3.127 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CN(C3CCCC3)C2=O)CC1 ZINC000125570329 1415228539 /nfs/dbraw/zinc/22/85/39/1415228539.db2.gz KQBZSQAVVXUUQA-SFHVURJKSA-N 2 2 390.572 3.127 20 0 GGADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1F ZINC000125671212 1415250861 /nfs/dbraw/zinc/25/08/61/1415250861.db2.gz DWTWRAOBNHSKMH-FQEVSTJZSA-N 2 2 394.510 3.274 20 0 GGADLP Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000125670994 1415250993 /nfs/dbraw/zinc/25/09/93/1415250993.db2.gz FXKLMANBXCGQDD-UXHICEINSA-N 2 2 398.595 3.441 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000125672387 1415251518 /nfs/dbraw/zinc/25/15/18/1415251518.db2.gz FTHAOPYGOMINME-NFBKMPQASA-N 2 2 398.595 3.256 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000177896694 1428886529 /nfs/dbraw/zinc/88/65/29/1428886529.db2.gz HBLVMGRMDPKHEN-LJQANCHMSA-N 2 2 395.551 3.180 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)c1cccc(OC)c1 ZINC000177917320 1428891202 /nfs/dbraw/zinc/89/12/02/1428891202.db2.gz QJYRHBRKWXYCQR-HXUWFJFHSA-N 2 2 395.507 3.225 20 0 GGADLP c1c[nH]c([C@@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)n1 ZINC000125832445 1415293066 /nfs/dbraw/zinc/29/30/66/1415293066.db2.gz QSFUPEDIBKVYLA-QHCPKHFHSA-N 2 2 389.547 3.297 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000125845583 1415295771 /nfs/dbraw/zinc/29/57/71/1415295771.db2.gz CVYWTMXBLCBBJC-UHFFFAOYSA-N 2 2 384.430 3.355 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177956763 1428899727 /nfs/dbraw/zinc/89/97/27/1428899727.db2.gz KPUPJHLJNPLIDV-QGZVFWFLSA-N 2 2 377.492 3.359 20 0 GGADLP CCCCn1nc(C)c(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1Cl ZINC000126043207 1415342955 /nfs/dbraw/zinc/34/29/55/1415342955.db2.gz WCKVLFJMUXGHAT-UHFFFAOYSA-N 2 2 390.963 3.082 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000177967289 1428907089 /nfs/dbraw/zinc/90/70/89/1428907089.db2.gz NBRCWFOCZDAQLJ-XLIONFOSSA-N 2 2 377.492 3.187 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000177967289 1428907093 /nfs/dbraw/zinc/90/70/93/1428907093.db2.gz NBRCWFOCZDAQLJ-XLIONFOSSA-N 2 2 377.492 3.187 20 0 GGADLP Cc1nn(C)cc1[C@H](C)[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000177979255 1428912590 /nfs/dbraw/zinc/91/25/90/1428912590.db2.gz DSWWJVXFPGUDJJ-INIZCTEOSA-N 2 2 375.948 3.245 20 0 GGADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000126353040 1415424984 /nfs/dbraw/zinc/42/49/84/1415424984.db2.gz LVJRJXODWSKRMG-ROUUACIJSA-N 2 2 378.586 3.114 20 0 GGADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)C1 ZINC000126353040 1415424988 /nfs/dbraw/zinc/42/49/88/1415424988.db2.gz LVJRJXODWSKRMG-ROUUACIJSA-N 2 2 378.586 3.114 20 0 GGADLP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000126378002 1415430625 /nfs/dbraw/zinc/43/06/25/1415430625.db2.gz HYZUDEIBSFTEPY-QFIPXVFZSA-N 2 2 379.504 3.252 20 0 GGADLP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000126378002 1415430629 /nfs/dbraw/zinc/43/06/29/1415430629.db2.gz HYZUDEIBSFTEPY-QFIPXVFZSA-N 2 2 379.504 3.252 20 0 GGADLP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2C1 ZINC000126378002 1415430632 /nfs/dbraw/zinc/43/06/32/1415430632.db2.gz HYZUDEIBSFTEPY-QFIPXVFZSA-N 2 2 379.504 3.252 20 0 GGADLP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C1 ZINC000126378002 1415430637 /nfs/dbraw/zinc/43/06/37/1415430637.db2.gz HYZUDEIBSFTEPY-QFIPXVFZSA-N 2 2 379.504 3.252 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178004370 1428929016 /nfs/dbraw/zinc/92/90/16/1428929016.db2.gz IGRIYYJPAANAFU-HOJAQTOUSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000178004370 1428929022 /nfs/dbraw/zinc/92/90/22/1428929022.db2.gz IGRIYYJPAANAFU-HOJAQTOUSA-N 2 2 388.556 3.281 20 0 GGADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000126416722 1415445930 /nfs/dbraw/zinc/44/59/30/1415445930.db2.gz SQZPDUBAYRABGJ-RTBURBONSA-N 2 2 398.551 3.290 20 0 GGADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000126416939 1415446883 /nfs/dbraw/zinc/44/68/83/1415446883.db2.gz SQZPDUBAYRABGJ-OALUTQOASA-N 2 2 398.551 3.290 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000177996018 1428922540 /nfs/dbraw/zinc/92/25/40/1428922540.db2.gz TUFMIGDQOYPNGL-XXBNENTESA-N 2 2 392.547 3.204 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(CN2CCCC2=O)c1 ZINC000177996018 1428922541 /nfs/dbraw/zinc/92/25/41/1428922541.db2.gz TUFMIGDQOYPNGL-XXBNENTESA-N 2 2 392.547 3.204 20 0 GGADLP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000178016371 1428937989 /nfs/dbraw/zinc/93/79/89/1428937989.db2.gz KFUOHWJYGKBJET-CEXWTWQISA-N 2 2 388.556 3.101 20 0 GGADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000178016371 1428938004 /nfs/dbraw/zinc/93/80/04/1428938004.db2.gz KFUOHWJYGKBJET-CEXWTWQISA-N 2 2 388.556 3.101 20 0 GGADLP CC[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000178016371 1428938015 /nfs/dbraw/zinc/93/80/15/1428938015.db2.gz KFUOHWJYGKBJET-CEXWTWQISA-N 2 2 388.556 3.101 20 0 GGADLP CC[NH+](C)C[C@H]1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000178016371 1428938036 /nfs/dbraw/zinc/93/80/36/1428938036.db2.gz KFUOHWJYGKBJET-CEXWTWQISA-N 2 2 388.556 3.101 20 0 GGADLP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)c1 ZINC000126655845 1415518750 /nfs/dbraw/zinc/51/87/50/1415518750.db2.gz VIAFVUXTEXKBTH-SFHVURJKSA-N 2 2 383.536 3.302 20 0 GGADLP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000126655845 1415518758 /nfs/dbraw/zinc/51/87/58/1415518758.db2.gz VIAFVUXTEXKBTH-SFHVURJKSA-N 2 2 383.536 3.302 20 0 GGADLP CC(C)Oc1cccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000126689803 1415527625 /nfs/dbraw/zinc/52/76/25/1415527625.db2.gz NLTYTPDBLYMSHV-UHFFFAOYSA-N 2 2 384.520 3.475 20 0 GGADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c(OC)c1 ZINC000126730773 1415541749 /nfs/dbraw/zinc/54/17/49/1415541749.db2.gz QQEYTYNLQGOBMW-SFHVURJKSA-N 2 2 383.536 3.302 20 0 GGADLP CC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000126951296 1415616868 /nfs/dbraw/zinc/61/68/68/1415616868.db2.gz ZCOZBTGWUMLYQK-MOPGFXCFSA-N 2 2 376.545 3.207 20 0 GGADLP CC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000126951296 1415616876 /nfs/dbraw/zinc/61/68/76/1415616876.db2.gz ZCOZBTGWUMLYQK-MOPGFXCFSA-N 2 2 376.545 3.207 20 0 GGADLP CC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)no1 ZINC000126950841 1415617264 /nfs/dbraw/zinc/61/72/64/1415617264.db2.gz ZCOZBTGWUMLYQK-OALUTQOASA-N 2 2 376.545 3.207 20 0 GGADLP CC(C)c1cc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)no1 ZINC000126950841 1415617267 /nfs/dbraw/zinc/61/72/67/1415617267.db2.gz ZCOZBTGWUMLYQK-OALUTQOASA-N 2 2 376.545 3.207 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000127041159 1415646042 /nfs/dbraw/zinc/64/60/42/1415646042.db2.gz BRJRNQVZBNFQFP-UHFFFAOYSA-N 2 2 390.487 3.329 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)CC1 ZINC000127229059 1415695313 /nfs/dbraw/zinc/69/53/13/1415695313.db2.gz MXXWHLOPPQMOKR-SFHVURJKSA-N 3 2 376.564 3.493 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccccc3NCc3ccco3)CC2)CC1 ZINC000127452786 1415783511 /nfs/dbraw/zinc/78/35/11/1415783511.db2.gz TXOKFWLIKLQWKT-UHFFFAOYSA-N 2 2 396.535 3.180 20 0 GGADLP CCCC[N@H+](C)CC1CCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000127463773 1415789271 /nfs/dbraw/zinc/78/92/71/1415789271.db2.gz RNTOOQDRLQFMCQ-UHFFFAOYSA-N 2 2 376.545 3.361 20 0 GGADLP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000127463773 1415789279 /nfs/dbraw/zinc/78/92/79/1415789279.db2.gz RNTOOQDRLQFMCQ-UHFFFAOYSA-N 2 2 376.545 3.361 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(Cc3ccc(F)cc3)C3CC3)CC2)CC1 ZINC000127482711 1415797990 /nfs/dbraw/zinc/79/79/90/1415797990.db2.gz RYTHQVYLSDNDSI-UHFFFAOYSA-N 2 2 388.531 3.058 20 0 GGADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000127486288 1415798653 /nfs/dbraw/zinc/79/86/53/1415798653.db2.gz JLAZJMXRAIGBCX-OAHLLOKOSA-N 2 2 378.948 3.259 20 0 GGADLP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CCC(C)(C)CC1 ZINC000127678467 1415831315 /nfs/dbraw/zinc/83/13/15/1415831315.db2.gz YGBSUABOTNAORE-UHFFFAOYSA-N 2 2 387.568 3.036 20 0 GGADLP C[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CCC(C)(C)CC1 ZINC000127678467 1415831322 /nfs/dbraw/zinc/83/13/22/1415831322.db2.gz YGBSUABOTNAORE-UHFFFAOYSA-N 2 2 387.568 3.036 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000127827532 1415858055 /nfs/dbraw/zinc/85/80/55/1415858055.db2.gz MCRDXLUTFVQVPA-UWJYYQICSA-N 2 2 396.539 3.058 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000127827078 1415858063 /nfs/dbraw/zinc/85/80/63/1415858063.db2.gz MCRDXLUTFVQVPA-LAUBAEHRSA-N 2 2 396.539 3.058 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000127916235 1415875516 /nfs/dbraw/zinc/87/55/16/1415875516.db2.gz PITPVHPKPURVTK-MBSDFSHPSA-N 2 2 393.510 3.449 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000127916235 1415875520 /nfs/dbraw/zinc/87/55/20/1415875520.db2.gz PITPVHPKPURVTK-MBSDFSHPSA-N 2 2 393.510 3.449 20 0 GGADLP COc1cc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000127937950 1415878694 /nfs/dbraw/zinc/87/86/94/1415878694.db2.gz HBKKYCDYRUWSLM-KDURUIRLSA-N 2 2 399.535 3.258 20 0 GGADLP COc1cc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000127937950 1415878695 /nfs/dbraw/zinc/87/86/95/1415878695.db2.gz HBKKYCDYRUWSLM-KDURUIRLSA-N 2 2 399.535 3.258 20 0 GGADLP COc1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1OCc1cccnc1 ZINC000127937648 1415878778 /nfs/dbraw/zinc/87/87/78/1415878778.db2.gz DZQWAASAUGKLPT-RTBURBONSA-N 2 2 399.535 3.258 20 0 GGADLP COc1cccc2c(NCc3cccnc3N3CC[NH+](C)CC3)cc(C)[nH+]c12 ZINC000178188742 1429013358 /nfs/dbraw/zinc/01/33/58/1429013358.db2.gz SBXYMSFEYACIAB-UHFFFAOYSA-N 2 2 377.492 3.311 20 0 GGADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000128009504 1415892592 /nfs/dbraw/zinc/89/25/92/1415892592.db2.gz WDFDULZXIINNPP-LJQANCHMSA-N 2 2 398.507 3.487 20 0 GGADLP CC[NH+](CC)CCOc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000178205197 1429018223 /nfs/dbraw/zinc/01/82/23/1429018223.db2.gz YDGLJRQKRVTBOO-UHFFFAOYSA-N 2 2 381.480 3.377 20 0 GGADLP COc1ccc(Br)c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000128194799 1415936130 /nfs/dbraw/zinc/93/61/30/1415936130.db2.gz ZPGZLOLNMVFNDP-CQSZACIVSA-N 2 2 383.330 3.048 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000128359275 1415970859 /nfs/dbraw/zinc/97/08/59/1415970859.db2.gz DXARPXTWLCQQLR-ICSRJNTNSA-N 2 2 381.524 3.093 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCCNc1cccc[nH+]1 ZINC000128359275 1415970863 /nfs/dbraw/zinc/97/08/63/1415970863.db2.gz DXARPXTWLCQQLR-ICSRJNTNSA-N 2 2 381.524 3.093 20 0 GGADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc2ccccc2n1 ZINC000178249321 1429032594 /nfs/dbraw/zinc/03/25/94/1429032594.db2.gz IVENEWVXPILDHL-SFHVURJKSA-N 2 2 389.503 3.019 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000128496490 1416000293 /nfs/dbraw/zinc/00/02/93/1416000293.db2.gz KDSZLPILRZGLSM-FUHWJXTLSA-N 2 2 383.458 3.080 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000128496490 1416000297 /nfs/dbraw/zinc/00/02/97/1416000297.db2.gz KDSZLPILRZGLSM-FUHWJXTLSA-N 2 2 383.458 3.080 20 0 GGADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178262335 1429036676 /nfs/dbraw/zinc/03/66/76/1429036676.db2.gz ILXJQTONVYWMTG-FQEVSTJZSA-N 2 2 385.552 3.420 20 0 GGADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178262335 1429036688 /nfs/dbraw/zinc/03/66/88/1429036688.db2.gz ILXJQTONVYWMTG-FQEVSTJZSA-N 2 2 385.552 3.420 20 0 GGADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178262326 1429036788 /nfs/dbraw/zinc/03/67/88/1429036788.db2.gz ILXJQTONVYWMTG-HXUWFJFHSA-N 2 2 385.552 3.420 20 0 GGADLP Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178262326 1429036797 /nfs/dbraw/zinc/03/67/97/1429036797.db2.gz ILXJQTONVYWMTG-HXUWFJFHSA-N 2 2 385.552 3.420 20 0 GGADLP COc1ccc(Br)c(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c1 ZINC000128606939 1416024108 /nfs/dbraw/zinc/02/41/08/1416024108.db2.gz WMFAEVAPTOWLDJ-UHFFFAOYSA-N 2 2 385.346 3.437 20 0 GGADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C(C)(C)c1ccccc1 ZINC000128654148 1416034586 /nfs/dbraw/zinc/03/45/86/1416034586.db2.gz DWDCUIJKBKTRNX-IBGZPJMESA-N 2 2 380.536 3.076 20 0 GGADLP Cc1cccc(C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000128809620 1416074242 /nfs/dbraw/zinc/07/42/42/1416074242.db2.gz WVQKYVBHVPDZQG-QFIPXVFZSA-N 2 2 392.547 3.040 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000128872776 1416090248 /nfs/dbraw/zinc/09/02/48/1416090248.db2.gz LROPVQRPUFUCNR-UHFFFAOYSA-N 2 2 395.551 3.339 20 0 GGADLP C[C@H]1C[C@H](NC(=O)NCc2ccccc2-n2cc[nH+]c2)C[N@H+]1Cc1ccccc1 ZINC000128900503 1416096440 /nfs/dbraw/zinc/09/64/40/1416096440.db2.gz IFKBJJZSSSUYSF-RXVVDRJESA-N 2 2 389.503 3.335 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[NH+](C)C)cc1 ZINC000128954307 1416112132 /nfs/dbraw/zinc/11/21/32/1416112132.db2.gz HNWDFVZYERPTRH-JOCHJYFZSA-N 2 2 391.519 3.342 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]CCC(=O)NCc3ccccc3)CC2)cc1 ZINC000129273893 1416183429 /nfs/dbraw/zinc/18/34/29/1416183429.db2.gz IENIGPLXLHTBJC-UHFFFAOYSA-N 2 2 380.536 3.018 20 0 GGADLP Cc1c(C(=O)Nc2ccccc2C[NH+]2CCSCC2)cnn1-c1cc[nH+]cc1 ZINC000129370781 1416198108 /nfs/dbraw/zinc/19/81/08/1416198108.db2.gz CHIPXCBGCUBNRL-UHFFFAOYSA-N 2 2 393.516 3.377 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129486591 1416217593 /nfs/dbraw/zinc/21/75/93/1416217593.db2.gz AQKBNESDURWAEP-XXBNENTESA-N 2 2 375.520 3.327 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129486591 1416217596 /nfs/dbraw/zinc/21/75/96/1416217596.db2.gz AQKBNESDURWAEP-XXBNENTESA-N 2 2 375.520 3.327 20 0 GGADLP CCOc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OCC ZINC000129539093 1416224538 /nfs/dbraw/zinc/22/45/38/1416224538.db2.gz ITYDCIVZLKRWDR-FUHWJXTLSA-N 2 2 386.496 3.202 20 0 GGADLP CCOc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1OCC ZINC000129539093 1416224541 /nfs/dbraw/zinc/22/45/41/1416224541.db2.gz ITYDCIVZLKRWDR-FUHWJXTLSA-N 2 2 386.496 3.202 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000129613917 1416237294 /nfs/dbraw/zinc/23/72/94/1416237294.db2.gz UGKULQIACFYVAQ-AEFFLSMTSA-N 2 2 396.491 3.446 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@@H]1n1cc[nH+]c1 ZINC000129613917 1416237300 /nfs/dbraw/zinc/23/73/00/1416237300.db2.gz UGKULQIACFYVAQ-AEFFLSMTSA-N 2 2 396.491 3.446 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000129749505 1416257671 /nfs/dbraw/zinc/25/76/71/1416257671.db2.gz VZJYJGKQWGIITG-ROUUACIJSA-N 2 2 384.524 3.011 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000129749272 1416257909 /nfs/dbraw/zinc/25/79/09/1416257909.db2.gz VZJYJGKQWGIITG-QZTJIDSGSA-N 2 2 384.524 3.011 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000129757266 1416259352 /nfs/dbraw/zinc/25/93/52/1416259352.db2.gz UVBIXZFDCQENJX-DYXWJJEUSA-N 2 2 384.524 3.050 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000129757266 1416259355 /nfs/dbraw/zinc/25/93/55/1416259355.db2.gz UVBIXZFDCQENJX-DYXWJJEUSA-N 2 2 384.524 3.050 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000129769757 1416260933 /nfs/dbraw/zinc/26/09/33/1416260933.db2.gz HIUNLXJFGXAHPU-VDZJLULYSA-N 2 2 383.496 3.120 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000129769757 1416260937 /nfs/dbraw/zinc/26/09/37/1416260937.db2.gz HIUNLXJFGXAHPU-VDZJLULYSA-N 2 2 383.496 3.120 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129848701 1416273679 /nfs/dbraw/zinc/27/36/79/1416273679.db2.gz RFOGVQYYFCTWGU-FPOVZHCZSA-N 2 2 380.536 3.394 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129848701 1416273683 /nfs/dbraw/zinc/27/36/83/1416273683.db2.gz RFOGVQYYFCTWGU-FPOVZHCZSA-N 2 2 380.536 3.394 20 0 GGADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000129962860 1416292309 /nfs/dbraw/zinc/29/23/09/1416292309.db2.gz PADJCJQFNJOPOE-YJBOKZPZSA-N 2 2 396.938 3.037 20 0 GGADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000129962860 1416292311 /nfs/dbraw/zinc/29/23/11/1416292311.db2.gz PADJCJQFNJOPOE-YJBOKZPZSA-N 2 2 396.938 3.037 20 0 GGADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130430015 1416376968 /nfs/dbraw/zinc/37/69/68/1416376968.db2.gz QDLPFCHVZRHFDS-CQSZACIVSA-N 2 2 382.464 3.489 20 0 GGADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130430015 1416376975 /nfs/dbraw/zinc/37/69/75/1416376975.db2.gz QDLPFCHVZRHFDS-CQSZACIVSA-N 2 2 382.464 3.489 20 0 GGADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130429776 1416377075 /nfs/dbraw/zinc/37/70/75/1416377075.db2.gz QDLPFCHVZRHFDS-AWEZNQCLSA-N 2 2 382.464 3.489 20 0 GGADLP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130429776 1416377078 /nfs/dbraw/zinc/37/70/78/1416377078.db2.gz QDLPFCHVZRHFDS-AWEZNQCLSA-N 2 2 382.464 3.489 20 0 GGADLP C[C@@H](CSc1ccc(F)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000130550778 1416397524 /nfs/dbraw/zinc/39/75/24/1416397524.db2.gz CIVQKLHADUAFKU-INIZCTEOSA-N 2 2 393.572 3.229 20 0 GGADLP Cc1ccc(NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(OCC[NH+](C)C)c1 ZINC000130556698 1416398680 /nfs/dbraw/zinc/39/86/80/1416398680.db2.gz UYXAOTNSQJVOPQ-SFHVURJKSA-N 2 2 399.539 3.156 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000130677084 1416422734 /nfs/dbraw/zinc/42/27/34/1416422734.db2.gz VIXALDSSQAQUSJ-UHFFFAOYSA-N 2 2 384.480 3.194 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000130677084 1416422741 /nfs/dbraw/zinc/42/27/41/1416422741.db2.gz VIXALDSSQAQUSJ-UHFFFAOYSA-N 2 2 384.480 3.194 20 0 GGADLP Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c(OCC[NH+](C)C)c1 ZINC000130685287 1416424724 /nfs/dbraw/zinc/42/47/24/1416424724.db2.gz XESNZQPOQAYFTK-HKUYNNGSSA-N 2 2 385.512 3.247 20 0 GGADLP Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c(OCC[NH+](C)C)c1 ZINC000130685511 1416424776 /nfs/dbraw/zinc/42/47/76/1416424776.db2.gz XESNZQPOQAYFTK-MJGOQNOKSA-N 2 2 385.512 3.247 20 0 GGADLP CCOc1ccc2nc(NC(=O)C[N@H+](C)CCCn3cc[nH+]c3C)sc2c1 ZINC000130775674 1416448312 /nfs/dbraw/zinc/44/83/12/1416448312.db2.gz TVDHLJPHGXTZFR-UHFFFAOYSA-N 2 2 387.509 3.161 20 0 GGADLP CCOc1ccc2nc(NC(=O)C[N@@H+](C)CCCn3cc[nH+]c3C)sc2c1 ZINC000130775674 1416448323 /nfs/dbraw/zinc/44/83/23/1416448323.db2.gz TVDHLJPHGXTZFR-UHFFFAOYSA-N 2 2 387.509 3.161 20 0 GGADLP Fc1cc2cccnc2c(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000131236606 1416527605 /nfs/dbraw/zinc/52/76/05/1416527605.db2.gz WFIXFVXCWZALQN-UHFFFAOYSA-N 2 2 395.478 3.375 20 0 GGADLP COc1ccc(-c2noc([C@H](C)[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000131242460 1416528879 /nfs/dbraw/zinc/52/88/79/1416528879.db2.gz WCMPYUVFRGTTGA-JKSUJKDBSA-N 2 2 381.480 3.494 20 0 GGADLP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000131242460 1416528880 /nfs/dbraw/zinc/52/88/80/1416528880.db2.gz WCMPYUVFRGTTGA-JKSUJKDBSA-N 2 2 381.480 3.494 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000131287692 1416535434 /nfs/dbraw/zinc/53/54/34/1416535434.db2.gz FWQNGBUWIXTNEY-LJQANCHMSA-N 2 2 392.503 3.398 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(C(=O)NCc3ccco3)c2)C1 ZINC000131287692 1416535437 /nfs/dbraw/zinc/53/54/37/1416535437.db2.gz FWQNGBUWIXTNEY-LJQANCHMSA-N 2 2 392.503 3.398 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000131296245 1416536606 /nfs/dbraw/zinc/53/66/06/1416536606.db2.gz WXDQDWQIKNPWJO-HOCLYGCPSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000131296245 1416536608 /nfs/dbraw/zinc/53/66/08/1416536608.db2.gz WXDQDWQIKNPWJO-HOCLYGCPSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000131303227 1416537240 /nfs/dbraw/zinc/53/72/40/1416537240.db2.gz IUVGCFCAASZQLY-LBPRGKRZSA-N 2 2 391.397 3.342 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)C1 ZINC000131303227 1416537244 /nfs/dbraw/zinc/53/72/44/1416537244.db2.gz IUVGCFCAASZQLY-LBPRGKRZSA-N 2 2 391.397 3.342 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000131310081 1416538302 /nfs/dbraw/zinc/53/83/02/1416538302.db2.gz LVWNKYJBZQUMOA-OAHLLOKOSA-N 2 2 395.532 3.097 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1 ZINC000131310081 1416538304 /nfs/dbraw/zinc/53/83/04/1416538304.db2.gz LVWNKYJBZQUMOA-OAHLLOKOSA-N 2 2 395.532 3.097 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000131406064 1416552553 /nfs/dbraw/zinc/55/25/53/1416552553.db2.gz RUWUYZGXYQOOTN-NQIIRXRSSA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000131406064 1416552554 /nfs/dbraw/zinc/55/25/54/1416552554.db2.gz RUWUYZGXYQOOTN-NQIIRXRSSA-N 2 2 379.504 3.268 20 0 GGADLP CC(C)(C)c1cccc(OCCC[NH+]2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131457390 1416560718 /nfs/dbraw/zinc/56/07/18/1416560718.db2.gz UGWKJEITYSAGGT-NRFANRHFSA-N 2 2 387.568 3.167 20 0 GGADLP CC(C)(C)c1cccc(OCCC[NH+]2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC000131457390 1416560720 /nfs/dbraw/zinc/56/07/20/1416560720.db2.gz UGWKJEITYSAGGT-NRFANRHFSA-N 2 2 387.568 3.167 20 0 GGADLP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+]C[C@@](C)(O)C[NH+](C)C)c1 ZINC000131533850 1416572457 /nfs/dbraw/zinc/57/24/57/1416572457.db2.gz MJYXEONLPGCTKI-XMMPIXPASA-N 2 2 392.547 3.309 20 0 GGADLP COc1cc(C[NH2+]C[C@](C)(O)C[NH+](C)C)ccc1OCc1ccc(Cl)cc1 ZINC000131537225 1416572839 /nfs/dbraw/zinc/57/28/39/1416572839.db2.gz FZVZLPVZIXVYNE-NRFANRHFSA-N 2 2 392.927 3.330 20 0 GGADLP COc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)cc1NC(C)=O ZINC000132047162 1416682308 /nfs/dbraw/zinc/68/23/08/1416682308.db2.gz MINAAIQCNJRKBT-JXFKEZNVSA-N 2 2 382.508 3.049 20 0 GGADLP COc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)cc1NC(C)=O ZINC000132047162 1416682321 /nfs/dbraw/zinc/68/23/21/1416682321.db2.gz MINAAIQCNJRKBT-JXFKEZNVSA-N 2 2 382.508 3.049 20 0 GGADLP O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000132130976 1416703509 /nfs/dbraw/zinc/70/35/09/1416703509.db2.gz MRQMZOFBMPNJJP-SFTDATJTSA-N 2 2 379.508 3.038 20 0 GGADLP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000132200207 1416716126 /nfs/dbraw/zinc/71/61/26/1416716126.db2.gz UXULVCRERNLVCE-KRWDZBQOSA-N 2 2 386.927 3.127 20 0 GGADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)C1CCCCC1 ZINC000178621665 1429123790 /nfs/dbraw/zinc/12/37/90/1429123790.db2.gz KQQYSCQKIQBTHH-ZWKOTPCHSA-N 2 2 378.605 3.449 20 0 GGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000132485959 1416771064 /nfs/dbraw/zinc/77/10/64/1416771064.db2.gz PRWUUDHQIOZTAU-IEBWSBKVSA-N 2 2 381.524 3.089 20 0 GGADLP Cc1c(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cnn1-c1cc[nH+]cc1 ZINC000132767692 1416812636 /nfs/dbraw/zinc/81/26/36/1416812636.db2.gz WMCKMGXUJCUXRC-UHFFFAOYSA-N 2 2 389.503 3.312 20 0 GGADLP Cc1c(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cnn1-c1cc[nH+]cc1 ZINC000132767692 1416812638 /nfs/dbraw/zinc/81/26/38/1416812638.db2.gz WMCKMGXUJCUXRC-UHFFFAOYSA-N 2 2 389.503 3.312 20 0 GGADLP CC1CC[NH+](CCNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000132783691 1416814698 /nfs/dbraw/zinc/81/46/98/1416814698.db2.gz GCFRKJLBVKTSAE-SFTDATJTSA-N 2 2 381.524 3.143 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)CCO2 ZINC000178663752 1429132656 /nfs/dbraw/zinc/13/26/56/1429132656.db2.gz FLEWAEWQYRRSMM-SFHVURJKSA-N 2 2 382.504 3.183 20 0 GGADLP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000133453156 1416891281 /nfs/dbraw/zinc/89/12/81/1416891281.db2.gz USMJDTUPWIUVIH-HMXCVIKNSA-N 2 2 378.520 3.045 20 0 GGADLP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000133544102 1416899982 /nfs/dbraw/zinc/89/99/82/1416899982.db2.gz PHTPEIYJFMBLRN-UHFFFAOYSA-N 2 2 397.479 3.151 20 0 GGADLP O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000133630388 1416925463 /nfs/dbraw/zinc/92/54/63/1416925463.db2.gz XVXUYQYSKRKBBK-GOTSBHOMSA-N 2 2 393.531 3.383 20 0 GGADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000133640741 1416928985 /nfs/dbraw/zinc/92/89/85/1416928985.db2.gz CPAOROKUMMYSIW-JRGCBEDISA-N 2 2 381.524 3.143 20 0 GGADLP CCOc1cccc2cc([C@@H](C)[NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)oc21 ZINC000133649978 1416931512 /nfs/dbraw/zinc/93/15/12/1416931512.db2.gz QJBAAMMMMDAHLM-MRXNPFEDSA-N 2 2 395.507 3.224 20 0 GGADLP CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1OC(F)F ZINC000133873766 1416983768 /nfs/dbraw/zinc/98/37/68/1416983768.db2.gz XBOHNCAMISNKQE-QGZVFWFLSA-N 2 2 391.466 3.071 20 0 GGADLP Cc1ccc(C(=O)NCC[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1F ZINC000133921130 1416995253 /nfs/dbraw/zinc/99/52/53/1416995253.db2.gz DPJKTXCPYHYYQH-UHFFFAOYSA-N 2 2 398.526 3.189 20 0 GGADLP Cc1ccc(-c2ncco2)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000134080650 1417019263 /nfs/dbraw/zinc/01/92/63/1417019263.db2.gz PODFLXNXRZGOMM-UHFFFAOYSA-N 2 2 385.512 3.140 20 0 GGADLP Cc1ccc(-c2ncco2)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000134080650 1417019271 /nfs/dbraw/zinc/01/92/71/1417019271.db2.gz PODFLXNXRZGOMM-UHFFFAOYSA-N 2 2 385.512 3.140 20 0 GGADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1Cl ZINC000134340129 1417057391 /nfs/dbraw/zinc/05/73/91/1417057391.db2.gz WVWLPMXWYADPPM-CYBMUJFWSA-N 2 2 380.323 3.386 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134915331 1417144080 /nfs/dbraw/zinc/14/40/80/1417144080.db2.gz YUPBFKSQEJHQCB-XKCSPQBFSA-N 2 2 399.579 3.219 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134915331 1417144086 /nfs/dbraw/zinc/14/40/86/1417144086.db2.gz YUPBFKSQEJHQCB-XKCSPQBFSA-N 2 2 399.579 3.219 20 0 GGADLP C[C@H](OCCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134915331 1417144089 /nfs/dbraw/zinc/14/40/89/1417144089.db2.gz YUPBFKSQEJHQCB-XKCSPQBFSA-N 2 2 399.579 3.219 20 0 GGADLP C[C@H](OCCCNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134915331 1417144093 /nfs/dbraw/zinc/14/40/93/1417144093.db2.gz YUPBFKSQEJHQCB-XKCSPQBFSA-N 2 2 399.579 3.219 20 0 GGADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000134924022 1417145793 /nfs/dbraw/zinc/14/57/93/1417145793.db2.gz JQQQZLIDNHNBBP-HXOBKFHXSA-N 2 2 392.547 3.001 20 0 GGADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000134924022 1417145801 /nfs/dbraw/zinc/14/58/01/1417145801.db2.gz JQQQZLIDNHNBBP-HXOBKFHXSA-N 2 2 392.547 3.001 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000134924022 1417145807 /nfs/dbraw/zinc/14/58/07/1417145807.db2.gz JQQQZLIDNHNBBP-HXOBKFHXSA-N 2 2 392.547 3.001 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000134924022 1417145811 /nfs/dbraw/zinc/14/58/11/1417145811.db2.gz JQQQZLIDNHNBBP-HXOBKFHXSA-N 2 2 392.547 3.001 20 0 GGADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922342 1417145840 /nfs/dbraw/zinc/14/58/40/1417145840.db2.gz SWCXDYAQNMSNHJ-NEYJZJCJSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922342 1417145845 /nfs/dbraw/zinc/14/58/45/1417145845.db2.gz SWCXDYAQNMSNHJ-NEYJZJCJSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134922342 1417145849 /nfs/dbraw/zinc/14/58/49/1417145849.db2.gz SWCXDYAQNMSNHJ-NEYJZJCJSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134922342 1417145853 /nfs/dbraw/zinc/14/58/53/1417145853.db2.gz SWCXDYAQNMSNHJ-NEYJZJCJSA-N 2 2 385.552 3.210 20 0 GGADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134925448 1417146489 /nfs/dbraw/zinc/14/64/89/1417146489.db2.gz FOOSGKRGVYQKOJ-DENIHFKCSA-N 2 2 385.552 3.039 20 0 GGADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134925448 1417146494 /nfs/dbraw/zinc/14/64/94/1417146494.db2.gz FOOSGKRGVYQKOJ-DENIHFKCSA-N 2 2 385.552 3.039 20 0 GGADLP CC(C)Oc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134925448 1417146498 /nfs/dbraw/zinc/14/64/98/1417146498.db2.gz FOOSGKRGVYQKOJ-DENIHFKCSA-N 2 2 385.552 3.039 20 0 GGADLP CC(C)Oc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134925448 1417146501 /nfs/dbraw/zinc/14/65/01/1417146501.db2.gz FOOSGKRGVYQKOJ-DENIHFKCSA-N 2 2 385.552 3.039 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134934453 1417147838 /nfs/dbraw/zinc/14/78/38/1417147838.db2.gz ZVJKUCNACWDCIH-WRWLIDTKSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134934453 1417147839 /nfs/dbraw/zinc/14/78/39/1417147839.db2.gz ZVJKUCNACWDCIH-WRWLIDTKSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134934453 1417147843 /nfs/dbraw/zinc/14/78/43/1417147843.db2.gz ZVJKUCNACWDCIH-WRWLIDTKSA-N 2 2 375.944 3.293 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134934453 1417147845 /nfs/dbraw/zinc/14/78/45/1417147845.db2.gz ZVJKUCNACWDCIH-WRWLIDTKSA-N 2 2 375.944 3.293 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945402 1417149641 /nfs/dbraw/zinc/14/96/41/1417149641.db2.gz ZWVSZKCMESQPRC-OFNKIYASSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134945402 1417149650 /nfs/dbraw/zinc/14/96/50/1417149650.db2.gz ZWVSZKCMESQPRC-OFNKIYASSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134945402 1417149656 /nfs/dbraw/zinc/14/96/56/1417149656.db2.gz ZWVSZKCMESQPRC-OFNKIYASSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccccc1CNC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134945402 1417149659 /nfs/dbraw/zinc/14/96/59/1417149659.db2.gz ZWVSZKCMESQPRC-OFNKIYASSA-N 2 2 399.579 3.177 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Oc2nccs2)c1 ZINC000135491670 1417227714 /nfs/dbraw/zinc/22/77/14/1417227714.db2.gz WZQMOWUJLNJBQV-UHFFFAOYSA-N 2 2 388.537 3.033 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cccc(Oc2nccs2)c1 ZINC000135491670 1417227718 /nfs/dbraw/zinc/22/77/18/1417227718.db2.gz WZQMOWUJLNJBQV-UHFFFAOYSA-N 2 2 388.537 3.033 20 0 GGADLP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000135623829 1417248726 /nfs/dbraw/zinc/24/87/26/1417248726.db2.gz PVMAFQUMJIEORU-UHFFFAOYSA-N 2 2 396.535 3.154 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000136086386 1417290300 /nfs/dbraw/zinc/29/03/00/1417290300.db2.gz RJPAAWFCPFETMV-KDOFPFPSSA-N 2 2 378.879 3.217 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000136086386 1417290305 /nfs/dbraw/zinc/29/03/05/1417290305.db2.gz RJPAAWFCPFETMV-KDOFPFPSSA-N 2 2 378.879 3.217 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000136185169 1417299265 /nfs/dbraw/zinc/29/92/65/1417299265.db2.gz YYTYYSOTYZWCBB-TZIWHRDSSA-N 2 2 395.551 3.221 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000136185061 1417299611 /nfs/dbraw/zinc/29/96/11/1417299611.db2.gz YYTYYSOTYZWCBB-FPOVZHCZSA-N 2 2 395.551 3.221 20 0 GGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1OC(C)C ZINC000136582184 1417329327 /nfs/dbraw/zinc/32/93/27/1417329327.db2.gz WRYKKKSMORFFOF-WOJBJXKFSA-N 2 2 376.541 3.340 20 0 GGADLP CC(C)[C@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000136810669 1417347559 /nfs/dbraw/zinc/34/75/59/1417347559.db2.gz JOVJGLBZLRENNT-UXHICEINSA-N 2 2 389.588 3.141 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000136836864 1417349128 /nfs/dbraw/zinc/34/91/28/1417349128.db2.gz XQCGSPYGYHVFMV-TZIWHRDSSA-N 2 2 395.551 3.221 20 0 GGADLP CC(C)OC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136925418 1417355674 /nfs/dbraw/zinc/35/56/74/1417355674.db2.gz FVVQTOHKWVMFQL-LJQANCHMSA-N 2 2 388.474 3.388 20 0 GGADLP CC(C)OC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136925418 1417355682 /nfs/dbraw/zinc/35/56/82/1417355682.db2.gz FVVQTOHKWVMFQL-LJQANCHMSA-N 2 2 388.474 3.388 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)C1 ZINC000137215658 1417375653 /nfs/dbraw/zinc/37/56/53/1417375653.db2.gz PFKSQRFMAKFXMO-IBGZPJMESA-N 2 2 383.540 3.347 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCCn3cc[nH+]c3)cc2)C1 ZINC000137215658 1417375658 /nfs/dbraw/zinc/37/56/58/1417375658.db2.gz PFKSQRFMAKFXMO-IBGZPJMESA-N 2 2 383.540 3.347 20 0 GGADLP CC1CC[NH+]([C@H](CNC(=O)N(C)CCCn2cc[nH+]c2)c2ccccc2)CC1 ZINC000137350454 1417381221 /nfs/dbraw/zinc/38/12/21/1417381221.db2.gz NUGPCCCLIYGXRZ-OAQYLSRUSA-N 2 2 383.540 3.388 20 0 GGADLP CC1CCC(N(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)C2CC2)CC1 ZINC000138080348 1417404435 /nfs/dbraw/zinc/40/44/35/1417404435.db2.gz AUSZGJPGXHSRSP-UHFFFAOYSA-N 2 2 376.589 3.298 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000138917030 1417441655 /nfs/dbraw/zinc/44/16/55/1417441655.db2.gz HNKSHICOVNONQU-JOCHJYFZSA-N 2 2 395.503 3.000 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccc(O)cc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000138917030 1417441664 /nfs/dbraw/zinc/44/16/64/1417441664.db2.gz HNKSHICOVNONQU-JOCHJYFZSA-N 2 2 395.503 3.000 20 0 GGADLP CC[NH+]1CCC(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000139375895 1417457387 /nfs/dbraw/zinc/45/73/87/1417457387.db2.gz OSHPBKYOVQFBRC-OAHLLOKOSA-N 2 2 379.574 3.228 20 0 GGADLP CC[NH+]1CCC(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)CC1 ZINC000139375895 1417457395 /nfs/dbraw/zinc/45/73/95/1417457395.db2.gz OSHPBKYOVQFBRC-OAHLLOKOSA-N 2 2 379.574 3.228 20 0 GGADLP CC[NH+]1CCC(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000139375776 1417457680 /nfs/dbraw/zinc/45/76/80/1417457680.db2.gz OSHPBKYOVQFBRC-HNNXBMFYSA-N 2 2 379.574 3.228 20 0 GGADLP CC[NH+]1CCC(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000139375776 1417457684 /nfs/dbraw/zinc/45/76/84/1417457684.db2.gz OSHPBKYOVQFBRC-HNNXBMFYSA-N 2 2 379.574 3.228 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139814326 1417476188 /nfs/dbraw/zinc/47/61/88/1417476188.db2.gz ATRCQXTYWWDXLM-JFIYKMOQSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139814326 1417476204 /nfs/dbraw/zinc/47/62/04/1417476204.db2.gz ATRCQXTYWWDXLM-JFIYKMOQSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139814326 1417476218 /nfs/dbraw/zinc/47/62/18/1417476218.db2.gz ATRCQXTYWWDXLM-JFIYKMOQSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139814326 1417476229 /nfs/dbraw/zinc/47/62/29/1417476229.db2.gz ATRCQXTYWWDXLM-JFIYKMOQSA-N 2 2 386.565 3.059 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000140631632 1417510232 /nfs/dbraw/zinc/51/02/32/1417510232.db2.gz AOLWFQNQUIYVPY-RTWAWAEBSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000140631632 1417510280 /nfs/dbraw/zinc/51/02/80/1417510280.db2.gz AOLWFQNQUIYVPY-RTWAWAEBSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000140631982 1417510792 /nfs/dbraw/zinc/51/07/92/1417510792.db2.gz AOLWFQNQUIYVPY-NHCUHLMSSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000140631982 1417510797 /nfs/dbraw/zinc/51/07/97/1417510797.db2.gz AOLWFQNQUIYVPY-NHCUHLMSSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000140631810 1417511450 /nfs/dbraw/zinc/51/14/50/1417511450.db2.gz AOLWFQNQUIYVPY-LEWJYISDSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000140631810 1417511469 /nfs/dbraw/zinc/51/14/69/1417511469.db2.gz AOLWFQNQUIYVPY-LEWJYISDSA-N 2 2 395.551 3.049 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000141540825 1417543764 /nfs/dbraw/zinc/54/37/64/1417543764.db2.gz ANMWGMJFEJBEFT-IBGZPJMESA-N 2 2 375.561 3.040 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCC1 ZINC000144133911 1417656956 /nfs/dbraw/zinc/65/69/56/1417656956.db2.gz JRQDUZJLUYYTCO-IFMALSPDSA-N 2 2 381.520 3.251 20 0 GGADLP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000144915959 1417675890 /nfs/dbraw/zinc/67/58/90/1417675890.db2.gz LCTQVMQTTSUUKB-QFIPXVFZSA-N 2 2 380.536 3.066 20 0 GGADLP CN(C(=O)c1cnc2ccccc2n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178875972 1429206674 /nfs/dbraw/zinc/20/66/74/1429206674.db2.gz GGZOLSDRGIUZNO-VXKWHMMOSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1cnc2ccccc2n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178875972 1429206685 /nfs/dbraw/zinc/20/66/85/1429206685.db2.gz GGZOLSDRGIUZNO-VXKWHMMOSA-N 2 2 395.551 3.039 20 0 GGADLP Cc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)[nH+]c2ccccc12 ZINC000149418889 1417775548 /nfs/dbraw/zinc/77/55/48/1417775548.db2.gz XZFDGIAQMUVJTF-UHFFFAOYSA-N 2 2 376.508 3.348 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000151154944 1417883747 /nfs/dbraw/zinc/88/37/47/1417883747.db2.gz DRJKNGNMSRQRCI-SFHVURJKSA-N 2 2 382.552 3.410 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000151154944 1417883748 /nfs/dbraw/zinc/88/37/48/1417883748.db2.gz DRJKNGNMSRQRCI-SFHVURJKSA-N 2 2 382.552 3.410 20 0 GGADLP COc1cc([C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)ccc1S(C)(=O)=O ZINC000151332084 1417928176 /nfs/dbraw/zinc/92/81/76/1417928176.db2.gz CWFBTUCSQFVRKN-INIZCTEOSA-N 2 2 399.516 3.194 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000151511501 1418009495 /nfs/dbraw/zinc/00/94/95/1418009495.db2.gz FQORHZOSWOZJNN-HXUWFJFHSA-N 2 2 395.551 3.049 20 0 GGADLP COc1ccc2cccc(CC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000151599588 1418036167 /nfs/dbraw/zinc/03/61/67/1418036167.db2.gz UJENQRBIIXIECY-UHFFFAOYSA-N 2 2 395.547 3.066 20 0 GGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)ccc1OCCO ZINC000151702240 1418066092 /nfs/dbraw/zinc/06/60/92/1418066092.db2.gz PAWPZQDYCYEPLJ-WFXMLNOXSA-N 2 2 399.535 3.023 20 0 GGADLP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)ccc1OCCO ZINC000151702240 1418066098 /nfs/dbraw/zinc/06/60/98/1418066098.db2.gz PAWPZQDYCYEPLJ-WFXMLNOXSA-N 2 2 399.535 3.023 20 0 GGADLP CCc1ccc([C@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)[NH+](C)C)cc1 ZINC000151703608 1418066583 /nfs/dbraw/zinc/06/65/83/1418066583.db2.gz OWUBIPUVMXGZPI-SFTDATJTSA-N 2 2 382.508 3.110 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000151707995 1418068321 /nfs/dbraw/zinc/06/83/21/1418068321.db2.gz QTGYQTQFCAWQAZ-FGTMMUONSA-N 2 2 387.553 3.374 20 0 GGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC)c(OC)c1 ZINC000151782978 1418085831 /nfs/dbraw/zinc/08/58/31/1418085831.db2.gz ABIYZBFFXLYJJL-NHCUHLMSSA-N 2 2 384.520 3.164 20 0 GGADLP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC)c(OC)c1 ZINC000151782978 1418085834 /nfs/dbraw/zinc/08/58/34/1418085834.db2.gz ABIYZBFFXLYJJL-NHCUHLMSSA-N 2 2 384.520 3.164 20 0 GGADLP CN(C)c1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000151844252 1418099712 /nfs/dbraw/zinc/09/97/12/1418099712.db2.gz ZQBZUNXCQJHTMM-VXKWHMMOSA-N 2 2 386.584 3.162 20 0 GGADLP CN(C)c1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000151844252 1418099717 /nfs/dbraw/zinc/09/97/17/1418099717.db2.gz ZQBZUNXCQJHTMM-VXKWHMMOSA-N 2 2 386.584 3.162 20 0 GGADLP CN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000151844453 1418099748 /nfs/dbraw/zinc/09/97/48/1418099748.db2.gz OWNGRIUAPSHFSO-VXKWHMMOSA-N 2 2 386.584 3.162 20 0 GGADLP CN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000151844453 1418099750 /nfs/dbraw/zinc/09/97/50/1418099750.db2.gz OWNGRIUAPSHFSO-VXKWHMMOSA-N 2 2 386.584 3.162 20 0 GGADLP CC[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000152165766 1418162599 /nfs/dbraw/zinc/16/25/99/1418162599.db2.gz GNVHQZQUTHGFHD-VLCRHTCISA-N 2 2 395.551 3.313 20 0 GGADLP CC[C@H](CNC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)[N@H+]1CCc2ccccc2C1 ZINC000152165766 1418162604 /nfs/dbraw/zinc/16/26/04/1418162604.db2.gz GNVHQZQUTHGFHD-VLCRHTCISA-N 2 2 395.551 3.313 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000152195029 1418170362 /nfs/dbraw/zinc/17/03/62/1418170362.db2.gz OPMOOLUFWGBDKY-GIVPXCGWSA-N 2 2 381.524 3.313 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000152233492 1418180295 /nfs/dbraw/zinc/18/02/95/1418180295.db2.gz LPRBSNKYAVDZPK-QGZVFWFLSA-N 2 2 396.516 3.263 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000152248954 1418183903 /nfs/dbraw/zinc/18/39/03/1418183903.db2.gz FNWKMKQVUDBSQL-XXBNENTESA-N 2 2 376.504 3.251 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000152249125 1418184165 /nfs/dbraw/zinc/18/41/65/1418184165.db2.gz FNWKMKQVUDBSQL-AUSIDOKSSA-N 2 2 376.504 3.251 20 0 GGADLP Cc1ccc2c(c1)[C@H](NC(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)CCC2 ZINC000179329956 1429331273 /nfs/dbraw/zinc/33/12/73/1429331273.db2.gz URAJIMNBXRUOKI-JOCHJYFZSA-N 2 2 384.568 3.230 20 0 GGADLP Cc1cccc(C(C)(C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000179589496 1429456246 /nfs/dbraw/zinc/45/62/46/1429456246.db2.gz KNOIJRFIRHCIDB-UHFFFAOYSA-N 2 2 381.520 3.291 20 0 GGADLP CC(C)Oc1cccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000179668604 1429499271 /nfs/dbraw/zinc/49/92/71/1429499271.db2.gz WFCIKFVYPUGWQE-IBGZPJMESA-N 2 2 396.535 3.258 20 0 GGADLP CC(C)Oc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000179677697 1429502833 /nfs/dbraw/zinc/50/28/33/1429502833.db2.gz PDEXGQISXLGIIB-OALUTQOASA-N 2 2 396.535 3.257 20 0 GGADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000179677685 1429503086 /nfs/dbraw/zinc/50/30/86/1429503086.db2.gz PDEXGQISXLGIIB-MOPGFXCFSA-N 2 2 396.535 3.257 20 0 GGADLP CC(C)Oc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000179677712 1429503265 /nfs/dbraw/zinc/50/32/65/1429503265.db2.gz PDEXGQISXLGIIB-RTBURBONSA-N 2 2 396.535 3.257 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000179678301 1429504146 /nfs/dbraw/zinc/50/41/46/1429504146.db2.gz XBUCXAUELVMEQB-MRXNPFEDSA-N 2 2 397.510 3.362 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2c(F)cccc2F)CC1 ZINC000179678301 1429504149 /nfs/dbraw/zinc/50/41/49/1429504149.db2.gz XBUCXAUELVMEQB-MRXNPFEDSA-N 2 2 397.510 3.362 20 0 GGADLP CCOCc1cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)ccc1OC ZINC000179713256 1429518631 /nfs/dbraw/zinc/51/86/31/1429518631.db2.gz OJIZDAXZPNNUQB-PMACEKPBSA-N 2 2 389.584 3.222 20 0 GGADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@H]1CCn2c[nH+]cc2C1 ZINC000152416585 1422097298 /nfs/dbraw/zinc/09/72/98/1422097298.db2.gz VTKPGALPKIWJQK-QFIPXVFZSA-N 2 2 394.563 3.297 20 0 GGADLP O=C(NCCCC[NH+]1CCC(Cc2ccccc2)CC1)[C@@H]1CCn2c[nH+]cc2C1 ZINC000152416493 1422097506 /nfs/dbraw/zinc/09/75/06/1422097506.db2.gz VTKPGALPKIWJQK-JOCHJYFZSA-N 2 2 394.563 3.297 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+](Cn2c3cc(Cl)ccc3oc2=O)CC1 ZINC000179734000 1429528327 /nfs/dbraw/zinc/52/83/27/1429528327.db2.gz ZNVWGXCBVZUACI-UHFFFAOYSA-N 2 2 395.931 3.276 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+](Cn2c3cc(Cl)ccc3oc2=O)CC1 ZINC000179734000 1429528328 /nfs/dbraw/zinc/52/83/28/1429528328.db2.gz ZNVWGXCBVZUACI-UHFFFAOYSA-N 2 2 395.931 3.276 20 0 GGADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000152741852 1422232783 /nfs/dbraw/zinc/23/27/83/1422232783.db2.gz MYIYJRWMPZPHOE-STZQEDGTSA-N 2 2 393.535 3.428 20 0 GGADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000152741852 1422232787 /nfs/dbraw/zinc/23/27/87/1422232787.db2.gz MYIYJRWMPZPHOE-STZQEDGTSA-N 2 2 393.535 3.428 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152902479 1422289694 /nfs/dbraw/zinc/28/96/94/1422289694.db2.gz BMVGAXNCIABMBV-SFHVURJKSA-N 2 2 395.522 3.353 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2c(F)cccc2C1 ZINC000152902479 1422289703 /nfs/dbraw/zinc/28/97/03/1422289703.db2.gz BMVGAXNCIABMBV-SFHVURJKSA-N 2 2 395.522 3.353 20 0 GGADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000152910541 1422293002 /nfs/dbraw/zinc/29/30/02/1422293002.db2.gz HNPIKLLOBZFYMX-QGZVFWFLSA-N 2 2 380.414 3.164 20 0 GGADLP Cc1[nH+]ccn1CCCC[N@H+]1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000152910541 1422293009 /nfs/dbraw/zinc/29/30/09/1422293009.db2.gz HNPIKLLOBZFYMX-QGZVFWFLSA-N 2 2 380.414 3.164 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)o1 ZINC000153054844 1422341341 /nfs/dbraw/zinc/34/13/41/1422341341.db2.gz PJKUTOPQXATJND-BHIYHBOVSA-N 2 2 385.512 3.214 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000153055936 1422341515 /nfs/dbraw/zinc/34/15/15/1422341515.db2.gz JDLQAWZEYLIEGU-SFTDATJTSA-N 2 2 392.507 3.396 20 0 GGADLP CCC[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000153198992 1422389729 /nfs/dbraw/zinc/38/97/29/1422389729.db2.gz JILLZJKJIUARQG-RTWAWAEBSA-N 2 2 381.524 3.285 20 0 GGADLP CCc1onc(C)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179773537 1429553200 /nfs/dbraw/zinc/55/32/00/1429553200.db2.gz KJHAGNVXONAGSS-QZTJIDSGSA-N 2 2 391.560 3.346 20 0 GGADLP CCc1onc(C)c1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179773537 1429553206 /nfs/dbraw/zinc/55/32/06/1429553206.db2.gz KJHAGNVXONAGSS-QZTJIDSGSA-N 2 2 391.560 3.346 20 0 GGADLP COc1cc(CN2CC[C@H]([NH2+]Cc3ccc(-n4cc[nH+]c4)cc3)C2)cc(OC)c1 ZINC000153379679 1422505454 /nfs/dbraw/zinc/50/54/54/1422505454.db2.gz LXXLNQJKKGGDAZ-FQEVSTJZSA-N 2 2 392.503 3.254 20 0 GGADLP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000153417664 1422523906 /nfs/dbraw/zinc/52/39/06/1422523906.db2.gz GXZLBGZAMCBCLA-UYAOXDASSA-N 2 2 378.520 3.267 20 0 GGADLP COc1ccc(C[NH+](C)[C@H](C)CC[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000153519239 1422582071 /nfs/dbraw/zinc/58/20/71/1422582071.db2.gz NDBUSTPLJIRHFW-MRXNPFEDSA-N 2 2 388.508 3.457 20 0 GGADLP COc1ccc(C[NH+](C)[C@H](C)CC[N@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000153519239 1422582078 /nfs/dbraw/zinc/58/20/78/1422582078.db2.gz NDBUSTPLJIRHFW-MRXNPFEDSA-N 2 2 388.508 3.457 20 0 GGADLP COc1ccc(C[NH+](C)CC[C@@H](C)[N@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000153519239 1422582082 /nfs/dbraw/zinc/58/20/82/1422582082.db2.gz NDBUSTPLJIRHFW-MRXNPFEDSA-N 2 2 388.508 3.457 20 0 GGADLP COc1ccc(C[NH+](C)CC[C@@H](C)[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000153519239 1422582088 /nfs/dbraw/zinc/58/20/88/1422582088.db2.gz NDBUSTPLJIRHFW-MRXNPFEDSA-N 2 2 388.508 3.457 20 0 GGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153545803 1422602508 /nfs/dbraw/zinc/60/25/08/1422602508.db2.gz CZQJEQHEHXSHDP-YLJYHZDGSA-N 2 2 382.508 3.374 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000153626049 1422656690 /nfs/dbraw/zinc/65/66/90/1422656690.db2.gz OCQBUSFJDSNHLG-NRFANRHFSA-N 2 2 382.508 3.286 20 0 GGADLP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000153626132 1422657336 /nfs/dbraw/zinc/65/73/36/1422657336.db2.gz OCQBUSFJDSNHLG-OAQYLSRUSA-N 2 2 382.508 3.286 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153647663 1422675914 /nfs/dbraw/zinc/67/59/14/1422675914.db2.gz TVHOQKXHLQLHRE-RTWAWAEBSA-N 2 2 382.508 3.327 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153647573 1422676069 /nfs/dbraw/zinc/67/60/69/1422676069.db2.gz TVHOQKXHLQLHRE-LEWJYISDSA-N 2 2 382.508 3.327 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000153671204 1422696279 /nfs/dbraw/zinc/69/62/79/1422696279.db2.gz UBMRBNPROAVONL-HOTGVXAUSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000153671204 1422696292 /nfs/dbraw/zinc/69/62/92/1422696292.db2.gz UBMRBNPROAVONL-HOTGVXAUSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)c(OC)c1 ZINC000153687479 1422703578 /nfs/dbraw/zinc/70/35/78/1422703578.db2.gz REAFJZXMCYMHBZ-HZPDHXFCSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)c(OC)c1 ZINC000153687479 1422703585 /nfs/dbraw/zinc/70/35/85/1422703585.db2.gz REAFJZXMCYMHBZ-HZPDHXFCSA-N 2 2 375.513 3.027 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000153714455 1422717499 /nfs/dbraw/zinc/71/74/99/1422717499.db2.gz RUOVYUBIGGFPIA-NRFANRHFSA-N 2 2 382.508 3.286 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153823135 1422780035 /nfs/dbraw/zinc/78/00/35/1422780035.db2.gz XHUMZGBIAFEIEP-CTNGQTDRSA-N 2 2 388.625 3.243 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153823135 1422780053 /nfs/dbraw/zinc/78/00/53/1422780053.db2.gz XHUMZGBIAFEIEP-CTNGQTDRSA-N 2 2 388.625 3.243 20 0 GGADLP CC[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000153835944 1422789935 /nfs/dbraw/zinc/78/99/35/1422789935.db2.gz JGTANTFLKGSKQA-RBBKRZOGSA-N 2 2 394.519 3.081 20 0 GGADLP CC[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000153835944 1422789943 /nfs/dbraw/zinc/78/99/43/1422789943.db2.gz JGTANTFLKGSKQA-RBBKRZOGSA-N 2 2 394.519 3.081 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccsc1 ZINC000153934520 1422813352 /nfs/dbraw/zinc/81/33/52/1422813352.db2.gz JZPMCAIOTLJYMN-MOPGFXCFSA-N 2 2 388.537 3.389 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1ccncc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000153974675 1422819630 /nfs/dbraw/zinc/81/96/30/1422819630.db2.gz UBXXBYFGEAEJCP-NRFANRHFSA-N 2 2 396.560 3.406 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1ccncc1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000153974675 1422819632 /nfs/dbraw/zinc/81/96/32/1422819632.db2.gz UBXXBYFGEAEJCP-NRFANRHFSA-N 2 2 396.560 3.406 20 0 GGADLP CN(C(=O)c1ccc2c(c1)N(C)CC2)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000153980609 1422820230 /nfs/dbraw/zinc/82/02/30/1422820230.db2.gz LRXFJHIJQGCIBQ-VXKWHMMOSA-N 2 2 398.595 3.088 20 0 GGADLP CN(C(=O)c1ccc2c(c1)N(C)CC2)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000153980609 1422820231 /nfs/dbraw/zinc/82/02/31/1422820231.db2.gz LRXFJHIJQGCIBQ-VXKWHMMOSA-N 2 2 398.595 3.088 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)[C@H](C)C1 ZINC000154024523 1422827691 /nfs/dbraw/zinc/82/76/91/1422827691.db2.gz JRBAOBFYKCBHNK-GIVPXCGWSA-N 2 2 377.573 3.452 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)o2)N2CCCC2)[C@H](C)C1 ZINC000154024523 1422827693 /nfs/dbraw/zinc/82/76/93/1422827693.db2.gz JRBAOBFYKCBHNK-GIVPXCGWSA-N 2 2 377.573 3.452 20 0 GGADLP C[C@H]([NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)c1ccc(-n2cc[nH+]c2)cc1 ZINC000154115099 1422842648 /nfs/dbraw/zinc/84/26/48/1422842648.db2.gz KFITXNBDHSZSJF-KWOQKUFVSA-N 2 2 390.531 3.406 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000154242277 1422860817 /nfs/dbraw/zinc/86/08/17/1422860817.db2.gz POWDEXLQQLLEJA-XCBAANBCSA-N 2 2 379.508 3.036 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000154242277 1422860819 /nfs/dbraw/zinc/86/08/19/1422860819.db2.gz POWDEXLQQLLEJA-XCBAANBCSA-N 2 2 379.508 3.036 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000154242064 1422860875 /nfs/dbraw/zinc/86/08/75/1422860875.db2.gz POWDEXLQQLLEJA-YDPGBSGYSA-N 2 2 379.508 3.036 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000154242064 1422860877 /nfs/dbraw/zinc/86/08/77/1422860877.db2.gz POWDEXLQQLLEJA-YDPGBSGYSA-N 2 2 379.508 3.036 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000154413592 1422886001 /nfs/dbraw/zinc/88/60/01/1422886001.db2.gz FDLINAXGUUMYMX-BVYCBKJFSA-N 2 2 395.551 3.389 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C1 ZINC000154413592 1422886003 /nfs/dbraw/zinc/88/60/03/1422886003.db2.gz FDLINAXGUUMYMX-BVYCBKJFSA-N 2 2 395.551 3.389 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154737036 1423016704 /nfs/dbraw/zinc/01/67/04/1423016704.db2.gz ZJBKYDYVEYPEMR-IRLDBZIGSA-N 2 2 388.552 3.073 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154737036 1423016713 /nfs/dbraw/zinc/01/67/13/1423016713.db2.gz ZJBKYDYVEYPEMR-IRLDBZIGSA-N 2 2 388.552 3.073 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000154888149 1423068690 /nfs/dbraw/zinc/06/86/90/1423068690.db2.gz JJXNJUPWKZYRTJ-QGZVFWFLSA-N 2 2 394.581 3.164 20 0 GGADLP COCCNc1nn(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(=S)s1 ZINC000155063052 1423141493 /nfs/dbraw/zinc/14/14/93/1423141493.db2.gz CGTRDHYEOLBSEO-UHFFFAOYSA-N 2 2 399.630 3.278 20 0 GGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(OCC[NH+]3CCOCC3)c1)CC2 ZINC000155159555 1423202878 /nfs/dbraw/zinc/20/28/78/1423202878.db2.gz VOVKSCCSKJMFOC-QHCPKHFHSA-N 2 2 382.504 3.183 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000155202666 1423242284 /nfs/dbraw/zinc/24/22/84/1423242284.db2.gz RYYUMYGTHAXZQK-UHFFFAOYSA-N 2 2 394.475 3.287 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155308760 1423311167 /nfs/dbraw/zinc/31/11/67/1423311167.db2.gz LBLGSEOIYHKGTE-AVRDEDQJSA-N 2 2 378.520 3.209 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155308760 1423311177 /nfs/dbraw/zinc/31/11/77/1423311177.db2.gz LBLGSEOIYHKGTE-AVRDEDQJSA-N 2 2 378.520 3.209 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000155325445 1423317609 /nfs/dbraw/zinc/31/76/09/1423317609.db2.gz ZQFYSWNYDWGDQA-QGZVFWFLSA-N 2 2 375.476 3.223 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1OC(F)F ZINC000155353757 1423330050 /nfs/dbraw/zinc/33/00/50/1423330050.db2.gz NOTHPQFLQJBFKW-XJKSGUPXSA-N 2 2 387.446 3.020 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1OC(F)F ZINC000155353757 1423330062 /nfs/dbraw/zinc/33/00/62/1423330062.db2.gz NOTHPQFLQJBFKW-XJKSGUPXSA-N 2 2 387.446 3.020 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000155364308 1423334785 /nfs/dbraw/zinc/33/47/85/1423334785.db2.gz SZRCYCKBXPEZAI-WMLDXEAASA-N 2 2 387.446 3.179 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000155364308 1423334796 /nfs/dbraw/zinc/33/47/96/1423334796.db2.gz SZRCYCKBXPEZAI-WMLDXEAASA-N 2 2 387.446 3.179 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000179910503 1429635995 /nfs/dbraw/zinc/63/59/95/1429635995.db2.gz FXQGVQYQRZIPQL-QZTJIDSGSA-N 2 2 387.597 3.139 20 0 GGADLP C[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000155622420 1423452654 /nfs/dbraw/zinc/45/26/54/1423452654.db2.gz LRTYKAKSCDZLHG-DDUZABMNSA-N 2 2 399.963 3.025 20 0 GGADLP C[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000155622420 1423452659 /nfs/dbraw/zinc/45/26/59/1423452659.db2.gz LRTYKAKSCDZLHG-DDUZABMNSA-N 2 2 399.963 3.025 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000155881511 1423574626 /nfs/dbraw/zinc/57/46/26/1423574626.db2.gz RBENYZONJVFBEM-NRFANRHFSA-N 2 2 395.551 3.134 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000156080199 1423663569 /nfs/dbraw/zinc/66/35/69/1423663569.db2.gz GHCAAMLTMLPUGB-LJQANCHMSA-N 2 2 382.499 3.083 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000156080199 1423663576 /nfs/dbraw/zinc/66/35/76/1423663576.db2.gz GHCAAMLTMLPUGB-LJQANCHMSA-N 2 2 382.499 3.083 20 0 GGADLP CC[C@H](CSC)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179968027 1429666819 /nfs/dbraw/zinc/66/68/19/1429666819.db2.gz DMJUPAVCWOIKMK-NZSAHSFTSA-N 2 2 384.634 3.107 20 0 GGADLP CC[C@H](CSC)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179968027 1429666823 /nfs/dbraw/zinc/66/68/23/1429666823.db2.gz DMJUPAVCWOIKMK-NZSAHSFTSA-N 2 2 384.634 3.107 20 0 GGADLP O=C(C[NH2+]C1CCN(c2cccc[nH+]2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000156272439 1423752197 /nfs/dbraw/zinc/75/21/97/1423752197.db2.gz PRMVJRGTEHRQEI-UHFFFAOYSA-N 2 2 392.547 3.121 20 0 GGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@@H+]1C ZINC000179973148 1429669527 /nfs/dbraw/zinc/66/95/27/1429669527.db2.gz CAZRHVTXVSSGGS-JCGIZDLHSA-N 2 2 383.458 3.269 20 0 GGADLP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC[N@H+]1C ZINC000179973148 1429669535 /nfs/dbraw/zinc/66/95/35/1429669535.db2.gz CAZRHVTXVSSGGS-JCGIZDLHSA-N 2 2 383.458 3.269 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156445601 1423811304 /nfs/dbraw/zinc/81/13/04/1423811304.db2.gz KBQTVXRZGMYTGS-KEYYUXOJSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156445601 1423811306 /nfs/dbraw/zinc/81/13/06/1423811306.db2.gz KBQTVXRZGMYTGS-KEYYUXOJSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472446 1423814702 /nfs/dbraw/zinc/81/47/02/1423814702.db2.gz WIUZJIXFUBBLRH-YCPHGPKFSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156472446 1423814706 /nfs/dbraw/zinc/81/47/06/1423814706.db2.gz WIUZJIXFUBBLRH-YCPHGPKFSA-N 2 2 378.423 3.395 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156597036 1423833859 /nfs/dbraw/zinc/83/38/59/1423833859.db2.gz XXHDRDTXLRENSB-OAQYLSRUSA-N 2 2 381.524 3.091 20 0 GGADLP CN(C(=O)CSCC(F)(F)F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000156619790 1423836805 /nfs/dbraw/zinc/83/68/05/1423836805.db2.gz HNGUGXVXQFDTQH-HOTGVXAUSA-N 2 2 395.535 3.078 20 0 GGADLP CN(C(=O)CSCC(F)(F)F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000156619790 1423836806 /nfs/dbraw/zinc/83/68/06/1423836806.db2.gz HNGUGXVXQFDTQH-HOTGVXAUSA-N 2 2 395.535 3.078 20 0 GGADLP COc1ccc([C@@H](CNC2CC[NH+](Cc3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000156679250 1423846453 /nfs/dbraw/zinc/84/64/53/1423846453.db2.gz FYOMDEYZBYNBAQ-XMMPIXPASA-N 2 2 394.563 3.481 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)CC1 ZINC000156790762 1423864968 /nfs/dbraw/zinc/86/49/68/1423864968.db2.gz JMJSBIJKMNMGBY-AZUAARDMSA-N 2 2 383.540 3.126 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)CC1 ZINC000156790762 1423864974 /nfs/dbraw/zinc/86/49/74/1423864974.db2.gz JMJSBIJKMNMGBY-AZUAARDMSA-N 2 2 383.540 3.126 20 0 GGADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000156792288 1423865620 /nfs/dbraw/zinc/86/56/20/1423865620.db2.gz ZNZLCJKMPRKGON-WOZUAGRISA-N 2 2 391.600 3.033 20 0 GGADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000156792288 1423865624 /nfs/dbraw/zinc/86/56/24/1423865624.db2.gz ZNZLCJKMPRKGON-WOZUAGRISA-N 2 2 391.600 3.033 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3ccccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000157001992 1423899986 /nfs/dbraw/zinc/89/99/86/1423899986.db2.gz SJUAIPNRIVVTGS-RXVVDRJESA-N 2 2 376.504 3.179 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)Cc2cc(=O)n3ccccc3n2)CC[N@H+]1Cc1ccccc1 ZINC000157001992 1423899989 /nfs/dbraw/zinc/89/99/89/1423899989.db2.gz SJUAIPNRIVVTGS-RXVVDRJESA-N 2 2 376.504 3.179 20 0 GGADLP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(=O)n3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000157001992 1423899992 /nfs/dbraw/zinc/89/99/92/1423899992.db2.gz SJUAIPNRIVVTGS-RXVVDRJESA-N 2 2 376.504 3.179 20 0 GGADLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(=O)n3ccccc3n2)CC[NH+]1Cc1ccccc1 ZINC000157001992 1423899995 /nfs/dbraw/zinc/89/99/95/1423899995.db2.gz SJUAIPNRIVVTGS-RXVVDRJESA-N 2 2 376.504 3.179 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000157049498 1423910941 /nfs/dbraw/zinc/91/09/41/1423910941.db2.gz DYKSUZJAXMKSMK-AZUAARDMSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000157049498 1423910945 /nfs/dbraw/zinc/91/09/45/1423910945.db2.gz DYKSUZJAXMKSMK-AZUAARDMSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@H]1C[C@H]([N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000157049498 1423910951 /nfs/dbraw/zinc/91/09/51/1423910951.db2.gz DYKSUZJAXMKSMK-AZUAARDMSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@H]1C[C@H]([N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000157049498 1423910962 /nfs/dbraw/zinc/91/09/62/1423910962.db2.gz DYKSUZJAXMKSMK-AZUAARDMSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000157049348 1423911096 /nfs/dbraw/zinc/91/10/96/1423911096.db2.gz DYKSUZJAXMKSMK-UYAOXDASSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000157049348 1423911102 /nfs/dbraw/zinc/91/11/02/1423911102.db2.gz DYKSUZJAXMKSMK-UYAOXDASSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@@H]1C[C@H]([N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000157049348 1423911112 /nfs/dbraw/zinc/91/11/12/1423911112.db2.gz DYKSUZJAXMKSMK-UYAOXDASSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@@H]1C[C@H]([N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000157049348 1423911117 /nfs/dbraw/zinc/91/11/17/1423911117.db2.gz DYKSUZJAXMKSMK-UYAOXDASSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000157049630 1423911147 /nfs/dbraw/zinc/91/11/47/1423911147.db2.gz DYKSUZJAXMKSMK-QUCCMNQESA-N 2 2 391.515 3.268 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000157049630 1423911150 /nfs/dbraw/zinc/91/11/50/1423911150.db2.gz DYKSUZJAXMKSMK-QUCCMNQESA-N 2 2 391.515 3.268 20 0 GGADLP C[C@@H]1C[C@@H]([N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000157049630 1423911155 /nfs/dbraw/zinc/91/11/55/1423911155.db2.gz DYKSUZJAXMKSMK-QUCCMNQESA-N 2 2 391.515 3.268 20 0 GGADLP C[C@@H]1C[C@@H]([N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000157049630 1423911158 /nfs/dbraw/zinc/91/11/58/1423911158.db2.gz DYKSUZJAXMKSMK-QUCCMNQESA-N 2 2 391.515 3.268 20 0 GGADLP Cc1ccc(OCCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000157136173 1423934430 /nfs/dbraw/zinc/93/44/30/1423934430.db2.gz AWVQIOWLUGUMMW-UHFFFAOYSA-N 2 2 387.568 3.137 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccnc1-c1ccccc1 ZINC000157185068 1423948682 /nfs/dbraw/zinc/94/86/82/1423948682.db2.gz BOLZXMOJBYEDDD-UHFFFAOYSA-N 2 2 381.524 3.238 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccnc1-c1ccccc1 ZINC000157185068 1423948687 /nfs/dbraw/zinc/94/86/87/1423948687.db2.gz BOLZXMOJBYEDDD-UHFFFAOYSA-N 2 2 381.524 3.238 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1nc2ccc(Cl)cc2n1C ZINC000180004382 1429686392 /nfs/dbraw/zinc/68/63/92/1429686392.db2.gz CYIMGFBEEHTVRR-OAHLLOKOSA-N 2 2 398.942 3.224 20 0 GGADLP CC(C)n1ncc2cc(C[NH+]3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)cnc21 ZINC000157612722 1424049327 /nfs/dbraw/zinc/04/93/27/1424049327.db2.gz AVTSWJQZIWFVAY-KDURUIRLSA-N 2 2 384.572 3.003 20 0 GGADLP CC(C)n1ncc2cc(C[NH+]3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)cnc21 ZINC000157612722 1424049334 /nfs/dbraw/zinc/04/93/34/1424049334.db2.gz AVTSWJQZIWFVAY-KDURUIRLSA-N 2 2 384.572 3.003 20 0 GGADLP Cc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000157780113 1424086494 /nfs/dbraw/zinc/08/64/94/1424086494.db2.gz YNVAHXZYBHNHHW-FGZHOGPDSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1ccccc1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157780113 1424086499 /nfs/dbraw/zinc/08/64/99/1424086499.db2.gz YNVAHXZYBHNHHW-FGZHOGPDSA-N 2 2 386.584 3.474 20 0 GGADLP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1nc2ccc(Cl)cc2n1C ZINC000180022012 1429698494 /nfs/dbraw/zinc/69/84/94/1429698494.db2.gz IYKVWUUCOUZHMN-HNNXBMFYSA-N 2 2 398.942 3.224 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000157912118 1424118432 /nfs/dbraw/zinc/11/84/32/1424118432.db2.gz ISTSSBKUOIJKJC-UHFFFAOYSA-N 2 2 399.882 3.158 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000158042333 1424145998 /nfs/dbraw/zinc/14/59/98/1424145998.db2.gz PCSLAPXVJYIUJB-UHFFFAOYSA-N 2 2 387.553 3.300 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000158042333 1424146012 /nfs/dbraw/zinc/14/60/12/1424146012.db2.gz PCSLAPXVJYIUJB-UHFFFAOYSA-N 2 2 387.553 3.300 20 0 GGADLP CC(C)COCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158157431 1424181371 /nfs/dbraw/zinc/18/13/71/1424181371.db2.gz DZZCISXELCAQSS-RTWAWAEBSA-N 2 2 396.620 3.028 20 0 GGADLP CC(C)COCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158157431 1424181379 /nfs/dbraw/zinc/18/13/79/1424181379.db2.gz DZZCISXELCAQSS-RTWAWAEBSA-N 2 2 396.620 3.028 20 0 GGADLP CC(C)COCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158157153 1424181500 /nfs/dbraw/zinc/18/15/00/1424181500.db2.gz DZZCISXELCAQSS-SFTDATJTSA-N 2 2 396.620 3.028 20 0 GGADLP CC(C)COCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158157153 1424181505 /nfs/dbraw/zinc/18/15/05/1424181505.db2.gz DZZCISXELCAQSS-SFTDATJTSA-N 2 2 396.620 3.028 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000158403139 1424245883 /nfs/dbraw/zinc/24/58/83/1424245883.db2.gz YSAPBBBQGPMWLU-INIZCTEOSA-N 2 2 394.475 3.396 20 0 GGADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000158471557 1424267046 /nfs/dbraw/zinc/26/70/46/1424267046.db2.gz AWCHGCNUIRMHCT-OAHLLOKOSA-N 2 2 376.451 3.286 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158484886 1424269760 /nfs/dbraw/zinc/26/97/60/1424269760.db2.gz KZOJJQPKIIWQQR-GOSISDBHSA-N 3 2 390.535 3.178 20 0 GGADLP Cc1nccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000158484886 1424269766 /nfs/dbraw/zinc/26/97/66/1424269766.db2.gz KZOJJQPKIIWQQR-GOSISDBHSA-N 2 2 390.535 3.178 20 0 GGADLP CN(C(=O)NCc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158569933 1424292773 /nfs/dbraw/zinc/29/27/73/1424292773.db2.gz NCDFRSAGUNMETP-SFTDATJTSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1cccc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158569933 1424292783 /nfs/dbraw/zinc/29/27/83/1424292783.db2.gz NCDFRSAGUNMETP-SFTDATJTSA-N 2 2 390.547 3.304 20 0 GGADLP C[C@H]([NH2+]C[C@H]1CN(Cc2ccccc2)CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158713298 1424325215 /nfs/dbraw/zinc/32/52/15/1424325215.db2.gz BGBNNUFMWKICSM-CVDCTZTESA-N 2 2 376.504 3.424 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000158859678 1424358742 /nfs/dbraw/zinc/35/87/42/1424358742.db2.gz SOOVVZQSDYSEDI-KRWDZBQOSA-N 2 2 397.585 3.006 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)o2)CC1 ZINC000158859678 1424358748 /nfs/dbraw/zinc/35/87/48/1424358748.db2.gz SOOVVZQSDYSEDI-KRWDZBQOSA-N 2 2 397.585 3.006 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000158938106 1424377108 /nfs/dbraw/zinc/37/71/08/1424377108.db2.gz DHQPMBLADWGUHQ-LJQANCHMSA-N 2 2 378.582 3.437 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000158938106 1424377114 /nfs/dbraw/zinc/37/71/14/1424377114.db2.gz DHQPMBLADWGUHQ-LJQANCHMSA-N 2 2 378.582 3.437 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2csc(CC(=O)N(C)C)n2)CC1 ZINC000158956251 1424381686 /nfs/dbraw/zinc/38/16/86/1424381686.db2.gz FSLLUCVRYQTRBY-QGZVFWFLSA-N 2 2 392.613 3.250 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2csc(CC(=O)N(C)C)n2)CC1 ZINC000158956251 1424381692 /nfs/dbraw/zinc/38/16/92/1424381692.db2.gz FSLLUCVRYQTRBY-QGZVFWFLSA-N 2 2 392.613 3.250 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000159015268 1424396119 /nfs/dbraw/zinc/39/61/19/1424396119.db2.gz WXYVQCHMRKBPIY-QGZVFWFLSA-N 2 2 385.512 3.139 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000159015409 1424396335 /nfs/dbraw/zinc/39/63/35/1424396335.db2.gz WXYVQCHMRKBPIY-KRWDZBQOSA-N 2 2 385.512 3.139 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(Cl)cccc3N3CCCC3)C2)CC1 ZINC000180069083 1429723420 /nfs/dbraw/zinc/72/34/20/1429723420.db2.gz CZTPWTYUNZUSFW-GOSISDBHSA-N 2 2 376.976 3.152 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)cccc3N3CCCC3)C2)CC1 ZINC000180069083 1429723425 /nfs/dbraw/zinc/72/34/25/1429723425.db2.gz CZTPWTYUNZUSFW-GOSISDBHSA-N 2 2 376.976 3.152 20 0 GGADLP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)CC1 ZINC000159076577 1424412146 /nfs/dbraw/zinc/41/21/46/1424412146.db2.gz BIBTUXOIWUJOON-KRWDZBQOSA-N 2 2 395.975 3.328 20 0 GGADLP C[N@H+](CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)Cc1ccccc1 ZINC000159155479 1424429821 /nfs/dbraw/zinc/42/98/21/1424429821.db2.gz DZYFCVZYVRKHCP-UHFFFAOYSA-N 2 2 393.491 3.216 20 0 GGADLP C[N@@H+](CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)Cc1ccccc1 ZINC000159155479 1424429833 /nfs/dbraw/zinc/42/98/33/1424429833.db2.gz DZYFCVZYVRKHCP-UHFFFAOYSA-N 2 2 393.491 3.216 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159167939 1424432940 /nfs/dbraw/zinc/43/29/40/1424432940.db2.gz AFISDMYFTASBJG-GOSISDBHSA-N 3 2 390.535 3.178 20 0 GGADLP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cnc(Cl)s2)CC1 ZINC000159335365 1424488965 /nfs/dbraw/zinc/48/89/65/1424488965.db2.gz CZNRDXPKXYUFGH-UHFFFAOYSA-N 2 2 384.977 3.001 20 0 GGADLP Fc1ccc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1Cl ZINC000161005556 1424651324 /nfs/dbraw/zinc/65/13/24/1424651324.db2.gz QEJLFAPCXWVTII-UHFFFAOYSA-N 2 2 378.875 3.480 20 0 GGADLP CSCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000161383573 1424684798 /nfs/dbraw/zinc/68/47/98/1424684798.db2.gz SMTKVTMWUZSXQC-WDSOQIARSA-N 2 2 384.634 3.107 20 0 GGADLP CSCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000161383573 1424684815 /nfs/dbraw/zinc/68/48/15/1424684815.db2.gz SMTKVTMWUZSXQC-WDSOQIARSA-N 2 2 384.634 3.107 20 0 GGADLP CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000161993822 1424806817 /nfs/dbraw/zinc/80/68/17/1424806817.db2.gz AFRLYSDFXCQEDY-IBGZPJMESA-N 2 2 382.499 3.083 20 0 GGADLP CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000161993822 1424806820 /nfs/dbraw/zinc/80/68/20/1424806820.db2.gz AFRLYSDFXCQEDY-IBGZPJMESA-N 2 2 382.499 3.083 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000161993945 1424806848 /nfs/dbraw/zinc/80/68/48/1424806848.db2.gz AFRLYSDFXCQEDY-LJQANCHMSA-N 2 2 382.499 3.083 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000161993945 1424806852 /nfs/dbraw/zinc/80/68/52/1424806852.db2.gz AFRLYSDFXCQEDY-LJQANCHMSA-N 2 2 382.499 3.083 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000162005249 1424807882 /nfs/dbraw/zinc/80/78/82/1424807882.db2.gz XBRHOLUWVIWZDV-SFHVURJKSA-N 2 2 397.519 3.207 20 0 GGADLP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CC2 ZINC000162019883 1424808969 /nfs/dbraw/zinc/80/89/69/1424808969.db2.gz LWKSNEKQCMSQJT-QFIPXVFZSA-N 2 2 382.504 3.183 20 0 GGADLP c1ccc(N2CCC([NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)CC2)cc1 ZINC000162031810 1424810327 /nfs/dbraw/zinc/81/03/27/1424810327.db2.gz AWGQHJULRUFZOB-UHFFFAOYSA-N 2 2 395.547 3.156 20 0 GGADLP CC(C)Cc1ncc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000162269770 1424833042 /nfs/dbraw/zinc/83/30/42/1424833042.db2.gz VLMNZONMCXXLJL-UHFFFAOYSA-N 2 2 389.565 3.342 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000162445513 1424853107 /nfs/dbraw/zinc/85/31/07/1424853107.db2.gz IQPJSZDZOJHAKS-UHFFFAOYSA-N 2 2 397.523 3.000 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c1 ZINC000162445513 1424853111 /nfs/dbraw/zinc/85/31/11/1424853111.db2.gz IQPJSZDZOJHAKS-UHFFFAOYSA-N 2 2 397.523 3.000 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162475721 1424856930 /nfs/dbraw/zinc/85/69/30/1424856930.db2.gz VFMMVRLFCLWJCC-KNQAVFIVSA-N 2 2 379.552 3.467 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162475721 1424856932 /nfs/dbraw/zinc/85/69/32/1424856932.db2.gz VFMMVRLFCLWJCC-KNQAVFIVSA-N 2 2 379.552 3.467 20 0 GGADLP Cc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)c(N(C)C)[nH+]1 ZINC000162561339 1424866042 /nfs/dbraw/zinc/86/60/42/1424866042.db2.gz GGELTGVSHQSUKE-INIZCTEOSA-N 2 2 382.512 3.198 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162591970 1424869729 /nfs/dbraw/zinc/86/97/29/1424869729.db2.gz UNWZMWDXGBZRLZ-CVDCTZTESA-N 3 2 382.552 3.022 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000162591970 1424869736 /nfs/dbraw/zinc/86/97/36/1424869736.db2.gz UNWZMWDXGBZRLZ-CVDCTZTESA-N 3 2 382.552 3.022 20 0 GGADLP Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)c(N(C)C)[nH+]1 ZINC000162647024 1424874917 /nfs/dbraw/zinc/87/49/17/1424874917.db2.gz BOWXMIPUHQOLKY-UHFFFAOYSA-N 2 2 391.466 3.330 20 0 GGADLP CN(C(=O)NCC1(C2CC2)CC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162662169 1424876833 /nfs/dbraw/zinc/87/68/33/1424876833.db2.gz CGRWZZIVMGKMSK-UXHICEINSA-N 2 2 376.589 3.155 20 0 GGADLP CN(C(=O)NCC1(C2CC2)CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162662169 1424876834 /nfs/dbraw/zinc/87/68/34/1424876834.db2.gz CGRWZZIVMGKMSK-UXHICEINSA-N 2 2 376.589 3.155 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c(OC)c1 ZINC000162839845 1424895673 /nfs/dbraw/zinc/89/56/73/1424895673.db2.gz QAFSQCRHKGENCT-MRXNPFEDSA-N 2 2 386.496 3.298 20 0 GGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn2)n1 ZINC000162839862 1424895813 /nfs/dbraw/zinc/89/58/13/1424895813.db2.gz FMYJBJBKLYDLLY-HTAPYJJXSA-N 2 2 390.535 3.279 20 0 GGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn2)n1 ZINC000162839862 1424895814 /nfs/dbraw/zinc/89/58/14/1424895814.db2.gz FMYJBJBKLYDLLY-HTAPYJJXSA-N 2 2 390.535 3.279 20 0 GGADLP COc1cc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)ccc1S(C)(=O)=O ZINC000162872506 1424898282 /nfs/dbraw/zinc/89/82/82/1424898282.db2.gz NDMQWZZXMGKOCQ-OAHLLOKOSA-N 2 2 377.510 3.037 20 0 GGADLP COc1cc([C@H](C)[NH2+]CCCCNc2cccc[nH+]2)ccc1S(C)(=O)=O ZINC000162872411 1424898397 /nfs/dbraw/zinc/89/83/97/1424898397.db2.gz NDMQWZZXMGKOCQ-HNNXBMFYSA-N 2 2 377.510 3.037 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000162947197 1424910941 /nfs/dbraw/zinc/91/09/41/1424910941.db2.gz PGAPOVRJDDFOGZ-NZSAHSFTSA-N 2 2 388.474 3.163 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)[C@H](C)C1 ZINC000162947197 1424910948 /nfs/dbraw/zinc/91/09/48/1424910948.db2.gz PGAPOVRJDDFOGZ-NZSAHSFTSA-N 2 2 388.474 3.163 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000162978070 1424916402 /nfs/dbraw/zinc/91/64/02/1424916402.db2.gz ALQUYJYZNDKIHT-LSTHTHJFSA-N 2 2 393.453 3.332 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000162978070 1424916407 /nfs/dbraw/zinc/91/64/07/1424916407.db2.gz ALQUYJYZNDKIHT-LSTHTHJFSA-N 2 2 393.453 3.332 20 0 GGADLP C[C@H]([NH2+]CC1([NH+]2CCSCC2)CCCCC1)c1ccc(-n2cnnn2)cc1 ZINC000163037201 1424927520 /nfs/dbraw/zinc/92/75/20/1424927520.db2.gz KLYJWBRJFYSDAQ-KRWDZBQOSA-N 2 2 386.569 3.065 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000163334757 1424981325 /nfs/dbraw/zinc/98/13/25/1424981325.db2.gz FTNFXQNOBVMDNQ-HXUWFJFHSA-N 2 2 381.524 3.002 20 0 GGADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000163576144 1425020338 /nfs/dbraw/zinc/02/03/38/1425020338.db2.gz VMJHGUNYDQYOND-PXNSSMCTSA-N 2 2 387.549 3.346 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccsc1 ZINC000163667503 1425031581 /nfs/dbraw/zinc/03/15/81/1425031581.db2.gz NNNKZRCPVXQLOD-QZTJIDSGSA-N 2 2 387.553 3.104 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163685336 1425033480 /nfs/dbraw/zinc/03/34/80/1425033480.db2.gz GODBUPQAMZXAOV-FQEVSTJZSA-N 3 2 397.563 3.310 20 0 GGADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000164019584 1425068434 /nfs/dbraw/zinc/06/84/34/1425068434.db2.gz XHSOSWCGORJGNE-NRFANRHFSA-N 2 2 383.923 3.089 20 0 GGADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000164019584 1425068441 /nfs/dbraw/zinc/06/84/41/1425068441.db2.gz XHSOSWCGORJGNE-NRFANRHFSA-N 2 2 383.923 3.089 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)[NH+]1CCCCC1 ZINC000164875865 1425147787 /nfs/dbraw/zinc/14/77/87/1425147787.db2.gz RWRZMACMQXPAFQ-GMAHTHKFSA-N 2 2 393.531 3.225 20 0 GGADLP O=C(NCc1ccco1)c1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000165016238 1425156645 /nfs/dbraw/zinc/15/66/45/1425156645.db2.gz SBXJNBWJVQUETK-UHFFFAOYSA-N 2 2 390.487 3.363 20 0 GGADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165541221 1425184983 /nfs/dbraw/zinc/18/49/83/1425184983.db2.gz YOCFKRKGMNMSGJ-SFTDATJTSA-N 2 2 388.556 3.496 20 0 GGADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165541221 1425184989 /nfs/dbraw/zinc/18/49/89/1425184989.db2.gz YOCFKRKGMNMSGJ-SFTDATJTSA-N 2 2 388.556 3.496 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000165584156 1425186238 /nfs/dbraw/zinc/18/62/38/1425186238.db2.gz RFHVONVLHNGTCS-APWZRJJASA-N 3 2 398.517 3.277 20 0 GGADLP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000165584156 1425186240 /nfs/dbraw/zinc/18/62/40/1425186240.db2.gz RFHVONVLHNGTCS-APWZRJJASA-N 3 2 398.517 3.277 20 0 GGADLP CCC[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000165576082 1425186682 /nfs/dbraw/zinc/18/66/82/1425186682.db2.gz BZGNZJVLHDSNJL-UHFFFAOYSA-N 3 2 398.517 3.421 20 0 GGADLP CC(C)[NH+]1CCC([NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)CC1 ZINC000165599251 1425187320 /nfs/dbraw/zinc/18/73/20/1425187320.db2.gz LLGDEAMMKGRUKQ-UHFFFAOYSA-N 3 2 398.517 3.420 20 0 GGADLP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)ccc1OCC(=O)Nc1ccccc1 ZINC000166411446 1425212565 /nfs/dbraw/zinc/21/25/65/1425212565.db2.gz SLGQSIQNDMDXHK-HXUWFJFHSA-N 2 2 397.519 3.287 20 0 GGADLP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+]2C)ccc1OCC(=O)Nc1ccccc1 ZINC000166411446 1425212576 /nfs/dbraw/zinc/21/25/76/1425212576.db2.gz SLGQSIQNDMDXHK-HXUWFJFHSA-N 2 2 397.519 3.287 20 0 GGADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166701386 1425216477 /nfs/dbraw/zinc/21/64/77/1425216477.db2.gz MBNOYFHCUBBFNP-RTBURBONSA-N 3 2 396.501 3.174 20 0 GGADLP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166701386 1425216485 /nfs/dbraw/zinc/21/64/85/1425216485.db2.gz MBNOYFHCUBBFNP-RTBURBONSA-N 3 2 396.501 3.174 20 0 GGADLP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000167655360 1425229353 /nfs/dbraw/zinc/22/93/53/1425229353.db2.gz QYAZIWDPUQSNRO-SIKLNZKXSA-N 2 2 383.536 3.415 20 0 GGADLP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000167655360 1425229358 /nfs/dbraw/zinc/22/93/58/1425229358.db2.gz QYAZIWDPUQSNRO-SIKLNZKXSA-N 2 2 383.536 3.415 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCN(c4ncccc4F)C3)CC2)cc1 ZINC000168189164 1425236098 /nfs/dbraw/zinc/23/60/98/1425236098.db2.gz XGIGZEZJFOATKF-GOSISDBHSA-N 2 2 383.515 3.124 20 0 GGADLP OCC[NH+]1CCN(CCCC[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000168941348 1425240773 /nfs/dbraw/zinc/24/07/73/1425240773.db2.gz PLAMSBUVNTXPQA-IBGZPJMESA-N 2 2 398.016 3.247 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000169246453 1425244544 /nfs/dbraw/zinc/24/45/44/1425244544.db2.gz ZYXBLYGHKVLMDV-GCJKJVERSA-N 2 2 380.536 3.483 20 0 GGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170780180 1425340093 /nfs/dbraw/zinc/34/00/93/1425340093.db2.gz WYHVSCGKCHXZED-CALCHBBNSA-N 2 2 393.959 3.408 20 0 GGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000170780180 1425340100 /nfs/dbraw/zinc/34/01/00/1425340100.db2.gz WYHVSCGKCHXZED-CALCHBBNSA-N 2 2 393.959 3.408 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCCCCCc3ccccc3)CC2)CC1 ZINC000170805410 1425349191 /nfs/dbraw/zinc/34/91/91/1425349191.db2.gz ZXAWJRMMPYVNDG-UHFFFAOYSA-N 2 2 386.584 3.257 20 0 GGADLP C[C@@H](NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000170887692 1425381957 /nfs/dbraw/zinc/38/19/57/1425381957.db2.gz RSAYJDZDFRWSPU-UXHICEINSA-N 2 2 395.547 3.158 20 0 GGADLP C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H](C)[NH+]1CCOCC1 ZINC000170887692 1425381965 /nfs/dbraw/zinc/38/19/65/1425381965.db2.gz RSAYJDZDFRWSPU-UXHICEINSA-N 2 2 395.547 3.158 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCC3CC[NH+](C)CC3)c2C1 ZINC000171211688 1425542524 /nfs/dbraw/zinc/54/25/24/1425542524.db2.gz RSKQDRDPTUYDNK-UHFFFAOYSA-N 2 2 380.536 3.075 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCC3CC[NH+](C)CC3)c2C1 ZINC000171211688 1425542528 /nfs/dbraw/zinc/54/25/28/1425542528.db2.gz RSKQDRDPTUYDNK-UHFFFAOYSA-N 2 2 380.536 3.075 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)CCc3ccccc3)CC2)CC1 ZINC000171323058 1425616495 /nfs/dbraw/zinc/61/64/95/1425616495.db2.gz FQRMLSWBJYSQSP-UHFFFAOYSA-N 2 2 386.584 3.256 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000171681404 1425787526 /nfs/dbraw/zinc/78/75/26/1425787526.db2.gz FXZWLVDLBZGAHJ-NRFANRHFSA-N 2 2 381.524 3.091 20 0 GGADLP Cc1ccccc1C1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000171729072 1425805252 /nfs/dbraw/zinc/80/52/52/1425805252.db2.gz PHHSIDCKESUCHZ-UHFFFAOYSA-N 2 2 398.595 3.443 20 0 GGADLP CC(C)n1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000171841798 1425833246 /nfs/dbraw/zinc/83/32/46/1425833246.db2.gz UNPNTSHTHUUSBN-UHFFFAOYSA-N 2 2 375.948 3.419 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000171916399 1425851813 /nfs/dbraw/zinc/85/18/13/1425851813.db2.gz MYYPJJBRWVHMPV-HXUWFJFHSA-N 2 2 392.547 3.339 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000171916399 1425851814 /nfs/dbraw/zinc/85/18/14/1425851814.db2.gz MYYPJJBRWVHMPV-HXUWFJFHSA-N 2 2 392.547 3.339 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@@H](C)c3cccc(O)c3)CC2)cc1 ZINC000171939438 1425857534 /nfs/dbraw/zinc/85/75/34/1425857534.db2.gz TUCNYXJDNRUXBM-FQEVSTJZSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)c3cccc(O)c3)CC2)cc1 ZINC000171939438 1425857538 /nfs/dbraw/zinc/85/75/38/1425857538.db2.gz TUCNYXJDNRUXBM-FQEVSTJZSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3cccc(O)c3)CC2)cc1 ZINC000171939438 1425857539 /nfs/dbraw/zinc/85/75/39/1425857539.db2.gz TUCNYXJDNRUXBM-FQEVSTJZSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)c3cccc(O)c3)CC2)cc1 ZINC000171939438 1425857540 /nfs/dbraw/zinc/85/75/40/1425857540.db2.gz TUCNYXJDNRUXBM-FQEVSTJZSA-N 2 2 395.547 3.428 20 0 GGADLP Cc1[nH+]cn(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000171993291 1425869258 /nfs/dbraw/zinc/86/92/58/1425869258.db2.gz QBCVUOMHEPFUOV-UHFFFAOYSA-N 2 2 388.515 3.434 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172051162 1425882836 /nfs/dbraw/zinc/88/28/36/1425882836.db2.gz HAQIFPASJMCSBR-KDURUIRLSA-N 2 2 398.551 3.322 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000172051162 1425882839 /nfs/dbraw/zinc/88/28/39/1425882839.db2.gz HAQIFPASJMCSBR-KDURUIRLSA-N 2 2 398.551 3.322 20 0 GGADLP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000172051168 1425882844 /nfs/dbraw/zinc/88/28/44/1425882844.db2.gz HAQIFPASJMCSBR-OALUTQOASA-N 2 2 398.551 3.322 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H](C(=O)N(C)C)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000172080888 1425891697 /nfs/dbraw/zinc/89/16/97/1425891697.db2.gz LQGLQRABNQMVBB-PWHSHALESA-N 2 2 395.547 3.215 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172546739 1426081492 /nfs/dbraw/zinc/08/14/92/1426081492.db2.gz OKENUODTYQHOKU-UHFFFAOYSA-N 2 2 381.524 3.091 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172546739 1426081496 /nfs/dbraw/zinc/08/14/96/1426081496.db2.gz OKENUODTYQHOKU-UHFFFAOYSA-N 2 2 381.524 3.091 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000172620747 1426116508 /nfs/dbraw/zinc/11/65/08/1426116508.db2.gz OFIUPUVXUMKIKR-SFHVURJKSA-N 2 2 381.520 3.276 20 0 GGADLP O=C(C[N@@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172852118 1426220463 /nfs/dbraw/zinc/22/04/63/1426220463.db2.gz PUAFGNLVVXIGQS-JOCHJYFZSA-N 2 2 393.531 3.022 20 0 GGADLP O=C(C[N@H+]1CC[C@H](Cc2ccccc2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172852118 1426220468 /nfs/dbraw/zinc/22/04/68/1426220468.db2.gz PUAFGNLVVXIGQS-JOCHJYFZSA-N 2 2 393.531 3.022 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000173136680 1426359097 /nfs/dbraw/zinc/35/90/97/1426359097.db2.gz FEPLUCZJDDNROR-KRWDZBQOSA-N 2 2 385.512 3.187 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000173136669 1426359179 /nfs/dbraw/zinc/35/91/79/1426359179.db2.gz FEPLUCZJDDNROR-QGZVFWFLSA-N 2 2 385.512 3.187 20 0 GGADLP C[C@H](CC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)Cc1cccc(F)c1 ZINC000173337315 1426518159 /nfs/dbraw/zinc/51/81/59/1426518159.db2.gz OVVCTIXXSYSYTR-IBGZPJMESA-N 2 2 389.559 3.461 20 0 GGADLP Cc1nc(-c2cccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)cs1 ZINC000173402391 1426585029 /nfs/dbraw/zinc/58/50/29/1426585029.db2.gz ZOWRVNDYMRLLTP-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1nc(-c2cccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)cs1 ZINC000173402391 1426585048 /nfs/dbraw/zinc/58/50/48/1426585048.db2.gz ZOWRVNDYMRLLTP-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1sc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1C ZINC000173623391 1426801429 /nfs/dbraw/zinc/80/14/29/1426801429.db2.gz JWQVSDFYAUOJIR-HUUCEWRRSA-N 2 2 393.597 3.433 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000173663116 1426813397 /nfs/dbraw/zinc/81/33/97/1426813397.db2.gz WZSFMJFWQYGSFG-UHFFFAOYSA-N 2 2 386.462 3.281 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000173663116 1426813398 /nfs/dbraw/zinc/81/33/98/1426813398.db2.gz WZSFMJFWQYGSFG-UHFFFAOYSA-N 2 2 386.462 3.281 20 0 GGADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC000173735631 1426835028 /nfs/dbraw/zinc/83/50/28/1426835028.db2.gz LEWBUNKSLXBNFU-UHFFFAOYSA-N 2 2 376.545 3.272 20 0 GGADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1OC(C)C ZINC000173735631 1426835031 /nfs/dbraw/zinc/83/50/31/1426835031.db2.gz LEWBUNKSLXBNFU-UHFFFAOYSA-N 2 2 376.545 3.272 20 0 GGADLP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173769103 1426845187 /nfs/dbraw/zinc/84/51/87/1426845187.db2.gz TXWYJYDVAYNZCF-QAPCUYQASA-N 2 2 383.458 3.040 20 0 GGADLP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C(F)(F)F)CC1 ZINC000173769103 1426845188 /nfs/dbraw/zinc/84/51/88/1426845188.db2.gz TXWYJYDVAYNZCF-QAPCUYQASA-N 2 2 383.458 3.040 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCOC3(CCCCC3)C2)CC1 ZINC000173846920 1426869030 /nfs/dbraw/zinc/86/90/30/1426869030.db2.gz LITIOJIXVSLIJH-UHFFFAOYSA-N 2 2 399.579 3.111 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCOC3(CCCCC3)C2)CC1 ZINC000173846920 1426869032 /nfs/dbraw/zinc/86/90/32/1426869032.db2.gz LITIOJIXVSLIJH-UHFFFAOYSA-N 2 2 399.579 3.111 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2cccc(C[NH+]3CC[C@H](C[N@@H+](C)CC)C3)c2)C1 ZINC000173885555 1426881076 /nfs/dbraw/zinc/88/10/76/1426881076.db2.gz SKSNMMVLKXFKHT-DNQXCXABSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2cccc(C[NH+]3CC[C@H](C[N@H+](C)CC)C3)c2)C1 ZINC000173885555 1426881080 /nfs/dbraw/zinc/88/10/80/1426881080.db2.gz SKSNMMVLKXFKHT-DNQXCXABSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](C[NH+](C)CC)C3)c2)C1 ZINC000173885555 1426881086 /nfs/dbraw/zinc/88/10/86/1426881086.db2.gz SKSNMMVLKXFKHT-DNQXCXABSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](C[NH+](C)CC)C3)c2)C1 ZINC000173885555 1426881087 /nfs/dbraw/zinc/88/10/87/1426881087.db2.gz SKSNMMVLKXFKHT-DNQXCXABSA-N 4 2 386.628 3.234 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000173911053 1426889048 /nfs/dbraw/zinc/88/90/48/1426889048.db2.gz BHPFOSRPDGAKIT-CABCVRRESA-N 2 2 387.597 3.214 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000173911053 1426889053 /nfs/dbraw/zinc/88/90/53/1426889053.db2.gz BHPFOSRPDGAKIT-CABCVRRESA-N 2 2 387.597 3.214 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000173911053 1426889056 /nfs/dbraw/zinc/88/90/56/1426889056.db2.gz BHPFOSRPDGAKIT-CABCVRRESA-N 2 2 387.597 3.214 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@@H](C)C4)C1 ZINC000173911053 1426889058 /nfs/dbraw/zinc/88/90/58/1426889058.db2.gz BHPFOSRPDGAKIT-CABCVRRESA-N 2 2 387.597 3.214 20 0 GGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000173925698 1426894969 /nfs/dbraw/zinc/89/49/69/1426894969.db2.gz SGLMKQLWUKQWJY-NQIIRXRSSA-N 2 2 396.510 3.343 20 0 GGADLP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000173925698 1426894974 /nfs/dbraw/zinc/89/49/74/1426894974.db2.gz SGLMKQLWUKQWJY-NQIIRXRSSA-N 2 2 396.510 3.343 20 0 GGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000173925686 1426895027 /nfs/dbraw/zinc/89/50/27/1426895027.db2.gz SGLMKQLWUKQWJY-GHTZIAJQSA-N 2 2 396.510 3.343 20 0 GGADLP C[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000173925686 1426895030 /nfs/dbraw/zinc/89/50/30/1426895030.db2.gz SGLMKQLWUKQWJY-GHTZIAJQSA-N 2 2 396.510 3.343 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961761 1426911929 /nfs/dbraw/zinc/91/19/29/1426911929.db2.gz VCSCNVPDCDRCLT-INIZCTEOSA-N 2 2 379.932 3.244 20 0 GGADLP CC[N@@H+](CC(=O)NCc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971920 1426916568 /nfs/dbraw/zinc/91/65/68/1426916568.db2.gz XUUTZVFSPBAILP-UHFFFAOYSA-N 2 2 384.499 3.075 20 0 GGADLP CC[N@H+](CC(=O)NCc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971920 1426916574 /nfs/dbraw/zinc/91/65/74/1426916574.db2.gz XUUTZVFSPBAILP-UHFFFAOYSA-N 2 2 384.499 3.075 20 0 GGADLP CC[N@H+](CCn1cnc2ccccc2c1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972066 1426916667 /nfs/dbraw/zinc/91/66/67/1426916667.db2.gz KDOLTDKUGQOZKX-UHFFFAOYSA-N 2 2 391.519 3.030 20 0 GGADLP CC[N@@H+](CCn1cnc2ccccc2c1=O)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972066 1426916674 /nfs/dbraw/zinc/91/66/74/1426916674.db2.gz KDOLTDKUGQOZKX-UHFFFAOYSA-N 2 2 391.519 3.030 20 0 GGADLP CC[N@@H+](Cc1nc2ccccc2c(=O)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972389 1426918149 /nfs/dbraw/zinc/91/81/49/1426918149.db2.gz GNSOGVNKCAKDCY-UHFFFAOYSA-N 2 2 391.519 3.067 20 0 GGADLP CC[N@H+](Cc1nc2ccccc2c(=O)n1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972389 1426918152 /nfs/dbraw/zinc/91/81/52/1426918152.db2.gz GNSOGVNKCAKDCY-UHFFFAOYSA-N 2 2 391.519 3.067 20 0 GGADLP C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978416 1426922940 /nfs/dbraw/zinc/92/29/40/1426922940.db2.gz BHFNRAZLHVUWCP-GOSISDBHSA-N 2 2 396.922 3.302 20 0 GGADLP C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173978416 1426922948 /nfs/dbraw/zinc/92/29/48/1426922948.db2.gz BHFNRAZLHVUWCP-GOSISDBHSA-N 2 2 396.922 3.302 20 0 GGADLP C[NH+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173978416 1426922963 /nfs/dbraw/zinc/92/29/63/1426922963.db2.gz BHFNRAZLHVUWCP-GOSISDBHSA-N 2 2 396.922 3.302 20 0 GGADLP C[NH+](Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173978416 1426922971 /nfs/dbraw/zinc/92/29/71/1426922971.db2.gz BHFNRAZLHVUWCP-GOSISDBHSA-N 2 2 396.922 3.302 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000174015929 1426945350 /nfs/dbraw/zinc/94/53/50/1426945350.db2.gz BNNXDYOHOMNQCD-UHFFFAOYSA-N 2 2 386.462 3.281 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000174015929 1426945355 /nfs/dbraw/zinc/94/53/55/1426945355.db2.gz BNNXDYOHOMNQCD-UHFFFAOYSA-N 2 2 386.462 3.281 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000174109368 1427006066 /nfs/dbraw/zinc/00/60/66/1427006066.db2.gz AEVJJBKEGZTABC-UHFFFAOYSA-N 2 2 386.512 3.491 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000174109368 1427006069 /nfs/dbraw/zinc/00/60/69/1427006069.db2.gz AEVJJBKEGZTABC-UHFFFAOYSA-N 2 2 386.512 3.491 20 0 GGADLP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000174155321 1427023858 /nfs/dbraw/zinc/02/38/58/1427023858.db2.gz JMJKMXSQMQFYKK-NRFANRHFSA-N 2 2 381.451 3.367 20 0 GGADLP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000174155321 1427023859 /nfs/dbraw/zinc/02/38/59/1427023859.db2.gz JMJKMXSQMQFYKK-NRFANRHFSA-N 2 2 381.451 3.367 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 ZINC000174302119 1427092090 /nfs/dbraw/zinc/09/20/90/1427092090.db2.gz SMTCFSBWVGALOA-MSOLQXFVSA-N 2 2 383.536 3.106 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000174302104 1427092179 /nfs/dbraw/zinc/09/21/79/1427092179.db2.gz SMTCFSBWVGALOA-ROUUACIJSA-N 2 2 383.536 3.106 20 0 GGADLP CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000174341138 1427110748 /nfs/dbraw/zinc/11/07/48/1427110748.db2.gz AXNKCHVLYJSTGG-UXHICEINSA-N 2 2 391.581 3.063 20 0 GGADLP CCS[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000174341138 1427110752 /nfs/dbraw/zinc/11/07/52/1427110752.db2.gz AXNKCHVLYJSTGG-UXHICEINSA-N 2 2 391.581 3.063 20 0 GGADLP CC[N@H+](C[C@@H](O)COCc1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390471 1427134215 /nfs/dbraw/zinc/13/42/15/1427134215.db2.gz QIZOSBSKRLVRSY-LJQANCHMSA-N 2 2 389.565 3.259 20 0 GGADLP CC[N@@H+](C[C@@H](O)COCc1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390471 1427134226 /nfs/dbraw/zinc/13/42/26/1427134226.db2.gz QIZOSBSKRLVRSY-LJQANCHMSA-N 2 2 389.565 3.259 20 0 GGADLP CC[N@H+](CCS(=O)(=O)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392436 1427135092 /nfs/dbraw/zinc/13/50/92/1427135092.db2.gz ONXVFDQBIKOMHV-UHFFFAOYSA-N 2 2 387.549 3.094 20 0 GGADLP CC[N@@H+](CCS(=O)(=O)c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174392436 1427135097 /nfs/dbraw/zinc/13/50/97/1427135097.db2.gz ONXVFDQBIKOMHV-UHFFFAOYSA-N 2 2 387.549 3.094 20 0 GGADLP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391507 1427135231 /nfs/dbraw/zinc/13/52/31/1427135231.db2.gz PFYZDEGIRKSTMM-UHFFFAOYSA-N 2 2 382.508 3.267 20 0 GGADLP CC[N@H+](CC(=O)Nc1cccc(OC)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391507 1427135235 /nfs/dbraw/zinc/13/52/35/1427135235.db2.gz PFYZDEGIRKSTMM-UHFFFAOYSA-N 2 2 382.508 3.267 20 0 GGADLP CC[N@@H+](CC(=O)NCCc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391193 1427135351 /nfs/dbraw/zinc/13/53/51/1427135351.db2.gz WDZCJKURYDNITM-UHFFFAOYSA-N 2 2 394.563 3.287 20 0 GGADLP CC[N@H+](CC(=O)NCCc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391193 1427135356 /nfs/dbraw/zinc/13/53/56/1427135356.db2.gz WDZCJKURYDNITM-UHFFFAOYSA-N 2 2 394.563 3.287 20 0 GGADLP CC[N@@H+](Cc1cnc2c(c1)c(C)nn2C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393564 1427135998 /nfs/dbraw/zinc/13/59/98/1427135998.db2.gz UAUQPSQZGJPUCJ-UHFFFAOYSA-N 2 2 378.524 3.410 20 0 GGADLP CC[N@H+](Cc1cnc2c(c1)c(C)nn2C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174393564 1427136002 /nfs/dbraw/zinc/13/60/02/1427136002.db2.gz UAUQPSQZGJPUCJ-UHFFFAOYSA-N 2 2 378.524 3.410 20 0 GGADLP COc1ccccc1CN(C)C(=O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174399206 1427138515 /nfs/dbraw/zinc/13/85/15/1427138515.db2.gz UGXZJFRTSBKDAD-NRFANRHFSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccccc1CN(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174399206 1427138518 /nfs/dbraw/zinc/13/85/18/1427138518.db2.gz UGXZJFRTSBKDAD-NRFANRHFSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccccc1CN(C)C(=O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174399206 1427138524 /nfs/dbraw/zinc/13/85/24/1427138524.db2.gz UGXZJFRTSBKDAD-NRFANRHFSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccccc1CN(C)C(=O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174399206 1427138530 /nfs/dbraw/zinc/13/85/30/1427138530.db2.gz UGXZJFRTSBKDAD-NRFANRHFSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccc(CN(C)C(=O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174400905 1427140300 /nfs/dbraw/zinc/14/03/00/1427140300.db2.gz HRFNBHFUCBFHRF-JOCHJYFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccc(CN(C)C(=O)C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174400905 1427140303 /nfs/dbraw/zinc/14/03/03/1427140303.db2.gz HRFNBHFUCBFHRF-JOCHJYFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174400905 1427140311 /nfs/dbraw/zinc/14/03/11/1427140311.db2.gz HRFNBHFUCBFHRF-JOCHJYFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccc(CN(C)C(=O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174400905 1427140317 /nfs/dbraw/zinc/14/03/17/1427140317.db2.gz HRFNBHFUCBFHRF-JOCHJYFZSA-N 2 2 395.547 3.108 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3csc(-c4ccccc4OC)n3)C2)CC1 ZINC000174544673 1427214781 /nfs/dbraw/zinc/21/47/81/1427214781.db2.gz IZQGUWDBFRWCOQ-GOSISDBHSA-N 2 2 386.565 3.031 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(-c4ccccc4OC)n3)C2)CC1 ZINC000174544673 1427214784 /nfs/dbraw/zinc/21/47/84/1427214784.db2.gz IZQGUWDBFRWCOQ-GOSISDBHSA-N 2 2 386.565 3.031 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4ccccc4OC)n3)C2)CC1 ZINC000174544687 1427214928 /nfs/dbraw/zinc/21/49/28/1427214928.db2.gz IZQGUWDBFRWCOQ-SFHVURJKSA-N 2 2 386.565 3.031 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4ccccc4OC)n3)C2)CC1 ZINC000174544687 1427214938 /nfs/dbraw/zinc/21/49/38/1427214938.db2.gz IZQGUWDBFRWCOQ-SFHVURJKSA-N 2 2 386.565 3.031 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000174712950 1427324893 /nfs/dbraw/zinc/32/48/93/1427324893.db2.gz PUUQXDKJPJOCJO-UHFFFAOYSA-N 2 2 387.572 3.061 20 0 GGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713352 1427325765 /nfs/dbraw/zinc/32/57/65/1427325765.db2.gz NSHBARACJSQULG-UHFFFAOYSA-N 2 2 388.600 3.441 20 0 GGADLP CC(C)c1cccc(C(C)C)c1NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174713352 1427325771 /nfs/dbraw/zinc/32/57/71/1427325771.db2.gz NSHBARACJSQULG-UHFFFAOYSA-N 2 2 388.600 3.441 20 0 GGADLP O=C(CC[NH+]1CCN(c2ccccc2)CC1)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000174717653 1427327921 /nfs/dbraw/zinc/32/79/21/1427327921.db2.gz LLDXVUPLSZKVCI-UHFFFAOYSA-N 2 2 393.466 3.162 20 0 GGADLP C[C@@H](CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000175233867 1427616335 /nfs/dbraw/zinc/61/63/35/1427616335.db2.gz HYGBECLTOZYSKW-IBGZPJMESA-N 2 2 395.551 3.392 20 0 GGADLP C[C@@H](CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000175233867 1427616343 /nfs/dbraw/zinc/61/63/43/1427616343.db2.gz HYGBECLTOZYSKW-IBGZPJMESA-N 2 2 395.551 3.392 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175234668 1427616537 /nfs/dbraw/zinc/61/65/37/1427616537.db2.gz MTOSSPXXVVXXPE-UHFFFAOYSA-N 2 2 399.583 3.204 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000175364643 1427708557 /nfs/dbraw/zinc/70/85/57/1427708557.db2.gz LNEZOUVSGQGDMM-UHFFFAOYSA-N 2 2 397.567 3.489 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000175475882 1427775918 /nfs/dbraw/zinc/77/59/18/1427775918.db2.gz OBPUWZCVTYJZJG-UHFFFAOYSA-N 2 2 387.572 3.061 20 0 GGADLP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175552754 1427812631 /nfs/dbraw/zinc/81/26/31/1427812631.db2.gz WGOVZSAQDNFRBO-HXUWFJFHSA-N 2 2 387.572 3.061 20 0 GGADLP CCC[N@H+]1CC[C@H](CNC(=O)N(CC)CC2CCN(c3cccc[nH+]3)CC2)C1 ZINC000175552754 1427812633 /nfs/dbraw/zinc/81/26/33/1427812633.db2.gz WGOVZSAQDNFRBO-HXUWFJFHSA-N 2 2 387.572 3.061 20 0 GGADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000175629465 1427837819 /nfs/dbraw/zinc/83/78/19/1427837819.db2.gz VUHJKVUMMJCUIP-OALUTQOASA-N 2 2 398.551 3.290 20 0 GGADLP CC(C)OCc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000175634675 1427839494 /nfs/dbraw/zinc/83/94/94/1427839494.db2.gz QIJVGQHDMZUBNH-UHFFFAOYSA-N 2 2 376.545 3.101 20 0 GGADLP CC(C)OCc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000175634675 1427839496 /nfs/dbraw/zinc/83/94/96/1427839496.db2.gz QIJVGQHDMZUBNH-UHFFFAOYSA-N 2 2 376.545 3.101 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175681716 1427855150 /nfs/dbraw/zinc/85/51/50/1427855150.db2.gz VJDACRIMUJJPQN-UHFFFAOYSA-N 2 2 385.487 3.218 20 0 GGADLP CCc1ccc(C(C)(C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000175733157 1427872795 /nfs/dbraw/zinc/87/27/95/1427872795.db2.gz YOLZLHYWEQENBX-UHFFFAOYSA-N 2 2 386.584 3.342 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000175932189 1427980980 /nfs/dbraw/zinc/98/09/80/1427980980.db2.gz FCPIWXWSHRAHJB-PMACEKPBSA-N 2 2 385.483 3.336 20 0 GGADLP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000175932189 1427980986 /nfs/dbraw/zinc/98/09/86/1427980986.db2.gz FCPIWXWSHRAHJB-PMACEKPBSA-N 2 2 385.483 3.336 20 0 GGADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c(F)cccc1Cl ZINC000176020745 1428031399 /nfs/dbraw/zinc/03/13/99/1428031399.db2.gz DBGIAEOIECWHQI-CQSZACIVSA-N 2 2 396.938 3.398 20 0 GGADLP CSCCc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000176022683 1428032124 /nfs/dbraw/zinc/03/21/24/1428032124.db2.gz DCVXZCYIRXRFGK-UHFFFAOYSA-N 2 2 378.586 3.082 20 0 GGADLP CSCCc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000176022683 1428032129 /nfs/dbraw/zinc/03/21/29/1428032129.db2.gz DCVXZCYIRXRFGK-UHFFFAOYSA-N 2 2 378.586 3.082 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000176062879 1428060935 /nfs/dbraw/zinc/06/09/35/1428060935.db2.gz QZGAJBVCOOYPKT-UHFFFAOYSA-N 2 2 390.425 3.334 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000176062879 1428060944 /nfs/dbraw/zinc/06/09/44/1428060944.db2.gz QZGAJBVCOOYPKT-UHFFFAOYSA-N 2 2 390.425 3.334 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000176148157 1428119077 /nfs/dbraw/zinc/11/90/77/1428119077.db2.gz ARXKITNRPSJZHZ-CQSZACIVSA-N 2 2 384.927 3.208 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1c(F)cccc1Cl ZINC000176148157 1428119089 /nfs/dbraw/zinc/11/90/89/1428119089.db2.gz ARXKITNRPSJZHZ-CQSZACIVSA-N 2 2 384.927 3.208 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Oc4ccccc4)o3)CC2)CC1 ZINC000176218032 1428173694 /nfs/dbraw/zinc/17/36/94/1428173694.db2.gz UXOLEMSUBSJHNA-UHFFFAOYSA-N 2 2 383.492 3.360 20 0 GGADLP Cn1cc([C@@H]([NH2+]Cc2ccccc2OCC[NH+](C)C)c2cccc(F)c2)cn1 ZINC000180330580 1429837589 /nfs/dbraw/zinc/83/75/89/1429837589.db2.gz NAKGWOCVZAMYBH-QFIPXVFZSA-N 2 2 382.483 3.379 20 0 GGADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H](c2ccccc2)c2ccccn2)c1 ZINC000180413247 1429861836 /nfs/dbraw/zinc/86/18/36/1429861836.db2.gz YSYMCUOJEADXQZ-QHCPKHFHSA-N 2 2 388.515 3.252 20 0 GGADLP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000180475411 1429878218 /nfs/dbraw/zinc/87/82/18/1429878218.db2.gz DUEMVDONNODZAG-GOSISDBHSA-N 2 2 377.492 3.192 20 0 GGADLP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000180683282 1429974597 /nfs/dbraw/zinc/97/45/97/1429974597.db2.gz SFHFGAHUTNHKHZ-QZTJIDSGSA-N 2 2 376.545 3.100 20 0 GGADLP CC[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(OC)cc1 ZINC000180772664 1430031320 /nfs/dbraw/zinc/03/13/20/1430031320.db2.gz YWFKTAWXKDYFKQ-HXUWFJFHSA-N 2 2 387.549 3.142 20 0 GGADLP CC[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(OC)cc1 ZINC000180773178 1430031694 /nfs/dbraw/zinc/03/16/94/1430031694.db2.gz LDFPOUSLZJGKHV-QFIPXVFZSA-N 2 2 397.519 3.207 20 0 GGADLP CCC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000180779738 1430034032 /nfs/dbraw/zinc/03/40/32/1430034032.db2.gz LAROYGDHSPPEIT-LEWJYISDSA-N 2 2 395.551 3.413 20 0 GGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c(C)c1 ZINC000180779513 1430034421 /nfs/dbraw/zinc/03/44/21/1430034421.db2.gz FZMAFWRCHAPXSR-WOJBJXKFSA-N 2 2 395.551 3.250 20 0 GGADLP CCC[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000180779698 1430034497 /nfs/dbraw/zinc/03/44/97/1430034497.db2.gz LAROYGDHSPPEIT-NHCUHLMSSA-N 2 2 395.551 3.413 20 0 GGADLP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1C ZINC000180785510 1430038254 /nfs/dbraw/zinc/03/82/54/1430038254.db2.gz IDDBIOVUYKPGRK-VQTJNVASSA-N 2 2 395.551 3.250 20 0 GGADLP O=C(COc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCC1 ZINC000180785386 1430038434 /nfs/dbraw/zinc/03/84/34/1430038434.db2.gz TUYVMWLAWLTZBF-KNQAVFIVSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCC1 ZINC000180785386 1430038442 /nfs/dbraw/zinc/03/84/42/1430038442.db2.gz TUYVMWLAWLTZBF-KNQAVFIVSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCC1 ZINC000180785386 1430038455 /nfs/dbraw/zinc/03/84/55/1430038455.db2.gz TUYVMWLAWLTZBF-KNQAVFIVSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCC1 ZINC000180785386 1430038457 /nfs/dbraw/zinc/03/84/57/1430038457.db2.gz TUYVMWLAWLTZBF-KNQAVFIVSA-N 2 2 397.563 3.137 20 0 GGADLP C[C@H](c1cccnc1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180806074 1430051302 /nfs/dbraw/zinc/05/13/02/1430051302.db2.gz KTVZMFKSPMNNAU-QGZVFWFLSA-N 2 2 384.549 3.262 20 0 GGADLP C[C@H](c1cccnc1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180806074 1430051310 /nfs/dbraw/zinc/05/13/10/1430051310.db2.gz KTVZMFKSPMNNAU-QGZVFWFLSA-N 2 2 384.549 3.262 20 0 GGADLP CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1F ZINC000180888141 1430091335 /nfs/dbraw/zinc/09/13/35/1430091335.db2.gz KGXACGHPZQCGLQ-FXAWDEMLSA-N 2 2 399.514 3.162 20 0 GGADLP CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1F ZINC000180888090 1430091396 /nfs/dbraw/zinc/09/13/96/1430091396.db2.gz KGXACGHPZQCGLQ-XLIONFOSSA-N 2 2 399.514 3.162 20 0 GGADLP Cc1ccc(-c2nnc([C@@H](C)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)o2)cc1C ZINC000180954685 1430133619 /nfs/dbraw/zinc/13/36/19/1430133619.db2.gz QPMPJORTOFEPLU-GOSISDBHSA-N 2 2 385.556 3.372 20 0 GGADLP Cc1ccc(-c2nnc([C@@H](C)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)o2)cc1C ZINC000180954685 1430133622 /nfs/dbraw/zinc/13/36/22/1430133622.db2.gz QPMPJORTOFEPLU-GOSISDBHSA-N 2 2 385.556 3.372 20 0 GGADLP C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181072440 1430198131 /nfs/dbraw/zinc/19/81/31/1430198131.db2.gz ZUSDVHZFTPWDHV-AWEZNQCLSA-N 2 2 387.484 3.495 20 0 GGADLP C[C@@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181072440 1430198138 /nfs/dbraw/zinc/19/81/38/1430198138.db2.gz ZUSDVHZFTPWDHV-AWEZNQCLSA-N 2 2 387.484 3.495 20 0 GGADLP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)C1=O ZINC000181287692 1430263312 /nfs/dbraw/zinc/26/33/12/1430263312.db2.gz KOUAOYJAROTAQX-VQIMIIECSA-N 2 2 376.460 3.337 20 0 GGADLP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1cccnc1 ZINC000181358705 1430281364 /nfs/dbraw/zinc/28/13/64/1430281364.db2.gz QMVFTBSYCAVJQZ-OXQOHEQNSA-N 2 2 386.927 3.339 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000181560760 1430320449 /nfs/dbraw/zinc/32/04/49/1430320449.db2.gz XESSGGSDVQOKOQ-PXNSSMCTSA-N 2 2 377.492 3.174 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000181560760 1430320451 /nfs/dbraw/zinc/32/04/51/1430320451.db2.gz XESSGGSDVQOKOQ-PXNSSMCTSA-N 2 2 377.492 3.174 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccoc2C(=O)OC)CC1 ZINC000181640606 1430332986 /nfs/dbraw/zinc/33/29/86/1430332986.db2.gz UVAWUMIVVRBDMD-OAHLLOKOSA-N 2 2 389.471 3.198 20 0 GGADLP CCCn1c(C)nnc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000181644095 1430333843 /nfs/dbraw/zinc/33/38/43/1430333843.db2.gz NXJCUDFGLKALOG-INIZCTEOSA-N 2 2 388.535 3.128 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)CC1 ZINC000181695099 1430342918 /nfs/dbraw/zinc/34/29/18/1430342918.db2.gz WJTXDOFKJIUIHD-OAHLLOKOSA-N 2 2 392.519 3.300 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4c(F)cccc4F)cs3)C2)CC1 ZINC000181695099 1430342921 /nfs/dbraw/zinc/34/29/21/1430342921.db2.gz WJTXDOFKJIUIHD-OAHLLOKOSA-N 2 2 392.519 3.300 20 0 GGADLP C[C@H]([NH2+][C@@H](C)C(C)(C)c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000181794598 1430361783 /nfs/dbraw/zinc/36/17/83/1430361783.db2.gz VUXVQUCRAUXJBP-OALUTQOASA-N 2 2 380.536 3.075 20 0 GGADLP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1 ZINC000182023394 1430398260 /nfs/dbraw/zinc/39/82/60/1430398260.db2.gz TVFZQOIHXOAWER-GOSISDBHSA-N 2 2 397.519 3.207 20 0 GGADLP CN(c1ccccc1C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CC[NH+](C)CC1 ZINC000182089012 1430409649 /nfs/dbraw/zinc/40/96/49/1430409649.db2.gz UIVDXCACFURKDC-HXUWFJFHSA-N 3 2 395.595 3.405 20 0 GGADLP CN(c1ccccc1C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)C1CC[NH+](C)CC1 ZINC000182089012 1430409654 /nfs/dbraw/zinc/40/96/54/1430409654.db2.gz UIVDXCACFURKDC-HXUWFJFHSA-N 3 2 395.595 3.405 20 0 GGADLP COc1ccc([C@@H](CNC(=O)C[NH2+][C@H](C)c2ccccn2)[NH+]2CCCCC2)cc1 ZINC000182178022 1430424821 /nfs/dbraw/zinc/42/48/21/1430424821.db2.gz ARBIJNCACBAVJI-XMSQKQJNSA-N 2 2 396.535 3.084 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182268537 1430440072 /nfs/dbraw/zinc/44/00/72/1430440072.db2.gz QGLUALXMFYLDRM-MBSDFSHPSA-N 3 2 376.504 3.290 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000182268537 1430440076 /nfs/dbraw/zinc/44/00/76/1430440076.db2.gz QGLUALXMFYLDRM-MBSDFSHPSA-N 3 2 376.504 3.290 20 0 GGADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182561149 1430492466 /nfs/dbraw/zinc/49/24/66/1430492466.db2.gz WHCFKBPNIWUQBY-FUHWJXTLSA-N 2 2 399.514 3.464 20 0 GGADLP C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182561149 1430492468 /nfs/dbraw/zinc/49/24/68/1430492468.db2.gz WHCFKBPNIWUQBY-FUHWJXTLSA-N 2 2 399.514 3.464 20 0 GGADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182586025 1430497740 /nfs/dbraw/zinc/49/77/40/1430497740.db2.gz OUSDHGUPKQELGM-SJORKVTESA-N 2 2 377.916 3.076 20 0 GGADLP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000182586025 1430497742 /nfs/dbraw/zinc/49/77/42/1430497742.db2.gz OUSDHGUPKQELGM-SJORKVTESA-N 2 2 377.916 3.076 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(C[NH+]3CCCCC3)c2)CC1 ZINC000182614434 1430502777 /nfs/dbraw/zinc/50/27/77/1430502777.db2.gz KYRHLRRKEIVQEN-IBGZPJMESA-N 3 2 389.584 3.443 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000182639915 1430507966 /nfs/dbraw/zinc/50/79/66/1430507966.db2.gz XRUOTZACHLWJCF-DLBZAZTESA-N 2 2 378.476 3.216 20 0 GGADLP CC(C)OCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182775926 1430537733 /nfs/dbraw/zinc/53/77/33/1430537733.db2.gz UCAQGKODYVEJJN-RTWAWAEBSA-N 2 2 396.620 3.170 20 0 GGADLP CC(C)OCCCCNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182775926 1430537736 /nfs/dbraw/zinc/53/77/36/1430537736.db2.gz UCAQGKODYVEJJN-RTWAWAEBSA-N 2 2 396.620 3.170 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000182872257 1430558630 /nfs/dbraw/zinc/55/86/30/1430558630.db2.gz WQFGYWJNYCEXNG-QKNQBKEWSA-N 2 2 399.583 3.123 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182872257 1430558632 /nfs/dbraw/zinc/55/86/32/1430558632.db2.gz WQFGYWJNYCEXNG-QKNQBKEWSA-N 2 2 399.583 3.123 20 0 GGADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182872239 1430558646 /nfs/dbraw/zinc/55/86/46/1430558646.db2.gz WQFGYWJNYCEXNG-IRFCIJBXSA-N 2 2 399.583 3.123 20 0 GGADLP C[C@H](NC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182872239 1430558651 /nfs/dbraw/zinc/55/86/51/1430558651.db2.gz WQFGYWJNYCEXNG-IRFCIJBXSA-N 2 2 399.583 3.123 20 0 GGADLP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1ccc(F)cc1Cl ZINC000182965095 1430581908 /nfs/dbraw/zinc/58/19/08/1430581908.db2.gz BQKXZVAVKYTPHY-UHFFFAOYSA-N 2 2 397.922 3.242 20 0 GGADLP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182978476 1430584406 /nfs/dbraw/zinc/58/44/06/1430584406.db2.gz CDESZJUWLIQGLY-UHFFFAOYSA-N 2 2 393.959 3.411 20 0 GGADLP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182980791 1430584570 /nfs/dbraw/zinc/58/45/70/1430584570.db2.gz UUJHRJSWGKONMT-MRXNPFEDSA-N 2 2 395.494 3.116 20 0 GGADLP C[C@H](C(=O)Nc1c(F)cccc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182985465 1430585609 /nfs/dbraw/zinc/58/56/09/1430585609.db2.gz HFYIBLIZXVUEMV-MRXNPFEDSA-N 2 2 395.494 3.116 20 0 GGADLP C[C@@H](Nc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183005260 1430590510 /nfs/dbraw/zinc/59/05/10/1430590510.db2.gz GTDZLJHQWHOPHZ-VGOFRKELSA-N 2 2 389.503 3.495 20 0 GGADLP C[C@@H](Nc1cccc(C[N@H+]2CCC[C@@H]2C(N)=O)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000183005260 1430590513 /nfs/dbraw/zinc/59/05/13/1430590513.db2.gz GTDZLJHQWHOPHZ-VGOFRKELSA-N 2 2 389.503 3.495 20 0 GGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cn(C)nc2C2CCCCC2)CC1 ZINC000183024181 1430595101 /nfs/dbraw/zinc/59/51/01/1430595101.db2.gz AWRMRERUTHVWOK-PMACEKPBSA-N 2 2 387.616 3.458 20 0 GGADLP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000183125825 1430621468 /nfs/dbraw/zinc/62/14/68/1430621468.db2.gz VUJCXMQMNZFGSP-HBMCJLEFSA-N 2 2 379.552 3.395 20 0 GGADLP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]Cc4nnc5n4CCCCC5)[C@@H]3C2)cc1 ZINC000183125825 1430621476 /nfs/dbraw/zinc/62/14/76/1430621476.db2.gz VUJCXMQMNZFGSP-HBMCJLEFSA-N 2 2 379.552 3.395 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1 ZINC000183137914 1430626172 /nfs/dbraw/zinc/62/61/72/1430626172.db2.gz GTCXEFIRTLSBNE-HXUWFJFHSA-N 2 2 383.540 3.282 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1 ZINC000183137914 1430626183 /nfs/dbraw/zinc/62/61/83/1430626183.db2.gz GTCXEFIRTLSBNE-HXUWFJFHSA-N 2 2 383.540 3.282 20 0 GGADLP Cn1c(Cl)cnc1C[NH+](C)CCCCC[N@@H+](C)Cc1ncc(Cl)n1C ZINC000183272114 1430666309 /nfs/dbraw/zinc/66/63/09/1430666309.db2.gz BVGIMAJYUNARLR-UHFFFAOYSA-N 2 2 387.359 3.195 20 0 GGADLP Cn1c(Cl)cnc1C[NH+](C)CCCCC[N@H+](C)Cc1ncc(Cl)n1C ZINC000183272114 1430666316 /nfs/dbraw/zinc/66/63/16/1430666316.db2.gz BVGIMAJYUNARLR-UHFFFAOYSA-N 2 2 387.359 3.195 20 0 GGADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000183343604 1430683272 /nfs/dbraw/zinc/68/32/72/1430683272.db2.gz ZZWUUAFURHMFLM-KRWDZBQOSA-N 2 2 379.460 3.334 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+][C@@H](c3ccccc3)c3ccc(F)cn3)ccn2)CC1 ZINC000183363876 1430690370 /nfs/dbraw/zinc/69/03/70/1430690370.db2.gz FDPRBUCQKNTXBD-QHCPKHFHSA-N 2 2 391.494 3.247 20 0 GGADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000183401864 1430702259 /nfs/dbraw/zinc/70/22/59/1430702259.db2.gz JJOHKRQUDPUKQP-JOCHJYFZSA-N 2 2 376.504 3.344 20 0 GGADLP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000183405322 1430702933 /nfs/dbraw/zinc/70/29/33/1430702933.db2.gz UCKTZSHENCHLPW-JOCHJYFZSA-N 2 2 394.494 3.483 20 0 GGADLP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000183405402 1430702996 /nfs/dbraw/zinc/70/29/96/1430702996.db2.gz RCBODOZKQSBTAF-HNNXBMFYSA-N 2 2 383.423 3.414 20 0 GGADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000183405417 1430703407 /nfs/dbraw/zinc/70/34/07/1430703407.db2.gz RCBODOZKQSBTAF-OAHLLOKOSA-N 2 2 383.423 3.414 20 0 GGADLP O=c1oc2ccc(Cl)cc2n1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000183518535 1430733588 /nfs/dbraw/zinc/73/35/88/1430733588.db2.gz LQXQCFNJAHJEAY-UHFFFAOYSA-N 2 2 393.915 3.030 20 0 GGADLP O=c1oc2cc(Cl)ccc2n1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000183522300 1430734352 /nfs/dbraw/zinc/73/43/52/1430734352.db2.gz PAXGUADHPFZSDS-UHFFFAOYSA-N 2 2 393.915 3.030 20 0 GGADLP COc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000183668393 1430767617 /nfs/dbraw/zinc/76/76/17/1430767617.db2.gz BABVRJJKNNBVHA-PMACEKPBSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(F)cc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000183668393 1430767622 /nfs/dbraw/zinc/76/76/22/1430767622.db2.gz BABVRJJKNNBVHA-PMACEKPBSA-N 2 2 391.531 3.244 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](C)c2sc(-c3ccccc3)nc2C)CC1 ZINC000183729797 1430782234 /nfs/dbraw/zinc/78/22/34/1430782234.db2.gz VJGADMIUEMFKHP-DOTOQJQBSA-N 2 2 386.565 3.322 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000183816447 1430800682 /nfs/dbraw/zinc/80/06/82/1430800682.db2.gz NXMCIWPUVDJATM-MRXNPFEDSA-N 2 2 392.425 3.057 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000183994404 1430825796 /nfs/dbraw/zinc/82/57/96/1430825796.db2.gz MKAZEOACGUIFKS-MRXNPFEDSA-N 2 2 376.570 3.011 20 0 GGADLP C[NH+](C)CC1(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CCCC1 ZINC000184009564 1430828441 /nfs/dbraw/zinc/82/84/41/1430828441.db2.gz KPWYFJIJOSCKPS-UHFFFAOYSA-N 2 2 385.512 3.206 20 0 GGADLP CC(C)[C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000184445358 1430888669 /nfs/dbraw/zinc/88/86/69/1430888669.db2.gz DMMBYYJQPJOPJT-MOPGFXCFSA-N 2 2 378.605 3.449 20 0 GGADLP COc1cc(Cl)cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000184684786 1430942068 /nfs/dbraw/zinc/94/20/68/1430942068.db2.gz LSUVPFDQFLMNBU-IYBDPMFKSA-N 2 2 381.948 3.045 20 0 GGADLP COc1cc(Cl)cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1O ZINC000184684786 1430942070 /nfs/dbraw/zinc/94/20/70/1430942070.db2.gz LSUVPFDQFLMNBU-IYBDPMFKSA-N 2 2 381.948 3.045 20 0 GGADLP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ncc(-c2ccccc2)o1 ZINC000184689068 1430943269 /nfs/dbraw/zinc/94/32/69/1430943269.db2.gz ZMVQORDNWJCALX-YLJYHZDGSA-N 2 2 392.503 3.411 20 0 GGADLP CC[NH+]1CCN(c2cccc(NC(=O)NCCCCNc3cccc[nH+]3)c2)CC1 ZINC000184914002 1431019745 /nfs/dbraw/zinc/01/97/45/1431019745.db2.gz YQOQBJVCURIQMK-UHFFFAOYSA-N 2 2 396.539 3.237 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184934133 1431025040 /nfs/dbraw/zinc/02/50/40/1431025040.db2.gz HMWJXCFEELJEEY-QRWLVFNGSA-N 2 2 375.463 3.377 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184934133 1431025047 /nfs/dbraw/zinc/02/50/47/1431025047.db2.gz HMWJXCFEELJEEY-QRWLVFNGSA-N 2 2 375.463 3.377 20 0 GGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184934113 1431025282 /nfs/dbraw/zinc/02/52/82/1431025282.db2.gz HMWJXCFEELJEEY-YWZLYKJASA-N 2 2 375.463 3.377 20 0 GGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184934113 1431025287 /nfs/dbraw/zinc/02/52/87/1431025287.db2.gz HMWJXCFEELJEEY-YWZLYKJASA-N 2 2 375.463 3.377 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000184987130 1431036726 /nfs/dbraw/zinc/03/67/26/1431036726.db2.gz OQBLFSFJQRLPCR-SFHVURJKSA-N 2 2 383.517 3.192 20 0 GGADLP Cc1cnc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000185005144 1431040457 /nfs/dbraw/zinc/04/04/57/1431040457.db2.gz AEFMATIHFYDFPO-OAHLLOKOSA-N 2 2 390.578 3.290 20 0 GGADLP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)cc(F)c1O ZINC000185414771 1431140142 /nfs/dbraw/zinc/14/01/42/1431140142.db2.gz DTSTUOGSLJTZGG-GXTWGEPZSA-N 2 2 389.309 3.181 20 0 GGADLP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cc(F)c1O ZINC000185414771 1431140157 /nfs/dbraw/zinc/14/01/57/1431140157.db2.gz DTSTUOGSLJTZGG-GXTWGEPZSA-N 2 2 389.309 3.181 20 0 GGADLP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185671179 1431201908 /nfs/dbraw/zinc/20/19/08/1431201908.db2.gz HQYAINLOQVTKGR-WCQYABFASA-N 2 2 377.298 3.301 20 0 GGADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675774 1431202765 /nfs/dbraw/zinc/20/27/65/1431202765.db2.gz CZHFFRFZYQIILY-GJZGRUSLSA-N 2 2 393.553 3.106 20 0 GGADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675774 1431202771 /nfs/dbraw/zinc/20/27/71/1431202771.db2.gz CZHFFRFZYQIILY-GJZGRUSLSA-N 2 2 393.553 3.106 20 0 GGADLP CCCCc1nnc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185715815 1431213862 /nfs/dbraw/zinc/21/38/62/1431213862.db2.gz YIHSIAHZILBXNT-HUUCEWRRSA-N 2 2 379.574 3.062 20 0 GGADLP CCCCc1nnc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185715815 1431213864 /nfs/dbraw/zinc/21/38/64/1431213864.db2.gz YIHSIAHZILBXNT-HUUCEWRRSA-N 2 2 379.574 3.062 20 0 GGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000185895957 1431268011 /nfs/dbraw/zinc/26/80/11/1431268011.db2.gz YZQUYASDLYUZEC-NRFANRHFSA-N 2 2 385.939 3.299 20 0 GGADLP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC1 ZINC000185895978 1431268134 /nfs/dbraw/zinc/26/81/34/1431268134.db2.gz YZQUYASDLYUZEC-OAQYLSRUSA-N 2 2 385.939 3.299 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186041793 1431317841 /nfs/dbraw/zinc/31/78/41/1431317841.db2.gz ZXFBJKYOVNDXAL-KRWDZBQOSA-N 2 2 396.516 3.263 20 0 GGADLP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000186344387 1431387899 /nfs/dbraw/zinc/38/78/99/1431387899.db2.gz NVLMWGXDWHVVGR-UHFFFAOYSA-N 2 2 384.524 3.119 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC1 ZINC000186414020 1431408790 /nfs/dbraw/zinc/40/87/90/1431408790.db2.gz JOHKZJRCBYWKGJ-PZJWPPBQSA-N 2 2 395.551 3.008 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC1 ZINC000186414020 1431408799 /nfs/dbraw/zinc/40/87/99/1431408799.db2.gz JOHKZJRCBYWKGJ-PZJWPPBQSA-N 2 2 395.551 3.008 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000186518692 1431444751 /nfs/dbraw/zinc/44/47/51/1431444751.db2.gz UDHWPOSVCISEPY-GUDVDZBRSA-N 2 2 378.582 3.400 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000186518692 1431444757 /nfs/dbraw/zinc/44/47/57/1431444757.db2.gz UDHWPOSVCISEPY-GUDVDZBRSA-N 2 2 378.582 3.400 20 0 GGADLP CSc1cccc(C)c1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000186793698 1431518480 /nfs/dbraw/zinc/51/84/80/1431518480.db2.gz LGBAIJUVXNGJLJ-UHFFFAOYSA-N 2 2 376.570 3.397 20 0 GGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000186880696 1431552169 /nfs/dbraw/zinc/55/21/69/1431552169.db2.gz QPZMWBTWNXHEEN-VGOFRKELSA-N 2 2 376.508 3.224 20 0 GGADLP C[C@@H]([NH2+]C[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000186880696 1431552176 /nfs/dbraw/zinc/55/21/76/1431552176.db2.gz QPZMWBTWNXHEEN-VGOFRKELSA-N 2 2 376.508 3.224 20 0 GGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000186880635 1431552451 /nfs/dbraw/zinc/55/24/51/1431552451.db2.gz QPZMWBTWNXHEEN-JTSKRJEESA-N 2 2 376.508 3.224 20 0 GGADLP C[C@H]([NH2+]C[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000186880635 1431552454 /nfs/dbraw/zinc/55/24/54/1431552454.db2.gz QPZMWBTWNXHEEN-JTSKRJEESA-N 2 2 376.508 3.224 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](Cc3cc(-c4ccncc4)ccc3OC)CC2)c1 ZINC000186934557 1431570332 /nfs/dbraw/zinc/57/03/32/1431570332.db2.gz VBIURLOGVRUUAK-UHFFFAOYSA-N 2 2 390.487 3.483 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc3c2N=S=N3)[C@H](C)C1 ZINC000187011280 1431588739 /nfs/dbraw/zinc/58/87/39/1431588739.db2.gz HLCZRKSNUOTFFX-HUUCEWRRSA-N 2 2 391.541 3.078 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc3c2N=S=N3)[C@H](C)C1 ZINC000187011280 1431588741 /nfs/dbraw/zinc/58/87/41/1431588741.db2.gz HLCZRKSNUOTFFX-HUUCEWRRSA-N 2 2 391.541 3.078 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(CC)cccc2CC)[C@@H](C)C1 ZINC000187016470 1431590833 /nfs/dbraw/zinc/59/08/33/1431590833.db2.gz PQLIKUCZPLUTID-GHTZIAJQSA-N 2 2 389.584 3.477 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(CC)cccc2CC)[C@@H](C)C1 ZINC000187016470 1431590835 /nfs/dbraw/zinc/59/08/35/1431590835.db2.gz PQLIKUCZPLUTID-GHTZIAJQSA-N 2 2 389.584 3.477 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C)C1 ZINC000187019695 1431591692 /nfs/dbraw/zinc/59/16/92/1431591692.db2.gz HLANWLZFZTXJSI-LSTHTHJFSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@H](C)C1 ZINC000187019695 1431591695 /nfs/dbraw/zinc/59/16/95/1431591695.db2.gz HLANWLZFZTXJSI-LSTHTHJFSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000187022532 1431592854 /nfs/dbraw/zinc/59/28/54/1431592854.db2.gz AUPJYYQJCLAGDD-VCBZYWHSSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000187022532 1431592857 /nfs/dbraw/zinc/59/28/57/1431592857.db2.gz AUPJYYQJCLAGDD-VCBZYWHSSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000187024997 1431593123 /nfs/dbraw/zinc/59/31/23/1431593123.db2.gz SURILNNRYYXDEP-APWZRJJASA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C)C1 ZINC000187024997 1431593127 /nfs/dbraw/zinc/59/31/27/1431593127.db2.gz SURILNNRYYXDEP-APWZRJJASA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000187024900 1431593375 /nfs/dbraw/zinc/59/33/75/1431593375.db2.gz DXZNXBFOSSVHTE-GJYPPUQNSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000187024900 1431593380 /nfs/dbraw/zinc/59/33/80/1431593380.db2.gz DXZNXBFOSSVHTE-GJYPPUQNSA-N 2 2 381.948 3.394 20 0 GGADLP CCCc1cccc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000187236591 1431660169 /nfs/dbraw/zinc/66/01/69/1431660169.db2.gz IHCONJSSBPPSQD-OAQYLSRUSA-N 2 2 395.551 3.024 20 0 GGADLP CN1c2ccc(C[NH2+]C3CCN(c4ccc([NH+](C)C)cc4)CC3)cc2CCC1=O ZINC000187267804 1431674548 /nfs/dbraw/zinc/67/45/48/1431674548.db2.gz PPGPGPSQKRRPJU-UHFFFAOYSA-N 2 2 392.547 3.420 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187446916 1431732817 /nfs/dbraw/zinc/73/28/17/1431732817.db2.gz ALRHVJQFVFFGFA-RTWAWAEBSA-N 2 2 386.584 3.065 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000187446916 1431732821 /nfs/dbraw/zinc/73/28/21/1431732821.db2.gz ALRHVJQFVFFGFA-RTWAWAEBSA-N 2 2 386.584 3.065 20 0 GGADLP Fc1ccc([C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2ncc[nH]2)cc1 ZINC000187702600 1431801870 /nfs/dbraw/zinc/80/18/70/1431801870.db2.gz KANWIJJTOSANJN-JOCHJYFZSA-N 2 2 393.510 3.046 20 0 GGADLP C[C@@H](C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000187766163 1431809882 /nfs/dbraw/zinc/80/98/82/1431809882.db2.gz RTYFCFSXQHHSQT-KRWDZBQOSA-N 2 2 386.927 3.167 20 0 GGADLP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000187904861 1431825994 /nfs/dbraw/zinc/82/59/94/1431825994.db2.gz IKHGJZCTSCCJQA-QPPBQGQZSA-N 2 2 392.547 3.220 20 0 GGADLP Cc1cc(N2CCC([NH2+][C@H](c3ncc[nH]3)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000188114865 1431848461 /nfs/dbraw/zinc/84/84/61/1431848461.db2.gz FVVNRBVUKMSURS-FQEVSTJZSA-N 2 2 380.471 3.304 20 0 GGADLP COc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1SC ZINC000188262618 1431866872 /nfs/dbraw/zinc/86/68/72/1431866872.db2.gz PCCBNWWTFMWZBD-QFIPXVFZSA-N 2 2 386.561 3.486 20 0 GGADLP COc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1SC ZINC000188262618 1431866874 /nfs/dbraw/zinc/86/68/74/1431866874.db2.gz PCCBNWWTFMWZBD-QFIPXVFZSA-N 2 2 386.561 3.486 20 0 GGADLP COc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC000188262618 1431866875 /nfs/dbraw/zinc/86/68/75/1431866875.db2.gz PCCBNWWTFMWZBD-QFIPXVFZSA-N 2 2 386.561 3.486 20 0 GGADLP COc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000188262618 1431866876 /nfs/dbraw/zinc/86/68/76/1431866876.db2.gz PCCBNWWTFMWZBD-QFIPXVFZSA-N 2 2 386.561 3.486 20 0 GGADLP C[N@H+](Cc1cccc(OC(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188306388 1431871457 /nfs/dbraw/zinc/87/14/57/1431871457.db2.gz SNLODOKRFYGVGQ-NRFANRHFSA-N 2 2 376.447 3.357 20 0 GGADLP C[N@@H+](Cc1cccc(OC(F)F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188306388 1431871458 /nfs/dbraw/zinc/87/14/58/1431871458.db2.gz SNLODOKRFYGVGQ-NRFANRHFSA-N 2 2 376.447 3.357 20 0 GGADLP C[NH+](Cc1cccc(OC(F)F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188306388 1431871459 /nfs/dbraw/zinc/87/14/59/1431871459.db2.gz SNLODOKRFYGVGQ-NRFANRHFSA-N 2 2 376.447 3.357 20 0 GGADLP C[NH+](Cc1cccc(OC(F)F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188306388 1431871461 /nfs/dbraw/zinc/87/14/61/1431871461.db2.gz SNLODOKRFYGVGQ-NRFANRHFSA-N 2 2 376.447 3.357 20 0 GGADLP CC(C)n1ncc2cc(C[N@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cnc21 ZINC000188310068 1431871779 /nfs/dbraw/zinc/87/17/79/1431871779.db2.gz ZAZOGUDRAPQZAW-HSZRJFAPSA-N 2 2 393.535 3.081 20 0 GGADLP CC(C)n1ncc2cc(C[N@@H+](C)C[C@]3(O)CC[NH+](Cc4ccccc4)C3)cnc21 ZINC000188310068 1431871781 /nfs/dbraw/zinc/87/17/81/1431871781.db2.gz ZAZOGUDRAPQZAW-HSZRJFAPSA-N 2 2 393.535 3.081 20 0 GGADLP CC(C)n1ncc2cc(C[NH+](C)C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cnc21 ZINC000188310068 1431871783 /nfs/dbraw/zinc/87/17/83/1431871783.db2.gz ZAZOGUDRAPQZAW-HSZRJFAPSA-N 2 2 393.535 3.081 20 0 GGADLP CC(C)n1ncc2cc(C[NH+](C)C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)cnc21 ZINC000188310068 1431871784 /nfs/dbraw/zinc/87/17/84/1431871784.db2.gz ZAZOGUDRAPQZAW-HSZRJFAPSA-N 2 2 393.535 3.081 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188504878 1431889856 /nfs/dbraw/zinc/88/98/56/1431889856.db2.gz SQSMQSVPAVYJEC-LPHOPBHVSA-N 2 2 384.490 3.156 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188504878 1431889857 /nfs/dbraw/zinc/88/98/57/1431889857.db2.gz SQSMQSVPAVYJEC-LPHOPBHVSA-N 2 2 384.490 3.156 20 0 GGADLP Fc1cc(Cl)ccc1C[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000189284701 1432078696 /nfs/dbraw/zinc/07/86/96/1432078696.db2.gz YXDWUMGLWFTENV-UHFFFAOYSA-N 2 2 378.875 3.480 20 0 GGADLP O=C1[C@@H]([N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000189368471 1432094537 /nfs/dbraw/zinc/09/45/37/1432094537.db2.gz DFKIGBTZKRRXKY-FPOVZHCZSA-N 2 2 391.506 3.406 20 0 GGADLP O=C1[C@@H]([N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000189368471 1432094540 /nfs/dbraw/zinc/09/45/40/1432094540.db2.gz DFKIGBTZKRRXKY-FPOVZHCZSA-N 2 2 391.506 3.406 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189476238 1432126540 /nfs/dbraw/zinc/12/65/40/1432126540.db2.gz LWBWBPRWKMPUJL-OXQOHEQNSA-N 2 2 379.495 3.120 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189476238 1432126554 /nfs/dbraw/zinc/12/65/54/1432126554.db2.gz LWBWBPRWKMPUJL-OXQOHEQNSA-N 2 2 379.495 3.120 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(Cc4ccccc4Cl)CC3)CC2)CC1 ZINC000189499095 1432136574 /nfs/dbraw/zinc/13/65/74/1432136574.db2.gz BJIQGJOYEJHLIX-UHFFFAOYSA-N 2 2 389.971 3.338 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1cccnc1Cl ZINC000189958915 1432289485 /nfs/dbraw/zinc/28/94/85/1432289485.db2.gz KCMBYAXXTFKBIJ-HOTGVXAUSA-N 2 2 386.927 3.420 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000189999163 1432301882 /nfs/dbraw/zinc/30/18/82/1432301882.db2.gz RTFICAZPXYQFCY-VQIMIIECSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000189999163 1432301886 /nfs/dbraw/zinc/30/18/86/1432301886.db2.gz RTFICAZPXYQFCY-VQIMIIECSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000190004393 1432303036 /nfs/dbraw/zinc/30/30/36/1432303036.db2.gz NNBUOILNTTVQOD-DNVCBOLYSA-N 2 2 382.932 3.353 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000190004393 1432303040 /nfs/dbraw/zinc/30/30/40/1432303040.db2.gz NNBUOILNTTVQOD-DNVCBOLYSA-N 2 2 382.932 3.353 20 0 GGADLP Cc1[nH+]cc(CN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000190312119 1432358152 /nfs/dbraw/zinc/35/81/52/1432358152.db2.gz WGTOBHJENDJFDH-XMMPIXPASA-N 2 2 390.531 3.250 20 0 GGADLP Cc1[nH+]cc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000190312119 1432358159 /nfs/dbraw/zinc/35/81/59/1432358159.db2.gz WGTOBHJENDJFDH-XMMPIXPASA-N 2 2 390.531 3.250 20 0 GGADLP CCOc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000190316173 1432359611 /nfs/dbraw/zinc/35/96/11/1432359611.db2.gz HQAFPLDBRFRHSG-QHCPKHFHSA-N 2 2 384.520 3.163 20 0 GGADLP CCOc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000190316173 1432359617 /nfs/dbraw/zinc/35/96/17/1432359617.db2.gz HQAFPLDBRFRHSG-QHCPKHFHSA-N 2 2 384.520 3.163 20 0 GGADLP CCOc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000190316173 1432359622 /nfs/dbraw/zinc/35/96/22/1432359622.db2.gz HQAFPLDBRFRHSG-QHCPKHFHSA-N 2 2 384.520 3.163 20 0 GGADLP CCOc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000190316173 1432359628 /nfs/dbraw/zinc/35/96/28/1432359628.db2.gz HQAFPLDBRFRHSG-QHCPKHFHSA-N 2 2 384.520 3.163 20 0 GGADLP CC[C@]1(C)Oc2ccc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)cc2O1 ZINC000190429768 1432380222 /nfs/dbraw/zinc/38/02/22/1432380222.db2.gz MHKCNYBQXSCEQG-OAQYLSRUSA-N 2 2 390.528 3.074 20 0 GGADLP CC[C@]1(C)Oc2ccc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)cc2O1 ZINC000190429768 1432380229 /nfs/dbraw/zinc/38/02/29/1432380229.db2.gz MHKCNYBQXSCEQG-OAQYLSRUSA-N 2 2 390.528 3.074 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000190959174 1432538061 /nfs/dbraw/zinc/53/80/61/1432538061.db2.gz MNBMUQVINOLIFV-INIZCTEOSA-N 2 2 388.535 3.165 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cn(C(C)(C)C)nn2)CC1 ZINC000190959156 1432538176 /nfs/dbraw/zinc/53/81/76/1432538176.db2.gz MNBMUQVINOLIFV-MRXNPFEDSA-N 2 2 388.535 3.165 20 0 GGADLP Cc1cc(C)c(N2CC[C@H]([NH2+]C3CC[NH+](CCOC(C)C)CC3)C2=O)c(C)c1 ZINC000190974494 1432541051 /nfs/dbraw/zinc/54/10/51/1432541051.db2.gz ZEVMJIOSYOSGAB-NRFANRHFSA-N 2 2 387.568 3.196 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000191490915 1432670903 /nfs/dbraw/zinc/67/09/03/1432670903.db2.gz LZSYUAPDMPFWDE-INIZCTEOSA-N 2 2 394.527 3.430 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 ZINC000191490915 1432670908 /nfs/dbraw/zinc/67/09/08/1432670908.db2.gz LZSYUAPDMPFWDE-INIZCTEOSA-N 2 2 394.527 3.430 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000191492844 1432671810 /nfs/dbraw/zinc/67/18/10/1432671810.db2.gz SLZMOVBYBHUMQT-UHFFFAOYSA-N 2 2 380.439 3.398 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccccc1OC(F)F ZINC000191492844 1432671817 /nfs/dbraw/zinc/67/18/17/1432671817.db2.gz SLZMOVBYBHUMQT-UHFFFAOYSA-N 2 2 380.439 3.398 20 0 GGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCS2 ZINC000191494018 1432671895 /nfs/dbraw/zinc/67/18/95/1432671895.db2.gz MOTDZMMNCPHGCI-NQIIRXRSSA-N 2 2 384.545 3.241 20 0 GGADLP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCS2 ZINC000191494018 1432671900 /nfs/dbraw/zinc/67/19/00/1432671900.db2.gz MOTDZMMNCPHGCI-NQIIRXRSSA-N 2 2 384.545 3.241 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cncn2)cc1 ZINC000191833292 1432735703 /nfs/dbraw/zinc/73/57/03/1432735703.db2.gz VVGLMETYJLYDAV-WMZHIEFXSA-N 2 2 391.519 3.209 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc(-n2cncn2)cc1 ZINC000191833292 1432735708 /nfs/dbraw/zinc/73/57/08/1432735708.db2.gz VVGLMETYJLYDAV-WMZHIEFXSA-N 2 2 391.519 3.209 20 0 GGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191836932 1432736530 /nfs/dbraw/zinc/73/65/30/1432736530.db2.gz MFGFWWBXINRSLF-NFBKMPQASA-N 2 2 395.547 3.309 20 0 GGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191836932 1432736538 /nfs/dbraw/zinc/73/65/38/1432736538.db2.gz MFGFWWBXINRSLF-NFBKMPQASA-N 2 2 395.547 3.309 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191836850 1432736817 /nfs/dbraw/zinc/73/68/17/1432736817.db2.gz WTVPHPMYDFJALP-GCJKJVERSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191836850 1432736820 /nfs/dbraw/zinc/73/68/20/1432736820.db2.gz WTVPHPMYDFJALP-GCJKJVERSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000191840343 1432737447 /nfs/dbraw/zinc/73/74/47/1432737447.db2.gz ZTJNVNIYAMJYQO-RXVVDRJESA-N 2 2 382.504 3.400 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000191840343 1432737450 /nfs/dbraw/zinc/73/74/50/1432737450.db2.gz ZTJNVNIYAMJYQO-RXVVDRJESA-N 2 2 382.504 3.400 20 0 GGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCC(C(=O)NCCCOC(C)C)CC1 ZINC000191938627 1432761134 /nfs/dbraw/zinc/76/11/34/1432761134.db2.gz TULJUELYMQFMFD-UHFFFAOYSA-N 2 2 398.551 3.324 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000191976109 1432772786 /nfs/dbraw/zinc/77/27/86/1432772786.db2.gz TVJWBEVYAIDVAY-CALCHBBNSA-N 2 2 383.939 3.348 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2ccc(Cl)c(F)c2)CC1 ZINC000191976109 1432772791 /nfs/dbraw/zinc/77/27/91/1432772791.db2.gz TVJWBEVYAIDVAY-CALCHBBNSA-N 2 2 383.939 3.348 20 0 GGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[NH+]1CCN(c2nccc(C(C)C)n2)CC1 ZINC000192191316 1432813977 /nfs/dbraw/zinc/81/39/77/1432813977.db2.gz BNULKRPWHXESOK-UHFFFAOYSA-N 2 2 376.508 3.416 20 0 GGADLP OC[C@@H]1CCCCN1c1cc(NCC2CC[NH+](Cc3ccccc3)CC2)nc[nH+]1 ZINC000192285614 1432827425 /nfs/dbraw/zinc/82/74/25/1432827425.db2.gz XGBQSWYURXCZQT-NRFANRHFSA-N 2 2 395.551 3.152 20 0 GGADLP OC[C@@H]1CCCCN1c1cc(NCC2CC[NH+](Cc3ccccc3)CC2)[nH+]cn1 ZINC000192285614 1432827427 /nfs/dbraw/zinc/82/74/27/1432827427.db2.gz XGBQSWYURXCZQT-NRFANRHFSA-N 2 2 395.551 3.152 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000192344341 1432834464 /nfs/dbraw/zinc/83/44/64/1432834464.db2.gz YPTNKWAOVPBPNM-GHTZIAJQSA-N 2 2 377.577 3.378 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000192347045 1432834682 /nfs/dbraw/zinc/83/46/82/1432834682.db2.gz OJGXBPLEGLITKA-SFHVURJKSA-N 2 2 377.577 3.378 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000192347045 1432834686 /nfs/dbraw/zinc/83/46/86/1432834686.db2.gz OJGXBPLEGLITKA-SFHVURJKSA-N 2 2 377.577 3.378 20 0 GGADLP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192354505 1432835914 /nfs/dbraw/zinc/83/59/14/1432835914.db2.gz AATJAADWYJISLK-QFIPXVFZSA-N 2 2 380.536 3.063 20 0 GGADLP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192354505 1432835915 /nfs/dbraw/zinc/83/59/15/1432835915.db2.gz AATJAADWYJISLK-QFIPXVFZSA-N 2 2 380.536 3.063 20 0 GGADLP COCCOc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358039 1432836604 /nfs/dbraw/zinc/83/66/04/1432836604.db2.gz NZAVTADUIGMLQD-HSZRJFAPSA-N 2 2 384.520 3.093 20 0 GGADLP COCCOc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cc1 ZINC000192358039 1432836606 /nfs/dbraw/zinc/83/66/06/1432836606.db2.gz NZAVTADUIGMLQD-HSZRJFAPSA-N 2 2 384.520 3.093 20 0 GGADLP C[C@@H](Oc1cccc2ccccc21)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000192469315 1432848490 /nfs/dbraw/zinc/84/84/90/1432848490.db2.gz HJHFHSAJEBHCCM-GOSISDBHSA-N 2 2 395.547 3.282 20 0 GGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccnn1C ZINC000192655917 1432872127 /nfs/dbraw/zinc/87/21/27/1432872127.db2.gz KDPYYGGXWUJDRN-MRXNPFEDSA-N 2 2 395.473 3.302 20 0 GGADLP COc1cc(SC)ccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000192684876 1432875166 /nfs/dbraw/zinc/87/51/66/1432875166.db2.gz UYVQPTAJGGFMLW-UHFFFAOYSA-N 2 2 392.569 3.097 20 0 GGADLP C[NH+]1CCC(CNc2nc(NCC3CC[NH+](C)CC3)c3ccccc3[nH+]2)CC1 ZINC000192714104 1432878961 /nfs/dbraw/zinc/87/89/61/1432878961.db2.gz AKWPSUPYEKILHX-UHFFFAOYSA-N 3 2 382.556 3.137 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192730366 1432881472 /nfs/dbraw/zinc/88/14/72/1432881472.db2.gz CYNVEJNBYNMYAJ-CVEARBPZSA-N 2 2 387.503 3.183 20 0 GGADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000192735066 1432882055 /nfs/dbraw/zinc/88/20/55/1432882055.db2.gz ATGLEDGTOIRVRM-UHFFFAOYSA-N 2 2 393.535 3.277 20 0 GGADLP c1ccc2c(c1)NCCC[C@H]2[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000192738666 1432882602 /nfs/dbraw/zinc/88/26/02/1432882602.db2.gz LKYTYRVXSLJULY-HSZRJFAPSA-N 2 2 381.520 3.434 20 0 GGADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000192768459 1432887698 /nfs/dbraw/zinc/88/76/98/1432887698.db2.gz JGXKPFWIEQFPCK-IBGZPJMESA-N 2 2 377.532 3.095 20 0 GGADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000192768459 1432887700 /nfs/dbraw/zinc/88/77/00/1432887700.db2.gz JGXKPFWIEQFPCK-IBGZPJMESA-N 2 2 377.532 3.095 20 0 GGADLP CC[NH+](CC)CCCC1CC[NH+](CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000192775539 1432888735 /nfs/dbraw/zinc/88/87/35/1432888735.db2.gz OUXWVTHFKMFVEC-UHFFFAOYSA-N 2 2 384.561 3.433 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000192946829 1432911696 /nfs/dbraw/zinc/91/16/96/1432911696.db2.gz ZSKNTZBBOWIOGX-KDURUIRLSA-N 2 2 388.556 3.293 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000192946829 1432911698 /nfs/dbraw/zinc/91/16/98/1432911698.db2.gz ZSKNTZBBOWIOGX-KDURUIRLSA-N 2 2 388.556 3.293 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000192999606 1432919920 /nfs/dbraw/zinc/91/99/20/1432919920.db2.gz ZBACUJVXBSAUHP-IAGOWNOFSA-N 2 2 378.904 3.138 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccccc1Cl ZINC000192999568 1432919948 /nfs/dbraw/zinc/91/99/48/1432919948.db2.gz ZBACUJVXBSAUHP-IRXDYDNUSA-N 2 2 378.904 3.138 20 0 GGADLP Cn1c[nH+]cc1CCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCCC2)cc1 ZINC000193111164 1432937699 /nfs/dbraw/zinc/93/76/99/1432937699.db2.gz ZJXUDWASUCUIMS-UHFFFAOYSA-N 2 2 397.523 3.196 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000193622403 1433030345 /nfs/dbraw/zinc/03/03/45/1433030345.db2.gz MMEFUOXATQGOSN-FKANHJMESA-N 2 2 375.601 3.467 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000193622403 1433030347 /nfs/dbraw/zinc/03/03/47/1433030347.db2.gz MMEFUOXATQGOSN-FKANHJMESA-N 2 2 375.601 3.467 20 0 GGADLP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)CC1 ZINC000193853790 1433073736 /nfs/dbraw/zinc/07/37/36/1433073736.db2.gz TYHWHGQRKNVJDX-JXMROGBWSA-N 2 2 384.568 3.290 20 0 GGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000193981595 1433095887 /nfs/dbraw/zinc/09/58/87/1433095887.db2.gz FUDVQJLULICTRO-XPWALMASSA-N 2 2 383.580 3.132 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000194038936 1433105419 /nfs/dbraw/zinc/10/54/19/1433105419.db2.gz GKSJAGLVXLEYAO-LJQANCHMSA-N 2 2 382.508 3.153 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](c3cccc(F)c3)[NH+](C)C)CC2)[nH+]c1 ZINC000194053874 1433108576 /nfs/dbraw/zinc/10/85/76/1433108576.db2.gz PADDNJBHXSJEMS-FQEVSTJZSA-N 2 2 384.499 3.165 20 0 GGADLP COc1cccc([C@H](CNC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)[NH+](C)C)c1 ZINC000194054025 1433108607 /nfs/dbraw/zinc/10/86/07/1433108607.db2.gz LQCWCUSPIJZWGG-NRFANRHFSA-N 2 2 396.535 3.034 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000194081016 1433113669 /nfs/dbraw/zinc/11/36/69/1433113669.db2.gz AAERWMNOSFBQBZ-UHFFFAOYSA-N 2 2 392.547 3.387 20 0 GGADLP C[C@@H](CC[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000194387734 1433170523 /nfs/dbraw/zinc/17/05/23/1433170523.db2.gz HIIGPZNNXBFAAC-FPOVZHCZSA-N 2 2 395.551 3.065 20 0 GGADLP OC(C[NH+]1CCC(OC2CCCC2)CC1)C[NH+]1CCC(OC2CCCC2)CC1 ZINC000194457457 1433181434 /nfs/dbraw/zinc/18/14/34/1433181434.db2.gz LJHYVSOFRLCPNG-UHFFFAOYSA-N 2 2 394.600 3.195 20 0 GGADLP O=C(N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH+](C2CC2)CC1 ZINC000194596273 1433203292 /nfs/dbraw/zinc/20/32/92/1433203292.db2.gz KNOBPRWNEYSWRX-GOSISDBHSA-N 2 2 393.934 3.434 20 0 GGADLP O=C(N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH+](C2CC2)CC1 ZINC000194596273 1433203295 /nfs/dbraw/zinc/20/32/95/1433203295.db2.gz KNOBPRWNEYSWRX-GOSISDBHSA-N 2 2 393.934 3.434 20 0 GGADLP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)CC2)cs1 ZINC000195032818 1433283344 /nfs/dbraw/zinc/28/33/44/1433283344.db2.gz LWGKRTSBFGFKEK-HXUWFJFHSA-N 2 2 396.564 3.415 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](CC(C)C)CC3)c2C1 ZINC000195062795 1433287312 /nfs/dbraw/zinc/28/73/12/1433287312.db2.gz CKKBJOQBQRHNTB-UHFFFAOYSA-N 2 2 394.563 3.463 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](CC(C)C)CC3)c2C1 ZINC000195062795 1433287313 /nfs/dbraw/zinc/28/73/13/1433287313.db2.gz CKKBJOQBQRHNTB-UHFFFAOYSA-N 2 2 394.563 3.463 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)c1ccco1 ZINC000195073273 1433288776 /nfs/dbraw/zinc/28/87/76/1433288776.db2.gz NBWVTNXWPXNTCH-LJQANCHMSA-N 2 2 384.524 3.399 20 0 GGADLP CSC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000195115438 1433294280 /nfs/dbraw/zinc/29/42/80/1433294280.db2.gz IMXHRBHFYUXRMO-MOPGFXCFSA-N 2 2 396.645 3.251 20 0 GGADLP CSC1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000195115438 1433294283 /nfs/dbraw/zinc/29/42/83/1433294283.db2.gz IMXHRBHFYUXRMO-MOPGFXCFSA-N 2 2 396.645 3.251 20 0 GGADLP CSC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000195115453 1433294341 /nfs/dbraw/zinc/29/43/41/1433294341.db2.gz IMXHRBHFYUXRMO-OALUTQOASA-N 2 2 396.645 3.251 20 0 GGADLP CSC1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000195115453 1433294343 /nfs/dbraw/zinc/29/43/43/1433294343.db2.gz IMXHRBHFYUXRMO-OALUTQOASA-N 2 2 396.645 3.251 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N3CC[NH+](CC4CCCCC4)CC3)CC2)[nH+]c1 ZINC000195185968 1433304563 /nfs/dbraw/zinc/30/45/63/1433304563.db2.gz BDOVXDLUZKCIKB-UHFFFAOYSA-N 2 2 384.568 3.331 20 0 GGADLP Cc1nc(-c2ccccc2)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000195205770 1433307119 /nfs/dbraw/zinc/30/71/19/1433307119.db2.gz NEWRZFFZVGDPBY-UHFFFAOYSA-N 2 2 398.576 3.407 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3nc4c(s3)CCCCC4)CC2)CC1 ZINC000195269689 1433313988 /nfs/dbraw/zinc/31/39/88/1433313988.db2.gz ADXYKPBXNTYJQD-UHFFFAOYSA-N 2 2 391.585 3.092 20 0 GGADLP CC(C)OCc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000195343875 1433321129 /nfs/dbraw/zinc/32/11/29/1433321129.db2.gz APNIQQDUXCOBPD-UHFFFAOYSA-N 2 2 388.556 3.292 20 0 GGADLP Cc1cc(N2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)nc(C(C)C)[nH+]1 ZINC000236883974 1433381909 /nfs/dbraw/zinc/38/19/09/1433381909.db2.gz YSKKGWVOXDOLPB-IBGZPJMESA-N 2 2 381.524 3.037 20 0 GGADLP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000236923332 1433383189 /nfs/dbraw/zinc/38/31/89/1433383189.db2.gz DTVCOZAHSREGST-WMZHIEFXSA-N 2 2 394.563 3.316 20 0 GGADLP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000237024832 1433386378 /nfs/dbraw/zinc/38/63/78/1433386378.db2.gz DTVCOZAHSREGST-AUSIDOKSSA-N 2 2 394.563 3.316 20 0 GGADLP CCn1nc(C)c(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c1C ZINC000237031717 1433386503 /nfs/dbraw/zinc/38/65/03/1433386503.db2.gz HSPBKTHSUBVARN-UHFFFAOYSA-N 2 2 389.975 3.475 20 0 GGADLP COc1cc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1OCC(F)(F)F ZINC000237157300 1433390892 /nfs/dbraw/zinc/39/08/92/1433390892.db2.gz VLQXQFSOQKZFKA-GJZGRUSLSA-N 2 2 390.446 3.225 20 0 GGADLP C[NH+]1CCN(CCC[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000237209289 1433392845 /nfs/dbraw/zinc/39/28/45/1433392845.db2.gz MUGHDDJJHCMCSC-UHFFFAOYSA-N 2 2 394.972 3.103 20 0 GGADLP COc1ccc(C[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1O ZINC000237379390 1433399870 /nfs/dbraw/zinc/39/98/70/1433399870.db2.gz YIQULNRAHBJCFO-UHFFFAOYSA-N 2 2 389.927 3.356 20 0 GGADLP C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000237513204 1433407326 /nfs/dbraw/zinc/40/73/26/1433407326.db2.gz RSHCPIKLPABYPP-FQEVSTJZSA-N 2 2 375.520 3.173 20 0 GGADLP C[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)N1CCN(c2ccccc2)CC1 ZINC000237582101 1433410645 /nfs/dbraw/zinc/41/06/45/1433410645.db2.gz SGYVZZQTHKANGY-HXUWFJFHSA-N 2 2 375.520 3.173 20 0 GGADLP O=C([C@H]1CCC[NH2+]1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000237665470 1433415787 /nfs/dbraw/zinc/41/57/87/1433415787.db2.gz QFOLTQPYSVOTKC-GOSISDBHSA-N 2 2 389.952 3.465 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000237770240 1433422842 /nfs/dbraw/zinc/42/28/42/1433422842.db2.gz NWLJJAOZVLPMQE-UHFFFAOYSA-N 2 2 393.413 3.204 20 0 GGADLP [NH3+][C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000237823047 1433426207 /nfs/dbraw/zinc/42/62/07/1433426207.db2.gz PPFBDFWNFUAWRN-IEBWSBKVSA-N 2 2 375.875 3.432 20 0 GGADLP [NH3+]C[C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000237822329 1433426314 /nfs/dbraw/zinc/42/63/14/1433426314.db2.gz KYNCPKPMYPHZTA-LPHOPBHVSA-N 2 2 389.902 3.475 20 0 GGADLP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237828141 1433426930 /nfs/dbraw/zinc/42/69/30/1433426930.db2.gz ISPXYOVOSOHAFT-NHCUHLMSSA-N 2 2 383.923 3.308 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000237830172 1433426934 /nfs/dbraw/zinc/42/69/34/1433426934.db2.gz ONKLHLWTWWNGSB-SFHVURJKSA-N 2 2 392.528 3.210 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000237830172 1433426935 /nfs/dbraw/zinc/42/69/35/1433426935.db2.gz ONKLHLWTWWNGSB-SFHVURJKSA-N 2 2 392.528 3.210 20 0 GGADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237832050 1433427492 /nfs/dbraw/zinc/42/74/92/1433427492.db2.gz ISPXYOVOSOHAFT-RTWAWAEBSA-N 2 2 383.923 3.308 20 0 GGADLP Cc1cccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000237869890 1433430344 /nfs/dbraw/zinc/43/03/44/1433430344.db2.gz NNFUEPOACCTYTG-HSZRJFAPSA-N 2 2 376.504 3.344 20 0 GGADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000237918043 1433434307 /nfs/dbraw/zinc/43/43/07/1433434307.db2.gz LEMQXYDFHGPSIH-INIZCTEOSA-N 2 2 382.533 3.030 20 0 GGADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000237918043 1433434310 /nfs/dbraw/zinc/43/43/10/1433434310.db2.gz LEMQXYDFHGPSIH-INIZCTEOSA-N 2 2 382.533 3.030 20 0 GGADLP O=C(Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)[C@H]1CC12CC[NH2+]CC2 ZINC000237918376 1433434375 /nfs/dbraw/zinc/43/43/75/1433434375.db2.gz LEMQXYDFHGPSIH-MRXNPFEDSA-N 2 2 382.533 3.030 20 0 GGADLP O=C(Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)[C@H]1CC12CC[NH2+]CC2 ZINC000237918376 1433434378 /nfs/dbraw/zinc/43/43/78/1433434378.db2.gz LEMQXYDFHGPSIH-MRXNPFEDSA-N 2 2 382.533 3.030 20 0 GGADLP C[C@H](CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000245425265 1433465233 /nfs/dbraw/zinc/46/52/33/1433465233.db2.gz TUEBIUPGPZBCMP-UYAOXDASSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@H](CCNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000245425265 1433465236 /nfs/dbraw/zinc/46/52/36/1433465236.db2.gz TUEBIUPGPZBCMP-UYAOXDASSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@H](CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000245425265 1433465242 /nfs/dbraw/zinc/46/52/42/1433465242.db2.gz TUEBIUPGPZBCMP-UYAOXDASSA-N 2 2 383.540 3.008 20 0 GGADLP C[C@H](CCNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000245425265 1433465247 /nfs/dbraw/zinc/46/52/47/1433465247.db2.gz TUEBIUPGPZBCMP-UYAOXDASSA-N 2 2 383.540 3.008 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccc(C[NH+]3CC[C@@H](C[N@@H+](C)CC)C3)cc2)C1 ZINC000245441429 1433468208 /nfs/dbraw/zinc/46/82/08/1433468208.db2.gz HJADEWMYNFNGKX-ZEQRLZLVSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccc(C[NH+]3CC[C@@H](C[N@H+](C)CC)C3)cc2)C1 ZINC000245441429 1433468210 /nfs/dbraw/zinc/46/82/10/1433468210.db2.gz HJADEWMYNFNGKX-ZEQRLZLVSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@@H](C[NH+](C)CC)C3)cc2)C1 ZINC000245441429 1433468213 /nfs/dbraw/zinc/46/82/13/1433468213.db2.gz HJADEWMYNFNGKX-ZEQRLZLVSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)CC)C3)cc2)C1 ZINC000245441429 1433468215 /nfs/dbraw/zinc/46/82/15/1433468215.db2.gz HJADEWMYNFNGKX-ZEQRLZLVSA-N 4 2 386.628 3.234 20 0 GGADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245442098 1433468648 /nfs/dbraw/zinc/46/86/48/1433468648.db2.gz HTVPDXUYIGKCLB-DENIHFKCSA-N 2 2 397.538 3.327 20 0 GGADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245442098 1433468651 /nfs/dbraw/zinc/46/86/51/1433468651.db2.gz HTVPDXUYIGKCLB-DENIHFKCSA-N 2 2 397.538 3.327 20 0 GGADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245442098 1433468655 /nfs/dbraw/zinc/46/86/55/1433468655.db2.gz HTVPDXUYIGKCLB-DENIHFKCSA-N 2 2 397.538 3.327 20 0 GGADLP C[C@H](C(=O)NCCc1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245442098 1433468658 /nfs/dbraw/zinc/46/86/58/1433468658.db2.gz HTVPDXUYIGKCLB-DENIHFKCSA-N 2 2 397.538 3.327 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)c2ccccn2)CC1 ZINC000245514222 1433480042 /nfs/dbraw/zinc/48/00/42/1433480042.db2.gz FIBNANADXMZWPY-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)c2ccccn2)CC1 ZINC000245514222 1433480043 /nfs/dbraw/zinc/48/00/43/1433480043.db2.gz FIBNANADXMZWPY-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2ccccn2)CC1 ZINC000245514222 1433480044 /nfs/dbraw/zinc/48/00/44/1433480044.db2.gz FIBNANADXMZWPY-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)c2ccccn2)CC1 ZINC000245514222 1433480045 /nfs/dbraw/zinc/48/00/45/1433480045.db2.gz FIBNANADXMZWPY-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000245517411 1433480423 /nfs/dbraw/zinc/48/04/23/1433480423.db2.gz AACLVEZKHAYHGR-FPOVZHCZSA-N 2 2 399.583 3.346 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000245517411 1433480424 /nfs/dbraw/zinc/48/04/24/1433480424.db2.gz AACLVEZKHAYHGR-FPOVZHCZSA-N 2 2 399.583 3.346 20 0 GGADLP COc1cccc([C@H]2[C@H](NC(=O)C[NH+](C)Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000245535119 1433481779 /nfs/dbraw/zinc/48/17/79/1433481779.db2.gz FHBFBMBWQLSMOU-VWNXMTODSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@H]2[C@H](NC(=O)C[NH+](C)Cc3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000245535119 1433481782 /nfs/dbraw/zinc/48/17/82/1433481782.db2.gz FHBFBMBWQLSMOU-VWNXMTODSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@H]2[C@H](NC(=O)C[N@H+](C)Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000245535119 1433481785 /nfs/dbraw/zinc/48/17/85/1433481785.db2.gz FHBFBMBWQLSMOU-VWNXMTODSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@H]2[C@H](NC(=O)C[N@@H+](C)Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000245535119 1433481788 /nfs/dbraw/zinc/48/17/88/1433481788.db2.gz FHBFBMBWQLSMOU-VWNXMTODSA-N 2 2 393.531 3.221 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1C ZINC000245552920 1433484478 /nfs/dbraw/zinc/48/44/78/1433484478.db2.gz DTWUNWWEYRUPTN-YLJYHZDGSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1C ZINC000245552920 1433484479 /nfs/dbraw/zinc/48/44/79/1433484479.db2.gz DTWUNWWEYRUPTN-YLJYHZDGSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000245552920 1433484480 /nfs/dbraw/zinc/48/44/80/1433484480.db2.gz DTWUNWWEYRUPTN-YLJYHZDGSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000245552920 1433484481 /nfs/dbraw/zinc/48/44/81/1433484481.db2.gz DTWUNWWEYRUPTN-YLJYHZDGSA-N 2 2 390.572 3.149 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000245559800 1433485086 /nfs/dbraw/zinc/48/50/86/1433485086.db2.gz MIOXADDNIBJDKB-DUXKGJEZSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000245559800 1433485088 /nfs/dbraw/zinc/48/50/88/1433485088.db2.gz MIOXADDNIBJDKB-DUXKGJEZSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000245559800 1433485090 /nfs/dbraw/zinc/48/50/90/1433485090.db2.gz MIOXADDNIBJDKB-DUXKGJEZSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000245559800 1433485091 /nfs/dbraw/zinc/48/50/91/1433485091.db2.gz MIOXADDNIBJDKB-DUXKGJEZSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[NH+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245559800 1433485093 /nfs/dbraw/zinc/48/50/93/1433485093.db2.gz MIOXADDNIBJDKB-DUXKGJEZSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[NH+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245559800 1433485095 /nfs/dbraw/zinc/48/50/95/1433485095.db2.gz MIOXADDNIBJDKB-DUXKGJEZSA-N 2 2 379.976 3.422 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245572603 1433486859 /nfs/dbraw/zinc/48/68/59/1433486859.db2.gz CNPYFFZJRFUDSW-AHRSYUTCSA-N 2 2 388.556 3.185 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245572603 1433486860 /nfs/dbraw/zinc/48/68/60/1433486860.db2.gz CNPYFFZJRFUDSW-AHRSYUTCSA-N 2 2 388.556 3.185 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245572609 1433486862 /nfs/dbraw/zinc/48/68/62/1433486862.db2.gz CNPYFFZJRFUDSW-LSTHTHJFSA-N 2 2 388.556 3.185 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H](NC(=O)OC(C)(C)C)C1CC1 ZINC000245572609 1433486863 /nfs/dbraw/zinc/48/68/63/1433486863.db2.gz CNPYFFZJRFUDSW-LSTHTHJFSA-N 2 2 388.556 3.185 20 0 GGADLP CN(C(=O)CSCC(F)(F)F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245578792 1433487423 /nfs/dbraw/zinc/48/74/23/1433487423.db2.gz HNGUGXVXQFDTQH-HZPDHXFCSA-N 2 2 395.535 3.078 20 0 GGADLP CN(C(=O)CSCC(F)(F)F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245578792 1433487426 /nfs/dbraw/zinc/48/74/26/1433487426.db2.gz HNGUGXVXQFDTQH-HZPDHXFCSA-N 2 2 395.535 3.078 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000245582486 1433487737 /nfs/dbraw/zinc/48/77/37/1433487737.db2.gz IAUHLCPOWWTRMT-JSNMRZPZSA-N 2 2 377.891 3.408 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000245582486 1433487739 /nfs/dbraw/zinc/48/77/39/1433487739.db2.gz IAUHLCPOWWTRMT-JSNMRZPZSA-N 2 2 377.891 3.408 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245600624 1433489741 /nfs/dbraw/zinc/48/97/41/1433489741.db2.gz MIETWTNQLDUGIK-BVGQSLNGSA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000245600624 1433489742 /nfs/dbraw/zinc/48/97/42/1433489742.db2.gz MIETWTNQLDUGIK-BVGQSLNGSA-N 2 2 376.863 3.364 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000245610536 1433490764 /nfs/dbraw/zinc/49/07/64/1433490764.db2.gz SPTJPUFGAFFJON-CDNPAEQRSA-N 2 2 376.504 3.158 20 0 GGADLP CN(C(=O)c1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245619434 1433491597 /nfs/dbraw/zinc/49/15/97/1433491597.db2.gz ALBCVUBDURWLMY-WOJBJXKFSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245619434 1433491599 /nfs/dbraw/zinc/49/15/99/1433491599.db2.gz ALBCVUBDURWLMY-WOJBJXKFSA-N 2 2 379.495 3.374 20 0 GGADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000245623388 1433492157 /nfs/dbraw/zinc/49/21/57/1433492157.db2.gz BPAOAQGUOKJSIT-RBUKOAKNSA-N 2 2 390.597 3.213 20 0 GGADLP CSc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)ccn1 ZINC000245623388 1433492160 /nfs/dbraw/zinc/49/21/60/1433492160.db2.gz BPAOAQGUOKJSIT-RBUKOAKNSA-N 2 2 390.597 3.213 20 0 GGADLP CN(C(=O)CC[C@H]1CCCCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245623145 1433492235 /nfs/dbraw/zinc/49/22/35/1433492235.db2.gz BKUPHMBMBDQNQQ-NJYVYQBISA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)CC[C@H]1CCCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245623145 1433492236 /nfs/dbraw/zinc/49/22/36/1433492236.db2.gz BKUPHMBMBDQNQQ-NJYVYQBISA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245675926 1433497970 /nfs/dbraw/zinc/49/79/70/1433497970.db2.gz FZFCFTMMMGZZJW-WOJBJXKFSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245675926 1433497973 /nfs/dbraw/zinc/49/79/73/1433497973.db2.gz FZFCFTMMMGZZJW-WOJBJXKFSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)Cc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245679357 1433498428 /nfs/dbraw/zinc/49/84/28/1433498428.db2.gz GTULIIPUDLPHDH-LEWJYISDSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245679357 1433498431 /nfs/dbraw/zinc/49/84/31/1433498431.db2.gz GTULIIPUDLPHDH-LEWJYISDSA-N 2 2 375.532 3.164 20 0 GGADLP COc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245687514 1433499721 /nfs/dbraw/zinc/49/97/21/1433499721.db2.gz IVTLUAGMFJEZCC-FGZHOGPDSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000245687514 1433499722 /nfs/dbraw/zinc/49/97/22/1433499722.db2.gz IVTLUAGMFJEZCC-FGZHOGPDSA-N 2 2 387.568 3.033 20 0 GGADLP C[C@H](Oc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245702378 1433502611 /nfs/dbraw/zinc/50/26/11/1433502611.db2.gz LOXQYFNIUOOLTE-BWAGFHJFSA-N 2 2 387.568 3.250 20 0 GGADLP C[C@H](Oc1ccccc1)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245702378 1433502614 /nfs/dbraw/zinc/50/26/14/1433502614.db2.gz LOXQYFNIUOOLTE-BWAGFHJFSA-N 2 2 387.568 3.250 20 0 GGADLP COc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245732135 1433507456 /nfs/dbraw/zinc/50/74/56/1433507456.db2.gz SCZPRFZBBJWREK-LEWJYISDSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245732135 1433507460 /nfs/dbraw/zinc/50/74/60/1433507460.db2.gz SCZPRFZBBJWREK-LEWJYISDSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245732137 1433507515 /nfs/dbraw/zinc/50/75/15/1433507515.db2.gz SCZPRFZBBJWREK-NHCUHLMSSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccccc1CC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245732137 1433507519 /nfs/dbraw/zinc/50/75/19/1433507519.db2.gz SCZPRFZBBJWREK-NHCUHLMSSA-N 2 2 387.568 3.033 20 0 GGADLP C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(OC)c1 ZINC000245747648 1433510923 /nfs/dbraw/zinc/51/09/23/1433510923.db2.gz AMAQSEZPWWXWGI-KGETVQGISA-N 2 2 399.535 3.156 20 0 GGADLP C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(OC)c1 ZINC000245747648 1433510927 /nfs/dbraw/zinc/51/09/27/1433510927.db2.gz AMAQSEZPWWXWGI-KGETVQGISA-N 2 2 399.535 3.156 20 0 GGADLP CN(C(=O)c1cc(Cl)ccn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245748854 1433511010 /nfs/dbraw/zinc/51/10/10/1433511010.db2.gz XAWOYCUYUAWITJ-RTBURBONSA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1cc(Cl)ccn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245748854 1433511013 /nfs/dbraw/zinc/51/10/13/1433511013.db2.gz XAWOYCUYUAWITJ-RTBURBONSA-N 2 2 378.948 3.144 20 0 GGADLP CC(C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000245984665 1433553639 /nfs/dbraw/zinc/55/36/39/1433553639.db2.gz VZYHKCUXKQSQFH-HTAPYJJXSA-N 2 2 386.515 3.327 20 0 GGADLP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000245984665 1433553645 /nfs/dbraw/zinc/55/36/45/1433553645.db2.gz VZYHKCUXKQSQFH-HTAPYJJXSA-N 2 2 386.515 3.327 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245991470 1433554900 /nfs/dbraw/zinc/55/49/00/1433554900.db2.gz WXDQDWQIKNPWJO-GOEBONIOSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245991470 1433554901 /nfs/dbraw/zinc/55/49/01/1433554901.db2.gz WXDQDWQIKNPWJO-GOEBONIOSA-N 2 2 398.334 3.421 20 0 GGADLP CN(C(=O)NC[C@@H]1CC=CCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246046072 1433561406 /nfs/dbraw/zinc/56/14/06/1433561406.db2.gz AQWDQCWVEMOAPM-NRSPTQNISA-N 2 2 376.589 3.321 20 0 GGADLP CN(C(=O)NC[C@@H]1CC=CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246046072 1433561410 /nfs/dbraw/zinc/56/14/10/1433561410.db2.gz AQWDQCWVEMOAPM-NRSPTQNISA-N 2 2 376.589 3.321 20 0 GGADLP O=C(COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1CC1 ZINC000246118537 1433571362 /nfs/dbraw/zinc/57/13/62/1433571362.db2.gz KEDLOGKCHVPUOL-UGKGYDQZSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1CC1 ZINC000246118537 1433571363 /nfs/dbraw/zinc/57/13/63/1433571363.db2.gz KEDLOGKCHVPUOL-UGKGYDQZSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCC1CC1 ZINC000246118537 1433571364 /nfs/dbraw/zinc/57/13/64/1433571364.db2.gz KEDLOGKCHVPUOL-UGKGYDQZSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCC1CC1 ZINC000246118537 1433571365 /nfs/dbraw/zinc/57/13/65/1433571365.db2.gz KEDLOGKCHVPUOL-UGKGYDQZSA-N 2 2 397.563 3.040 20 0 GGADLP CCC[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246245039 1433585967 /nfs/dbraw/zinc/58/59/67/1433585967.db2.gz GLUKDAZBHHNPIS-SXLOBPIMSA-N 2 2 387.634 3.021 20 0 GGADLP CCC[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246245039 1433585969 /nfs/dbraw/zinc/58/59/69/1433585969.db2.gz GLUKDAZBHHNPIS-SXLOBPIMSA-N 2 2 387.634 3.021 20 0 GGADLP CCC[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246245037 1433586016 /nfs/dbraw/zinc/58/60/16/1433586016.db2.gz GLUKDAZBHHNPIS-IHPCNDPISA-N 2 2 387.634 3.021 20 0 GGADLP CCC[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246245037 1433586018 /nfs/dbraw/zinc/58/60/18/1433586018.db2.gz GLUKDAZBHHNPIS-IHPCNDPISA-N 2 2 387.634 3.021 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000246300736 1433592017 /nfs/dbraw/zinc/59/20/17/1433592017.db2.gz CZYHCHNCWVOZHI-VQIMIIECSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000246300736 1433592022 /nfs/dbraw/zinc/59/20/22/1433592022.db2.gz CZYHCHNCWVOZHI-VQIMIIECSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000246337151 1433596684 /nfs/dbraw/zinc/59/66/84/1433596684.db2.gz GNSXRHLWMBTGML-SIKLNZKXSA-N 2 2 392.547 3.251 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000246337151 1433596686 /nfs/dbraw/zinc/59/66/86/1433596686.db2.gz GNSXRHLWMBTGML-SIKLNZKXSA-N 2 2 392.547 3.251 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000246339357 1433597041 /nfs/dbraw/zinc/59/70/41/1433597041.db2.gz ISZIBFYUWFXVTQ-SJORKVTESA-N 2 2 388.943 3.434 20 0 GGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000246339357 1433597046 /nfs/dbraw/zinc/59/70/46/1433597046.db2.gz ISZIBFYUWFXVTQ-SJORKVTESA-N 2 2 388.943 3.434 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000246339357 1433597051 /nfs/dbraw/zinc/59/70/51/1433597051.db2.gz ISZIBFYUWFXVTQ-SJORKVTESA-N 2 2 388.943 3.434 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Cl)ccc3n2)C1 ZINC000246339357 1433597055 /nfs/dbraw/zinc/59/70/55/1433597055.db2.gz ISZIBFYUWFXVTQ-SJORKVTESA-N 2 2 388.943 3.434 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246415540 1433609492 /nfs/dbraw/zinc/60/94/92/1433609492.db2.gz RACHIGKUQXZCAA-RBBKRZOGSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246415540 1433609495 /nfs/dbraw/zinc/60/94/95/1433609495.db2.gz RACHIGKUQXZCAA-RBBKRZOGSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246415540 1433609497 /nfs/dbraw/zinc/60/94/97/1433609497.db2.gz RACHIGKUQXZCAA-RBBKRZOGSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246415540 1433609499 /nfs/dbraw/zinc/60/94/99/1433609499.db2.gz RACHIGKUQXZCAA-RBBKRZOGSA-N 2 2 391.559 3.414 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246435857 1433612867 /nfs/dbraw/zinc/61/28/67/1433612867.db2.gz CUMKNPDCVXZEGK-PMVMPFDFSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246435857 1433612869 /nfs/dbraw/zinc/61/28/69/1433612869.db2.gz CUMKNPDCVXZEGK-PMVMPFDFSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246435857 1433612871 /nfs/dbraw/zinc/61/28/71/1433612871.db2.gz CUMKNPDCVXZEGK-PMVMPFDFSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246435857 1433612875 /nfs/dbraw/zinc/61/28/75/1433612875.db2.gz CUMKNPDCVXZEGK-PMVMPFDFSA-N 2 2 383.580 3.491 20 0 GGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000246510812 1433623479 /nfs/dbraw/zinc/62/34/79/1433623479.db2.gz UAYUIONNTSWDAQ-ZJOUEHCJSA-N 2 2 395.551 3.064 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246528897 1433625616 /nfs/dbraw/zinc/62/56/16/1433625616.db2.gz JGIRZODATIUMOL-REWPJTCUSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246528897 1433625618 /nfs/dbraw/zinc/62/56/18/1433625618.db2.gz JGIRZODATIUMOL-REWPJTCUSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246528897 1433625623 /nfs/dbraw/zinc/62/56/23/1433625623.db2.gz JGIRZODATIUMOL-REWPJTCUSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246528897 1433625630 /nfs/dbraw/zinc/62/56/30/1433625630.db2.gz JGIRZODATIUMOL-REWPJTCUSA-N 2 2 399.579 3.430 20 0 GGADLP C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C[NH+]1CCCC1 ZINC000246529199 1433625694 /nfs/dbraw/zinc/62/56/94/1433625694.db2.gz CPAOROKUMMYSIW-DUXKGJEZSA-N 2 2 381.524 3.143 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)CC1 ZINC000246536976 1433627080 /nfs/dbraw/zinc/62/70/80/1433627080.db2.gz JMJSBIJKMNMGBY-QUCCMNQESA-N 2 2 383.540 3.126 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)CC1 ZINC000246536976 1433627083 /nfs/dbraw/zinc/62/70/83/1433627083.db2.gz JMJSBIJKMNMGBY-QUCCMNQESA-N 2 2 383.540 3.126 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246542519 1433628073 /nfs/dbraw/zinc/62/80/73/1433628073.db2.gz ATRCQXTYWWDXLM-RYRKJORJSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246542519 1433628075 /nfs/dbraw/zinc/62/80/75/1433628075.db2.gz ATRCQXTYWWDXLM-RYRKJORJSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246542519 1433628078 /nfs/dbraw/zinc/62/80/78/1433628078.db2.gz ATRCQXTYWWDXLM-RYRKJORJSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246542519 1433628080 /nfs/dbraw/zinc/62/80/80/1433628080.db2.gz ATRCQXTYWWDXLM-RYRKJORJSA-N 2 2 386.565 3.059 20 0 GGADLP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000246547630 1433629423 /nfs/dbraw/zinc/62/94/23/1433629423.db2.gz DEOSVDMEDKWEHB-DUXKGJEZSA-N 2 2 381.524 3.143 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000246547630 1433629426 /nfs/dbraw/zinc/62/94/26/1433629426.db2.gz DEOSVDMEDKWEHB-DUXKGJEZSA-N 2 2 381.524 3.143 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000246556070 1433630493 /nfs/dbraw/zinc/63/04/93/1433630493.db2.gz WWPHCPGXEMQVHU-WMZHIEFXSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCC(=O)N1Cc2ccccc2C1 ZINC000246556070 1433630495 /nfs/dbraw/zinc/63/04/95/1433630495.db2.gz WWPHCPGXEMQVHU-WMZHIEFXSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246659684 1433646221 /nfs/dbraw/zinc/64/62/21/1433646221.db2.gz DGADDGVPKHHMEK-CABCVRRESA-N 2 2 383.521 3.312 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246721211 1433655379 /nfs/dbraw/zinc/65/53/79/1433655379.db2.gz NDPCLFSXHZHKBB-WOJBJXKFSA-N 2 2 387.572 3.124 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246721211 1433655381 /nfs/dbraw/zinc/65/53/81/1433655381.db2.gz NDPCLFSXHZHKBB-WOJBJXKFSA-N 2 2 387.572 3.124 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000246813910 1433672103 /nfs/dbraw/zinc/67/21/03/1433672103.db2.gz JNUNNDBRAYFHCB-ZCNNSNEGSA-N 2 2 389.588 3.142 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000246813910 1433672104 /nfs/dbraw/zinc/67/21/04/1433672104.db2.gz JNUNNDBRAYFHCB-ZCNNSNEGSA-N 2 2 389.588 3.142 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000246812443 1433672209 /nfs/dbraw/zinc/67/22/09/1433672209.db2.gz AQKBNESDURWAEP-WMZHIEFXSA-N 2 2 375.520 3.327 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000246812443 1433672221 /nfs/dbraw/zinc/67/22/21/1433672221.db2.gz AQKBNESDURWAEP-WMZHIEFXSA-N 2 2 375.520 3.327 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000246813882 1433672453 /nfs/dbraw/zinc/67/24/53/1433672453.db2.gz JNUNNDBRAYFHCB-AQNXPRMDSA-N 2 2 389.588 3.142 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000246831914 1433675779 /nfs/dbraw/zinc/67/57/79/1433675779.db2.gz ALQUYJYZNDKIHT-AHRSYUTCSA-N 2 2 393.453 3.332 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000246831914 1433675783 /nfs/dbraw/zinc/67/57/83/1433675783.db2.gz ALQUYJYZNDKIHT-AHRSYUTCSA-N 2 2 393.453 3.332 20 0 GGADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246832426 1433675945 /nfs/dbraw/zinc/67/59/45/1433675945.db2.gz OENQMJRZBRNTRW-SIKLNZKXSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246832426 1433675953 /nfs/dbraw/zinc/67/59/53/1433675953.db2.gz OENQMJRZBRNTRW-SIKLNZKXSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246832426 1433675960 /nfs/dbraw/zinc/67/59/60/1433675960.db2.gz OENQMJRZBRNTRW-SIKLNZKXSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246832426 1433675964 /nfs/dbraw/zinc/67/59/64/1433675964.db2.gz OENQMJRZBRNTRW-SIKLNZKXSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246832445 1433676015 /nfs/dbraw/zinc/67/60/15/1433676015.db2.gz OENQMJRZBRNTRW-UGKGYDQZSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000246832445 1433676016 /nfs/dbraw/zinc/67/60/16/1433676016.db2.gz OENQMJRZBRNTRW-UGKGYDQZSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000246832445 1433676017 /nfs/dbraw/zinc/67/60/17/1433676017.db2.gz OENQMJRZBRNTRW-UGKGYDQZSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000246832445 1433676018 /nfs/dbraw/zinc/67/60/18/1433676018.db2.gz OENQMJRZBRNTRW-UGKGYDQZSA-N 2 2 385.552 3.040 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000246859564 1433679278 /nfs/dbraw/zinc/67/92/78/1433679278.db2.gz CYKNFJCVOMHSBZ-MAUKXSAKSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000246859564 1433679282 /nfs/dbraw/zinc/67/92/82/1433679282.db2.gz CYKNFJCVOMHSBZ-MAUKXSAKSA-N 2 2 394.441 3.418 20 0 GGADLP O=C(COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCC1 ZINC000246883313 1433682334 /nfs/dbraw/zinc/68/23/34/1433682334.db2.gz TUYVMWLAWLTZBF-UGKGYDQZSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCC1 ZINC000246883313 1433682338 /nfs/dbraw/zinc/68/23/38/1433682338.db2.gz TUYVMWLAWLTZBF-UGKGYDQZSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCC1 ZINC000246883313 1433682339 /nfs/dbraw/zinc/68/23/39/1433682339.db2.gz TUYVMWLAWLTZBF-UGKGYDQZSA-N 2 2 397.563 3.137 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCC1 ZINC000246883313 1433682340 /nfs/dbraw/zinc/68/23/40/1433682340.db2.gz TUYVMWLAWLTZBF-UGKGYDQZSA-N 2 2 397.563 3.137 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246882195 1433682349 /nfs/dbraw/zinc/68/23/49/1433682349.db2.gz QPBTUCJGAZVTNJ-GMAHTHKFSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246882195 1433682350 /nfs/dbraw/zinc/68/23/50/1433682350.db2.gz QPBTUCJGAZVTNJ-GMAHTHKFSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246882195 1433682351 /nfs/dbraw/zinc/68/23/51/1433682351.db2.gz QPBTUCJGAZVTNJ-GMAHTHKFSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246882195 1433682352 /nfs/dbraw/zinc/68/23/52/1433682352.db2.gz QPBTUCJGAZVTNJ-GMAHTHKFSA-N 2 2 383.580 3.417 20 0 GGADLP CCN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246913815 1433686487 /nfs/dbraw/zinc/68/64/87/1433686487.db2.gz GATLTDZCWCFWCI-IEBWSBKVSA-N 2 2 376.545 3.139 20 0 GGADLP CCN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246913815 1433686489 /nfs/dbraw/zinc/68/64/89/1433686489.db2.gz GATLTDZCWCFWCI-IEBWSBKVSA-N 2 2 376.545 3.139 20 0 GGADLP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000246913274 1433686562 /nfs/dbraw/zinc/68/65/62/1433686562.db2.gz FYEDFZWJTBOZCI-DBXWQHBBSA-N 2 2 384.593 3.390 20 0 GGADLP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000246913274 1433686566 /nfs/dbraw/zinc/68/65/66/1433686566.db2.gz FYEDFZWJTBOZCI-DBXWQHBBSA-N 2 2 384.593 3.390 20 0 GGADLP C[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000246913293 1433686643 /nfs/dbraw/zinc/68/66/43/1433686643.db2.gz FYEDFZWJTBOZCI-LVCYWYKZSA-N 2 2 384.593 3.390 20 0 GGADLP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)N1CCc2sccc2C1 ZINC000246913293 1433686645 /nfs/dbraw/zinc/68/66/45/1433686645.db2.gz FYEDFZWJTBOZCI-LVCYWYKZSA-N 2 2 384.593 3.390 20 0 GGADLP CN(C(=O)NCc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246915680 1433686831 /nfs/dbraw/zinc/68/68/31/1433686831.db2.gz RSTWFFFTTJAWEJ-NHCUHLMSSA-N 2 2 390.547 3.304 20 0 GGADLP CN(C(=O)NCc1ccc(F)cc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246915680 1433686836 /nfs/dbraw/zinc/68/68/36/1433686836.db2.gz RSTWFFFTTJAWEJ-NHCUHLMSSA-N 2 2 390.547 3.304 20 0 GGADLP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247198826 1433689896 /nfs/dbraw/zinc/68/98/96/1433689896.db2.gz WDPSDBRGKCKFCR-GCJKJVERSA-N 2 2 380.536 3.222 20 0 GGADLP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000247198826 1433689906 /nfs/dbraw/zinc/68/99/06/1433689906.db2.gz WDPSDBRGKCKFCR-GCJKJVERSA-N 2 2 380.536 3.222 20 0 GGADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000247199977 1433690438 /nfs/dbraw/zinc/69/04/38/1433690438.db2.gz YOCFKRKGMNMSGJ-LEWJYISDSA-N 2 2 388.556 3.496 20 0 GGADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000247199977 1433690442 /nfs/dbraw/zinc/69/04/42/1433690442.db2.gz YOCFKRKGMNMSGJ-LEWJYISDSA-N 2 2 388.556 3.496 20 0 GGADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000247199990 1433690665 /nfs/dbraw/zinc/69/06/65/1433690665.db2.gz YOCFKRKGMNMSGJ-NHCUHLMSSA-N 2 2 388.556 3.496 20 0 GGADLP COc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000247199990 1433690666 /nfs/dbraw/zinc/69/06/66/1433690666.db2.gz YOCFKRKGMNMSGJ-NHCUHLMSSA-N 2 2 388.556 3.496 20 0 GGADLP CN(C(=O)NCc1ccsc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247222863 1433692640 /nfs/dbraw/zinc/69/26/40/1433692640.db2.gz ZCOMKUWSJSAOIK-RBUKOAKNSA-N 2 2 378.586 3.227 20 0 GGADLP CN(C(=O)NCc1ccsc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247222863 1433692642 /nfs/dbraw/zinc/69/26/42/1433692642.db2.gz ZCOMKUWSJSAOIK-RBUKOAKNSA-N 2 2 378.586 3.227 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000247225034 1433693284 /nfs/dbraw/zinc/69/32/84/1433693284.db2.gz XXPXONJRUUNKCO-AUSIDOKSSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000247225034 1433693286 /nfs/dbraw/zinc/69/32/86/1433693286.db2.gz XXPXONJRUUNKCO-AUSIDOKSSA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247309003 1433703482 /nfs/dbraw/zinc/70/34/82/1433703482.db2.gz FQOODPQCODTREZ-UIFIKXQLSA-N 2 2 381.524 3.285 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247310748 1433704163 /nfs/dbraw/zinc/70/41/63/1433704163.db2.gz QUAQKJDLUYZSPO-CABCVRRESA-N 2 2 390.915 3.364 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247310748 1433704166 /nfs/dbraw/zinc/70/41/66/1433704166.db2.gz QUAQKJDLUYZSPO-CABCVRRESA-N 2 2 390.915 3.364 20 0 GGADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000247420872 1433720287 /nfs/dbraw/zinc/72/02/87/1433720287.db2.gz KGDLVXJLDRDCCP-MAODMQOUSA-N 2 2 392.507 3.252 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000247461987 1433725327 /nfs/dbraw/zinc/72/53/27/1433725327.db2.gz PQIWQYYWMCKNBM-NGRWLJPCSA-N 2 2 395.551 3.339 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCCCNc1cccc[nH+]1 ZINC000247461987 1433725342 /nfs/dbraw/zinc/72/53/42/1433725342.db2.gz PQIWQYYWMCKNBM-NGRWLJPCSA-N 2 2 395.551 3.339 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000247535298 1433734085 /nfs/dbraw/zinc/73/40/85/1433734085.db2.gz POWDEXLQQLLEJA-GWKIZSTFSA-N 2 2 379.508 3.036 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000247535298 1433734091 /nfs/dbraw/zinc/73/40/91/1433734091.db2.gz POWDEXLQQLLEJA-GWKIZSTFSA-N 2 2 379.508 3.036 20 0 GGADLP C[C@H]1CC[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](c2ccco2)C1 ZINC000247547410 1433736361 /nfs/dbraw/zinc/73/63/61/1433736361.db2.gz POZZSLFMWABUAK-RBUKOAKNSA-N 2 2 382.508 3.187 20 0 GGADLP C[C@H]1CC[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@@H](c2ccco2)C1 ZINC000247547410 1433736362 /nfs/dbraw/zinc/73/63/62/1433736362.db2.gz POZZSLFMWABUAK-RBUKOAKNSA-N 2 2 382.508 3.187 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)cc2)C[C@@H](C)O1 ZINC000247618263 1433740311 /nfs/dbraw/zinc/74/03/11/1433740311.db2.gz NACVDOFLZBEKOB-JZJXAQOMSA-N 2 2 396.535 3.216 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247628133 1433741129 /nfs/dbraw/zinc/74/11/29/1433741129.db2.gz NQPAQGLQACITGS-CZUORRHYSA-N 2 2 382.386 3.303 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247628133 1433741133 /nfs/dbraw/zinc/74/11/33/1433741133.db2.gz NQPAQGLQACITGS-CZUORRHYSA-N 2 2 382.386 3.303 20 0 GGADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648631 1433742514 /nfs/dbraw/zinc/74/25/14/1433742514.db2.gz VUZTUCKBSAZLAR-QAPCUYQASA-N 2 2 396.938 3.085 20 0 GGADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648631 1433742518 /nfs/dbraw/zinc/74/25/18/1433742518.db2.gz VUZTUCKBSAZLAR-QAPCUYQASA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648631 1433742522 /nfs/dbraw/zinc/74/25/22/1433742522.db2.gz VUZTUCKBSAZLAR-QAPCUYQASA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000247648631 1433742526 /nfs/dbraw/zinc/74/25/26/1433742526.db2.gz VUZTUCKBSAZLAR-QAPCUYQASA-N 2 2 396.938 3.085 20 0 GGADLP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247657259 1433744024 /nfs/dbraw/zinc/74/40/24/1433744024.db2.gz XHQKXUZITUKYKA-DUXKGJEZSA-N 2 2 381.524 3.143 20 0 GGADLP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C1 ZINC000247657259 1433744028 /nfs/dbraw/zinc/74/40/28/1433744028.db2.gz XHQKXUZITUKYKA-DUXKGJEZSA-N 2 2 381.524 3.143 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@H]1n1cc[nH+]c1 ZINC000247669888 1433745554 /nfs/dbraw/zinc/74/55/54/1433745554.db2.gz QTGYQTQFCAWQAZ-KZNAEPCWSA-N 2 2 387.553 3.374 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000247681818 1433746219 /nfs/dbraw/zinc/74/62/19/1433746219.db2.gz RTMWISKIYADJOE-HLAWJBBLSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1n1cc[nH+]c1 ZINC000247681818 1433746223 /nfs/dbraw/zinc/74/62/23/1433746223.db2.gz RTMWISKIYADJOE-HLAWJBBLSA-N 2 2 381.524 3.140 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000247735316 1433748417 /nfs/dbraw/zinc/74/84/17/1433748417.db2.gz MRYDIFNUQIZNNE-SJLPKXTDSA-N 2 2 398.507 3.271 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247932277 1433756980 /nfs/dbraw/zinc/75/69/80/1433756980.db2.gz CDPRXTYEYURSSO-JKIFEVAISA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247932277 1433756984 /nfs/dbraw/zinc/75/69/84/1433756984.db2.gz CDPRXTYEYURSSO-JKIFEVAISA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247932277 1433756987 /nfs/dbraw/zinc/75/69/87/1433756987.db2.gz CDPRXTYEYURSSO-JKIFEVAISA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247932277 1433756989 /nfs/dbraw/zinc/75/69/89/1433756989.db2.gz CDPRXTYEYURSSO-JKIFEVAISA-N 2 2 385.430 3.328 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000247971914 1433760286 /nfs/dbraw/zinc/76/02/86/1433760286.db2.gz HLQUJZDBRNEKTF-OLMNPRSZSA-N 2 2 397.441 3.107 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000247971914 1433760287 /nfs/dbraw/zinc/76/02/87/1433760287.db2.gz HLQUJZDBRNEKTF-OLMNPRSZSA-N 2 2 397.441 3.107 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000247971914 1433760288 /nfs/dbraw/zinc/76/02/88/1433760288.db2.gz HLQUJZDBRNEKTF-OLMNPRSZSA-N 2 2 397.441 3.107 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000247971914 1433760289 /nfs/dbraw/zinc/76/02/89/1433760289.db2.gz HLQUJZDBRNEKTF-OLMNPRSZSA-N 2 2 397.441 3.107 20 0 GGADLP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1 ZINC000247974857 1433760533 /nfs/dbraw/zinc/76/05/33/1433760533.db2.gz HSGVALYDVDNMED-LAUBAEHRSA-N 2 2 399.535 3.150 20 0 GGADLP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1 ZINC000247974857 1433760537 /nfs/dbraw/zinc/76/05/37/1433760537.db2.gz HSGVALYDVDNMED-LAUBAEHRSA-N 2 2 399.535 3.150 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@@H]21 ZINC000248123549 1433771382 /nfs/dbraw/zinc/77/13/82/1433771382.db2.gz NRKOLQNYQBQTSG-MNEFBYGVSA-N 2 2 393.478 3.200 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@@H]21 ZINC000248123549 1433771388 /nfs/dbraw/zinc/77/13/88/1433771388.db2.gz NRKOLQNYQBQTSG-MNEFBYGVSA-N 2 2 393.478 3.200 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@@H]21 ZINC000248123549 1433771393 /nfs/dbraw/zinc/77/13/93/1433771393.db2.gz NRKOLQNYQBQTSG-MNEFBYGVSA-N 2 2 393.478 3.200 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCN(c4ccc(OC(F)F)cc4)C3=O)CC[C@@H]21 ZINC000248123549 1433771398 /nfs/dbraw/zinc/77/13/98/1433771398.db2.gz NRKOLQNYQBQTSG-MNEFBYGVSA-N 2 2 393.478 3.200 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000248394782 1433794689 /nfs/dbraw/zinc/79/46/89/1433794689.db2.gz FWOGTLXGQRQCHS-IEBWSBKVSA-N 2 2 376.545 3.187 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000248394782 1433794694 /nfs/dbraw/zinc/79/46/94/1433794694.db2.gz FWOGTLXGQRQCHS-IEBWSBKVSA-N 2 2 376.545 3.187 20 0 GGADLP CO[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000248415252 1433800799 /nfs/dbraw/zinc/80/07/99/1433800799.db2.gz NXUWZYHKHJITIH-VSKRKVRLSA-N 2 2 387.568 3.170 20 0 GGADLP CO[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000248415252 1433800801 /nfs/dbraw/zinc/80/08/01/1433800801.db2.gz NXUWZYHKHJITIH-VSKRKVRLSA-N 2 2 387.568 3.170 20 0 GGADLP CO[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000248415251 1433800865 /nfs/dbraw/zinc/80/08/65/1433800865.db2.gz NXUWZYHKHJITIH-FSSWDIPSSA-N 2 2 387.568 3.170 20 0 GGADLP CO[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000248415251 1433800867 /nfs/dbraw/zinc/80/08/67/1433800867.db2.gz NXUWZYHKHJITIH-FSSWDIPSSA-N 2 2 387.568 3.170 20 0 GGADLP C[C@@H](C[NH+](C)CC1(C[N@@H+](C)C[C@H](C)c2nccs2)COC1)c1nccs1 ZINC000248476452 1433805309 /nfs/dbraw/zinc/80/53/09/1433805309.db2.gz YFZLXTPWHUGVMN-HOTGVXAUSA-N 2 2 394.610 3.387 20 0 GGADLP C[C@@H](C[NH+](C)CC1(C[N@H+](C)C[C@H](C)c2nccs2)COC1)c1nccs1 ZINC000248476452 1433805312 /nfs/dbraw/zinc/80/53/12/1433805312.db2.gz YFZLXTPWHUGVMN-HOTGVXAUSA-N 2 2 394.610 3.387 20 0 GGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000248498038 1433806016 /nfs/dbraw/zinc/80/60/16/1433806016.db2.gz LZTDOQDSZLJWSW-HLAWJBBLSA-N 2 2 378.582 3.401 20 0 GGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000248498038 1433806017 /nfs/dbraw/zinc/80/60/17/1433806017.db2.gz LZTDOQDSZLJWSW-HLAWJBBLSA-N 2 2 378.582 3.401 20 0 GGADLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000248498040 1433806049 /nfs/dbraw/zinc/80/60/49/1433806049.db2.gz LZTDOQDSZLJWSW-HMXCVIKNSA-N 2 2 378.582 3.401 20 0 GGADLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2S(=O)(=O)c2ccc(C)cc2)C1 ZINC000248498040 1433806050 /nfs/dbraw/zinc/80/60/50/1433806050.db2.gz LZTDOQDSZLJWSW-HMXCVIKNSA-N 2 2 378.582 3.401 20 0 GGADLP CN(C(=O)Nc1ccncc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248708066 1433816613 /nfs/dbraw/zinc/81/66/13/1433816613.db2.gz AWKCDCSXJUYORF-RTBURBONSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccncc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248708066 1433816615 /nfs/dbraw/zinc/81/66/15/1433816615.db2.gz AWKCDCSXJUYORF-RTBURBONSA-N 2 2 377.508 3.022 20 0 GGADLP CC[C@@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@@H+]1Cc1ccccc1 ZINC000248731323 1433818337 /nfs/dbraw/zinc/81/83/37/1433818337.db2.gz MPFZLCAZDOSRFF-GHTZIAJQSA-N 2 2 383.540 3.134 20 0 GGADLP CC[C@@H]1CN(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CC[N@H+]1Cc1ccccc1 ZINC000248731323 1433818338 /nfs/dbraw/zinc/81/83/38/1433818338.db2.gz MPFZLCAZDOSRFF-GHTZIAJQSA-N 2 2 383.540 3.134 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000248764838 1433821109 /nfs/dbraw/zinc/82/11/09/1433821109.db2.gz GWAQATZFCOVWAO-YLJYHZDGSA-N 2 2 396.535 3.369 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000248764838 1433821111 /nfs/dbraw/zinc/82/11/11/1433821111.db2.gz GWAQATZFCOVWAO-YLJYHZDGSA-N 2 2 396.535 3.369 20 0 GGADLP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000249014819 1433832203 /nfs/dbraw/zinc/83/22/03/1433832203.db2.gz PJRHNZFUYSELAY-RTWAWAEBSA-N 2 2 397.567 3.254 20 0 GGADLP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000249014819 1433832204 /nfs/dbraw/zinc/83/22/04/1433832204.db2.gz PJRHNZFUYSELAY-RTWAWAEBSA-N 2 2 397.567 3.254 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192790 1433838602 /nfs/dbraw/zinc/83/86/02/1433838602.db2.gz OUQNLABJRLEYSS-FPAYPSAMSA-N 2 2 385.474 3.365 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192790 1433838603 /nfs/dbraw/zinc/83/86/03/1433838603.db2.gz OUQNLABJRLEYSS-FPAYPSAMSA-N 2 2 385.474 3.365 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000249263169 1433839838 /nfs/dbraw/zinc/83/98/38/1433839838.db2.gz ICWHCDZJCBYLMT-WMZOPIPTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000249263169 1433839839 /nfs/dbraw/zinc/83/98/39/1433839839.db2.gz ICWHCDZJCBYLMT-WMZOPIPTSA-N 2 2 381.948 3.314 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000249283191 1433840331 /nfs/dbraw/zinc/84/03/31/1433840331.db2.gz HHDLXAAYKPJPAI-RBUKOAKNSA-N 2 2 399.560 3.204 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000249283191 1433840332 /nfs/dbraw/zinc/84/03/32/1433840332.db2.gz HHDLXAAYKPJPAI-RBUKOAKNSA-N 2 2 399.560 3.204 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2SC)[C@@H](C)C1 ZINC000249289153 1433840493 /nfs/dbraw/zinc/84/04/93/1433840493.db2.gz MCWAGLMFBCLCJE-BZSNNMDCSA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2SC)[C@@H](C)C1 ZINC000249289153 1433840495 /nfs/dbraw/zinc/84/04/95/1433840495.db2.gz MCWAGLMFBCLCJE-BZSNNMDCSA-N 2 2 393.597 3.462 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCCC[C@H]2CO)[nH+]cn1)c1ccsc1 ZINC000249321139 1433841148 /nfs/dbraw/zinc/84/11/48/1433841148.db2.gz QVEBQZQYMHBKAS-ROUUACIJSA-N 2 2 389.569 3.384 20 0 GGADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000249375818 1433842042 /nfs/dbraw/zinc/84/20/42/1433842042.db2.gz JYOCYBODEPJJRB-GBESFXJTSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000249375818 1433842043 /nfs/dbraw/zinc/84/20/43/1433842043.db2.gz JYOCYBODEPJJRB-GBESFXJTSA-N 2 2 388.556 3.149 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249409440 1433843094 /nfs/dbraw/zinc/84/30/94/1433843094.db2.gz DXZNXBFOSSVHTE-FCEWJHQRSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249409440 1433843095 /nfs/dbraw/zinc/84/30/95/1433843095.db2.gz DXZNXBFOSSVHTE-FCEWJHQRSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249409435 1433843182 /nfs/dbraw/zinc/84/31/82/1433843182.db2.gz DXZNXBFOSSVHTE-BXWFABGCSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000249409435 1433843183 /nfs/dbraw/zinc/84/31/83/1433843183.db2.gz DXZNXBFOSSVHTE-BXWFABGCSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)[C@H](C)C1 ZINC000249448064 1433844124 /nfs/dbraw/zinc/84/41/24/1433844124.db2.gz NSEXBHQOOHCKOE-UYAOXDASSA-N 2 2 375.557 3.223 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2CC)[C@H](C)C1 ZINC000249448064 1433844125 /nfs/dbraw/zinc/84/41/25/1433844125.db2.gz NSEXBHQOOHCKOE-UYAOXDASSA-N 2 2 375.557 3.223 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2Cl)[C@H](C)C1 ZINC000249456226 1433844210 /nfs/dbraw/zinc/84/42/10/1433844210.db2.gz PQZKPNKLCRLEHB-NUJGCVRESA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2Cl)[C@H](C)C1 ZINC000249456226 1433844212 /nfs/dbraw/zinc/84/42/12/1433844212.db2.gz PQZKPNKLCRLEHB-NUJGCVRESA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC000249476450 1433844659 /nfs/dbraw/zinc/84/46/59/1433844659.db2.gz VTJTXSFGODXSDZ-SCTDSRPQSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC000249476450 1433844660 /nfs/dbraw/zinc/84/46/60/1433844660.db2.gz VTJTXSFGODXSDZ-SCTDSRPQSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(C)ccc2OC)[C@H](C)C1 ZINC000249495707 1433845098 /nfs/dbraw/zinc/84/50/98/1433845098.db2.gz WCVQSRZHSOPFLP-QRVBRYPASA-N 2 2 391.556 3.057 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(C)ccc2OC)[C@H](C)C1 ZINC000249495707 1433845099 /nfs/dbraw/zinc/84/50/99/1433845099.db2.gz WCVQSRZHSOPFLP-QRVBRYPASA-N 2 2 391.556 3.057 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000249497878 1433845252 /nfs/dbraw/zinc/84/52/52/1433845252.db2.gz WMHDYEGIROZQAP-GHTZIAJQSA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000249497878 1433845253 /nfs/dbraw/zinc/84/52/53/1433845253.db2.gz WMHDYEGIROZQAP-GHTZIAJQSA-N 2 2 375.557 3.475 20 0 GGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000249519863 1433846063 /nfs/dbraw/zinc/84/60/63/1433846063.db2.gz LCTAGNHSUHWAMU-QYZOEREBSA-N 2 2 388.556 3.292 20 0 GGADLP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249741545 1433850734 /nfs/dbraw/zinc/85/07/34/1433850734.db2.gz JPNAMZPVVOAQAW-GBESFXJTSA-N 2 2 388.556 3.149 20 0 GGADLP CCC[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249741545 1433850737 /nfs/dbraw/zinc/85/07/37/1433850737.db2.gz JPNAMZPVVOAQAW-GBESFXJTSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000249751868 1433851117 /nfs/dbraw/zinc/85/11/17/1433851117.db2.gz BDCIRPNXKUCYLT-OTWHNJEPSA-N 2 2 383.540 3.097 20 0 GGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000249751868 1433851118 /nfs/dbraw/zinc/85/11/18/1433851118.db2.gz BDCIRPNXKUCYLT-OTWHNJEPSA-N 2 2 383.540 3.097 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000250218576 1433855115 /nfs/dbraw/zinc/85/51/15/1433855115.db2.gz XECGGXXPBCSLKI-BFYDXBDKSA-N 2 2 376.545 3.215 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250347003 1433855932 /nfs/dbraw/zinc/85/59/32/1433855932.db2.gz ZJBKYDYVEYPEMR-RBBKRZOGSA-N 2 2 388.552 3.073 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250347003 1433855933 /nfs/dbraw/zinc/85/59/33/1433855933.db2.gz ZJBKYDYVEYPEMR-RBBKRZOGSA-N 2 2 388.552 3.073 20 0 GGADLP COc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C(C)C)cc1 ZINC000253553904 1433869199 /nfs/dbraw/zinc/86/91/99/1433869199.db2.gz AKMTYULQRPZQGN-MBSDFSHPSA-N 2 2 398.551 3.197 20 0 GGADLP COc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)C(C)C)cc1 ZINC000253553904 1433869200 /nfs/dbraw/zinc/86/92/00/1433869200.db2.gz AKMTYULQRPZQGN-MBSDFSHPSA-N 2 2 398.551 3.197 20 0 GGADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255300201 1433879616 /nfs/dbraw/zinc/87/96/16/1433879616.db2.gz ASSPIGPBMMQQIZ-LPLSSMDUSA-N 2 2 384.568 3.147 20 0 GGADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)C1 ZINC000255300201 1433879617 /nfs/dbraw/zinc/87/96/17/1433879617.db2.gz ASSPIGPBMMQQIZ-LPLSSMDUSA-N 2 2 384.568 3.147 20 0 GGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000261663007 1433898552 /nfs/dbraw/zinc/89/85/52/1433898552.db2.gz IJTAJQWTUAUTOW-GBXCKJPGSA-N 2 2 390.531 3.087 20 0 GGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000261663007 1433898553 /nfs/dbraw/zinc/89/85/53/1433898553.db2.gz IJTAJQWTUAUTOW-GBXCKJPGSA-N 2 2 390.531 3.087 20 0 GGADLP c1cc(-c2ccccc2)sc1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261811404 1433905164 /nfs/dbraw/zinc/90/51/64/1433905164.db2.gz SQNYKZJNZDEZNV-UHFFFAOYSA-N 2 2 379.533 3.489 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1OCc1ccccc1 ZINC000262025357 1433923127 /nfs/dbraw/zinc/92/31/27/1433923127.db2.gz NPCDWOUJFQUUNZ-HSZRJFAPSA-N 2 2 382.504 3.468 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(OC)c1OCc1ccccc1 ZINC000262025357 1433923132 /nfs/dbraw/zinc/92/31/32/1433923132.db2.gz NPCDWOUJFQUUNZ-HSZRJFAPSA-N 2 2 382.504 3.468 20 0 GGADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000262030894 1433923292 /nfs/dbraw/zinc/92/32/92/1433923292.db2.gz OBLSTBZZEURLPB-QGZVFWFLSA-N 2 2 392.956 3.283 20 0 GGADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000262030894 1433923303 /nfs/dbraw/zinc/92/33/03/1433923303.db2.gz OBLSTBZZEURLPB-QGZVFWFLSA-N 2 2 392.956 3.283 20 0 GGADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000262030890 1433923505 /nfs/dbraw/zinc/92/35/05/1433923505.db2.gz OBLSTBZZEURLPB-KRWDZBQOSA-N 2 2 392.956 3.283 20 0 GGADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000262030890 1433923507 /nfs/dbraw/zinc/92/35/07/1433923507.db2.gz OBLSTBZZEURLPB-KRWDZBQOSA-N 2 2 392.956 3.283 20 0 GGADLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)C1C[NH2+]C1 ZINC000262396063 1433937635 /nfs/dbraw/zinc/93/76/35/1433937635.db2.gz OYEHUFMWEHDEEH-HNNXBMFYSA-N 2 2 387.524 3.054 20 0 GGADLP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000262544984 1433942886 /nfs/dbraw/zinc/94/28/86/1433942886.db2.gz UUSQATRJFMESGB-HUUCEWRRSA-N 2 2 375.513 3.182 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000262638404 1433947270 /nfs/dbraw/zinc/94/72/70/1433947270.db2.gz IMSCBESEGKGMDY-IFMALSPDSA-N 2 2 381.520 3.347 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1)[NH+]1CCCCC1 ZINC000262638405 1433947489 /nfs/dbraw/zinc/94/74/89/1433947489.db2.gz IMSCBESEGKGMDY-IRLDBZIGSA-N 2 2 381.520 3.347 20 0 GGADLP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262653613 1433948258 /nfs/dbraw/zinc/94/82/58/1433948258.db2.gz BEIIVJRSDJGYJT-UYAOXDASSA-N 2 2 389.902 3.130 20 0 GGADLP [NH3+][C@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262653613 1433948261 /nfs/dbraw/zinc/94/82/61/1433948261.db2.gz BEIIVJRSDJGYJT-UYAOXDASSA-N 2 2 389.902 3.130 20 0 GGADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262672943 1433949461 /nfs/dbraw/zinc/94/94/61/1433949461.db2.gz PLORVLULWJIFDT-JVPQYHMTSA-N 2 2 393.934 3.480 20 0 GGADLP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000262672943 1433949465 /nfs/dbraw/zinc/94/94/65/1433949465.db2.gz PLORVLULWJIFDT-JVPQYHMTSA-N 2 2 393.934 3.480 20 0 GGADLP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1(C)C ZINC000262812586 1433957969 /nfs/dbraw/zinc/95/79/69/1433957969.db2.gz VRBOJOAYRWPYHJ-XMSQKQJNSA-N 2 2 382.508 3.357 20 0 GGADLP CC(C)[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000262983603 1433973049 /nfs/dbraw/zinc/97/30/49/1433973049.db2.gz NIVVYNUJBBPEOD-XNJGSVPQSA-N 2 2 387.446 3.236 20 0 GGADLP CC(C)[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262983582 1433973284 /nfs/dbraw/zinc/97/32/84/1433973284.db2.gz NIVVYNUJBBPEOD-IIYDPXPESA-N 2 2 387.446 3.236 20 0 GGADLP CC(C)[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262983582 1433973291 /nfs/dbraw/zinc/97/32/91/1433973291.db2.gz NIVVYNUJBBPEOD-IIYDPXPESA-N 2 2 387.446 3.236 20 0 GGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)C[C@H](C)O1 ZINC000263751991 1434029217 /nfs/dbraw/zinc/02/92/17/1434029217.db2.gz PHXDTGLLWKBXOG-GASCZTMLSA-N 2 2 376.526 3.119 20 0 GGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(-c4ccsc4)no3)CC2)C[C@H](C)O1 ZINC000263751991 1434029220 /nfs/dbraw/zinc/02/92/20/1434029220.db2.gz PHXDTGLLWKBXOG-GASCZTMLSA-N 2 2 376.526 3.119 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000263752335 1434029453 /nfs/dbraw/zinc/02/94/53/1434029453.db2.gz FTQQBLZYWLXITK-QHCPKHFHSA-N 2 2 398.595 3.352 20 0 GGADLP CC(C)N(Cc1cccs1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000263770396 1434031683 /nfs/dbraw/zinc/03/16/83/1434031683.db2.gz TVWHEEHGHKAXHY-UHFFFAOYSA-N 2 2 378.586 3.227 20 0 GGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4cccs4)no3)CC2)C[C@@H](C)O1 ZINC000263772634 1434031810 /nfs/dbraw/zinc/03/18/10/1434031810.db2.gz TZCVHADBMHWIOX-HUUCEWRRSA-N 2 2 376.526 3.119 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(OC)c1 ZINC000263926520 1434049349 /nfs/dbraw/zinc/04/93/49/1434049349.db2.gz AMBZXOSRZRJRAO-ICSRJNTNSA-N 2 2 399.539 3.390 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1cccc(OC)c1 ZINC000263926516 1434049422 /nfs/dbraw/zinc/04/94/22/1434049422.db2.gz AMBZXOSRZRJRAO-AZUAARDMSA-N 2 2 399.539 3.390 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCC2)cc1 ZINC000263927829 1434049609 /nfs/dbraw/zinc/04/96/09/1434049609.db2.gz AVDHWSYXSXPMLS-VQTJNVASSA-N 2 2 381.524 3.444 20 0 GGADLP Cc1nc(C[NH+]2CCC(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)CC2)cs1 ZINC000263935085 1434050650 /nfs/dbraw/zinc/05/06/50/1434050650.db2.gz SOPYZJOHBSMLTH-GOSISDBHSA-N 2 2 392.594 3.144 20 0 GGADLP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263955194 1434053220 /nfs/dbraw/zinc/05/32/20/1434053220.db2.gz MZINFXBAJAJPNC-LJQANCHMSA-N 2 2 399.539 3.220 20 0 GGADLP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263961549 1434053965 /nfs/dbraw/zinc/05/39/65/1434053965.db2.gz QWRLBNQOSCNIBM-KRWDZBQOSA-N 2 2 387.553 3.272 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)[NH+]1CCCC1 ZINC000263963372 1434054265 /nfs/dbraw/zinc/05/42/65/1434054265.db2.gz RQXQOTRIGJRDAJ-PKOBYXMFSA-N 2 2 397.523 3.144 20 0 GGADLP C[C@@H](c1cccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1)[NH+]1CCOCC1 ZINC000264198914 1434081154 /nfs/dbraw/zinc/08/11/54/1434081154.db2.gz DRCBYGGDJCWVKH-KRWDZBQOSA-N 2 2 388.556 3.464 20 0 GGADLP C[C@H](c1cccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1)[NH+]1CCOCC1 ZINC000264200325 1434081533 /nfs/dbraw/zinc/08/15/33/1434081533.db2.gz FAJIIGYWASSPDT-GOSISDBHSA-N 2 2 396.535 3.463 20 0 GGADLP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264260490 1434089049 /nfs/dbraw/zinc/08/90/49/1434089049.db2.gz CVGWXWPDRQCGEG-QFIPXVFZSA-N 2 2 388.515 3.226 20 0 GGADLP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000264260490 1434089053 /nfs/dbraw/zinc/08/90/53/1434089053.db2.gz CVGWXWPDRQCGEG-QFIPXVFZSA-N 2 2 388.515 3.226 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000264272093 1434090686 /nfs/dbraw/zinc/09/06/86/1434090686.db2.gz PKKJPYZSNIIISH-GOSISDBHSA-N 2 2 394.560 3.030 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000264272093 1434090689 /nfs/dbraw/zinc/09/06/89/1434090689.db2.gz PKKJPYZSNIIISH-GOSISDBHSA-N 2 2 394.560 3.030 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000264292945 1434093813 /nfs/dbraw/zinc/09/38/13/1434093813.db2.gz MFFAUCRVXVXZNK-OAQYLSRUSA-N 2 2 395.551 3.138 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000264292945 1434093815 /nfs/dbraw/zinc/09/38/15/1434093815.db2.gz MFFAUCRVXVXZNK-OAQYLSRUSA-N 2 2 395.551 3.138 20 0 GGADLP CC[N@H+](C)[C@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC000264694027 1434144882 /nfs/dbraw/zinc/14/48/82/1434144882.db2.gz HZENGRNZMIGGMA-QFIPXVFZSA-N 2 2 398.551 3.313 20 0 GGADLP CC[N@@H+](C)[C@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC000264694027 1434144883 /nfs/dbraw/zinc/14/48/83/1434144883.db2.gz HZENGRNZMIGGMA-QFIPXVFZSA-N 2 2 398.551 3.313 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000264873094 1434161150 /nfs/dbraw/zinc/16/11/50/1434161150.db2.gz GVXZKBMOBNKLAZ-UHFFFAOYSA-N 2 2 398.551 3.149 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000264873094 1434161152 /nfs/dbraw/zinc/16/11/52/1434161152.db2.gz GVXZKBMOBNKLAZ-UHFFFAOYSA-N 2 2 398.551 3.149 20 0 GGADLP C[NH+](C)C/C=C/C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000265689455 1434256958 /nfs/dbraw/zinc/25/69/58/1434256958.db2.gz MUEHHPSTDLJGGA-XBXARRHUSA-N 2 2 378.879 3.212 20 0 GGADLP CCCC[NH+]1CCC(NC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000266431058 1434335592 /nfs/dbraw/zinc/33/55/92/1434335592.db2.gz MZMYSJULHCEKJL-GOSISDBHSA-N 2 2 388.556 3.466 20 0 GGADLP C[C@H](c1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1)[NH+]1CCOCC1 ZINC000266434746 1434336404 /nfs/dbraw/zinc/33/64/04/1434336404.db2.gz NNCUGMIFBRRSHL-NQIIRXRSSA-N 2 2 388.556 3.418 20 0 GGADLP C[C@H](c1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1)[NH+]1CCOCC1 ZINC000266434746 1434336407 /nfs/dbraw/zinc/33/64/07/1434336407.db2.gz NNCUGMIFBRRSHL-NQIIRXRSSA-N 2 2 388.556 3.418 20 0 GGADLP CCCC[NH+]1CCC(NC(=O)Nc2ccccc2OCCn2cc[nH+]c2)CC1 ZINC000266442441 1434337360 /nfs/dbraw/zinc/33/73/60/1434337360.db2.gz PMPQODUSVMJPJC-UHFFFAOYSA-N 2 2 385.512 3.348 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CC[C@H]3c3ccc(Cl)cc3)CC2)CC1 ZINC000266708216 1434365868 /nfs/dbraw/zinc/36/58/68/1434365868.db2.gz HUGRFXMCISQEON-FQEVSTJZSA-N 2 2 390.959 3.355 20 0 GGADLP CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)C1CC[NH+](C)CC1 ZINC000266863080 1434383004 /nfs/dbraw/zinc/38/30/04/1434383004.db2.gz VINRPILHMJCRRQ-UHFFFAOYSA-N 2 2 384.524 3.043 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000266904325 1434387233 /nfs/dbraw/zinc/38/72/33/1434387233.db2.gz HHUNUVXEYNBGFF-QHCPKHFHSA-N 2 2 392.547 3.004 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000266904325 1434387237 /nfs/dbraw/zinc/38/72/37/1434387237.db2.gz HHUNUVXEYNBGFF-QHCPKHFHSA-N 2 2 392.547 3.004 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266969510 1434394090 /nfs/dbraw/zinc/39/40/90/1434394090.db2.gz ZIPUEANCSPILJP-GOSISDBHSA-N 2 2 392.507 3.420 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266969510 1434394092 /nfs/dbraw/zinc/39/40/92/1434394092.db2.gz ZIPUEANCSPILJP-GOSISDBHSA-N 2 2 392.507 3.420 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267221938 1434415077 /nfs/dbraw/zinc/41/50/77/1434415077.db2.gz JFZBOLZBHVPJFF-YKSBVNFPSA-N 2 2 390.531 3.483 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@H](c1ccccc1)N1CCOCC1 ZINC000267221931 1434415097 /nfs/dbraw/zinc/41/50/97/1434415097.db2.gz JFZBOLZBHVPJFF-HYBUGGRVSA-N 2 2 390.531 3.483 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267278909 1434418945 /nfs/dbraw/zinc/41/89/45/1434418945.db2.gz GLDJURVMRIPCJM-UHFFFAOYSA-N 2 2 385.556 3.278 20 0 GGADLP CCC[NH+]1CCC(N(C)C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)CC1 ZINC000267286592 1434419414 /nfs/dbraw/zinc/41/94/14/1434419414.db2.gz HVLUSEJJHQKKSI-GOSISDBHSA-N 2 2 388.556 3.418 20 0 GGADLP CO[C@H](C)c1noc(C[N@@H+]2CCCN(c3cc(C)[nH+]c4ccccc43)CC2)n1 ZINC000267434892 1434432454 /nfs/dbraw/zinc/43/24/54/1434432454.db2.gz XPNPWQKYDGVSCZ-MRXNPFEDSA-N 2 2 381.480 3.346 20 0 GGADLP CO[C@H](C)c1noc(C[N@H+]2CCCN(c3cc(C)[nH+]c4ccccc43)CC2)n1 ZINC000267434892 1434432455 /nfs/dbraw/zinc/43/24/55/1434432455.db2.gz XPNPWQKYDGVSCZ-MRXNPFEDSA-N 2 2 381.480 3.346 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000267441881 1434433655 /nfs/dbraw/zinc/43/36/55/1434433655.db2.gz JXTYDRMPQQNNRO-MOPGFXCFSA-N 2 2 388.556 3.275 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)C1 ZINC000267441881 1434433656 /nfs/dbraw/zinc/43/36/56/1434433656.db2.gz JXTYDRMPQQNNRO-MOPGFXCFSA-N 2 2 388.556 3.275 20 0 GGADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000267480505 1434438829 /nfs/dbraw/zinc/43/88/29/1434438829.db2.gz BYXPKLTYSGQYOF-HMXCVIKNSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000267480505 1434438831 /nfs/dbraw/zinc/43/88/31/1434438831.db2.gz BYXPKLTYSGQYOF-HMXCVIKNSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000267480505 1434438836 /nfs/dbraw/zinc/43/88/36/1434438836.db2.gz BYXPKLTYSGQYOF-HMXCVIKNSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@H](Nc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000267480505 1434438837 /nfs/dbraw/zinc/43/88/37/1434438837.db2.gz BYXPKLTYSGQYOF-HMXCVIKNSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000267527781 1434443627 /nfs/dbraw/zinc/44/36/27/1434443627.db2.gz UFZRTHOKPWYSAT-RLLQIKCJSA-N 2 2 381.524 3.352 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)CC[N@H+]1Cc1ccccc1 ZINC000267527781 1434443631 /nfs/dbraw/zinc/44/36/31/1434443631.db2.gz UFZRTHOKPWYSAT-RLLQIKCJSA-N 2 2 381.524 3.352 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000267569714 1434446519 /nfs/dbraw/zinc/44/65/19/1434446519.db2.gz ILSAYLSQMFFVHZ-UIFIKXQLSA-N 2 2 386.540 3.170 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000267569714 1434446520 /nfs/dbraw/zinc/44/65/20/1434446520.db2.gz ILSAYLSQMFFVHZ-UIFIKXQLSA-N 2 2 386.540 3.170 20 0 GGADLP Cc1cc([C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1F ZINC000267639240 1434451917 /nfs/dbraw/zinc/45/19/17/1434451917.db2.gz AIHXCYVXLWLTDB-MRXNPFEDSA-N 2 2 376.520 3.053 20 0 GGADLP CC[NH+]1CCN(Cc2ccc(NC(=O)c3sccc3C[NH+](C)C)cc2)CC1 ZINC000268012644 1434486954 /nfs/dbraw/zinc/48/69/54/1434486954.db2.gz HBUXBAHCSNDOQS-UHFFFAOYSA-N 2 2 386.565 3.200 20 0 GGADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cc1 ZINC000268393190 1434518546 /nfs/dbraw/zinc/51/85/46/1434518546.db2.gz RHSQJFAFSWYXSU-WIYYLYMNSA-N 2 2 384.524 3.327 20 0 GGADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000268393188 1434518621 /nfs/dbraw/zinc/51/86/21/1434518621.db2.gz RHSQJFAFSWYXSU-RXVVDRJESA-N 2 2 384.524 3.327 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268529176 1434530176 /nfs/dbraw/zinc/53/01/76/1434530176.db2.gz HXIXQYLJRGENSP-XLIONFOSSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268529176 1434530179 /nfs/dbraw/zinc/53/01/79/1434530179.db2.gz HXIXQYLJRGENSP-XLIONFOSSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268748940 1434552910 /nfs/dbraw/zinc/55/29/10/1434552910.db2.gz GVQWQWDBYPQKPM-INIZCTEOSA-N 2 2 384.505 3.154 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CSCCc4ccccc43)cc2)CC1 ZINC000268784227 1434556875 /nfs/dbraw/zinc/55/68/75/1434556875.db2.gz AQMKSRCCJWCVOG-QFIPXVFZSA-N 2 2 395.572 3.194 20 0 GGADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2Cn2cc[nH+]c2)ccc1S(C)(=O)=O ZINC000268782610 1434556888 /nfs/dbraw/zinc/55/68/88/1434556888.db2.gz UPSXLYRLSIIJLY-INIZCTEOSA-N 2 2 399.516 3.194 20 0 GGADLP CC(C)C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccn1 ZINC000268801539 1434558459 /nfs/dbraw/zinc/55/84/59/1434558459.db2.gz HSZBLLBCVCIJRC-JOCHJYFZSA-N 2 2 380.536 3.346 20 0 GGADLP CC(C)C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccn1 ZINC000268801541 1434558682 /nfs/dbraw/zinc/55/86/82/1434558682.db2.gz HSZBLLBCVCIJRC-QFIPXVFZSA-N 2 2 380.536 3.346 20 0 GGADLP COc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1F ZINC000268809779 1434559696 /nfs/dbraw/zinc/55/96/96/1434559696.db2.gz KJTWQJNBKGQJBR-INIZCTEOSA-N 2 2 385.483 3.073 20 0 GGADLP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000268813810 1434560239 /nfs/dbraw/zinc/56/02/39/1434560239.db2.gz FPFGWHLAEQQBJW-PBHICJAKSA-N 2 2 375.538 3.234 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1N(C)C ZINC000268829503 1434562224 /nfs/dbraw/zinc/56/22/24/1434562224.db2.gz QKEOLKHMCVJFBV-QGZVFWFLSA-N 2 2 398.526 3.130 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)COC2 ZINC000268832711 1434562547 /nfs/dbraw/zinc/56/25/47/1434562547.db2.gz XAXXVFZVMPBCHW-SFHVURJKSA-N 2 2 382.504 3.279 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc2c(c1)COC2 ZINC000268832710 1434562680 /nfs/dbraw/zinc/56/26/80/1434562680.db2.gz XAXXVFZVMPBCHW-GOSISDBHSA-N 2 2 382.504 3.279 20 0 GGADLP O=C(NC1CC1)c1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000268836478 1434562918 /nfs/dbraw/zinc/56/29/18/1434562918.db2.gz PQKLZVPELIUBDH-UHFFFAOYSA-N 2 2 377.532 3.376 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000268841783 1434563217 /nfs/dbraw/zinc/56/32/17/1434563217.db2.gz ZVAQNEMZRQXHNY-UHFFFAOYSA-N 2 2 390.524 3.026 20 0 GGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000268879994 1434567253 /nfs/dbraw/zinc/56/72/53/1434567253.db2.gz HSWSNHKMGJMIQD-MAUKXSAKSA-N 2 2 386.565 3.033 20 0 GGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000268879994 1434567256 /nfs/dbraw/zinc/56/72/56/1434567256.db2.gz HSWSNHKMGJMIQD-MAUKXSAKSA-N 2 2 386.565 3.033 20 0 GGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000268879996 1434567292 /nfs/dbraw/zinc/56/72/92/1434567292.db2.gz HSWSNHKMGJMIQD-YJBOKZPZSA-N 2 2 386.565 3.033 20 0 GGADLP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000268879996 1434567293 /nfs/dbraw/zinc/56/72/93/1434567293.db2.gz HSWSNHKMGJMIQD-YJBOKZPZSA-N 2 2 386.565 3.033 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268899298 1434569116 /nfs/dbraw/zinc/56/91/16/1434569116.db2.gz KSJMVZGNESFJRB-FUHWJXTLSA-N 2 2 384.549 3.117 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268899298 1434569118 /nfs/dbraw/zinc/56/91/18/1434569118.db2.gz KSJMVZGNESFJRB-FUHWJXTLSA-N 2 2 384.549 3.117 20 0 GGADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1SC(F)F ZINC000268903884 1434569352 /nfs/dbraw/zinc/56/93/52/1434569352.db2.gz LJYVGOCDBDNOFG-OCCSQVGLSA-N 2 2 387.496 3.000 20 0 GGADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)ccc1SC(F)F ZINC000268903884 1434569353 /nfs/dbraw/zinc/56/93/53/1434569353.db2.gz LJYVGOCDBDNOFG-OCCSQVGLSA-N 2 2 387.496 3.000 20 0 GGADLP CC[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000269038566 1434584735 /nfs/dbraw/zinc/58/47/35/1434584735.db2.gz WFSSFZRCTROWGL-UHFFFAOYSA-N 2 2 391.512 3.200 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC[N@@H+]1C ZINC000269051085 1434585904 /nfs/dbraw/zinc/58/59/04/1434585904.db2.gz ZNMLPSOZWWHYMN-BEFAXECRSA-N 2 2 391.512 3.199 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000269051085 1434585906 /nfs/dbraw/zinc/58/59/06/1434585906.db2.gz ZNMLPSOZWWHYMN-BEFAXECRSA-N 2 2 391.512 3.199 20 0 GGADLP COCCOc1ccccc1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269151112 1434597962 /nfs/dbraw/zinc/59/79/62/1434597962.db2.gz QDFPZNKOXBNURB-UHFFFAOYSA-N 2 2 384.524 3.249 20 0 GGADLP [NH3+]CCCn1ccc2cc(C(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)ccc21 ZINC000269224758 1434609566 /nfs/dbraw/zinc/60/95/66/1434609566.db2.gz CFUNWCBWRKTZJK-UHFFFAOYSA-N 2 2 392.503 3.075 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000269531975 1434657120 /nfs/dbraw/zinc/65/71/20/1434657120.db2.gz WYHZJYQKPBCJEC-IBGZPJMESA-N 2 2 383.540 3.099 20 0 GGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000269531975 1434657121 /nfs/dbraw/zinc/65/71/21/1434657121.db2.gz WYHZJYQKPBCJEC-IBGZPJMESA-N 2 2 383.540 3.099 20 0 GGADLP CN(C(=O)c1ccc2nccnc2c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270049818 1434696841 /nfs/dbraw/zinc/69/68/41/1434696841.db2.gz NCAVXKCNRWKVHW-FCHUYYIVSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1ccc2nccnc2c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270049818 1434696843 /nfs/dbraw/zinc/69/68/43/1434696843.db2.gz NCAVXKCNRWKVHW-FCHUYYIVSA-N 2 2 395.551 3.039 20 0 GGADLP CC(=O)c1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000270061042 1434698234 /nfs/dbraw/zinc/69/82/34/1434698234.db2.gz QAOPQYYWDCTKJN-PKTZIBPZSA-N 2 2 399.579 3.227 20 0 GGADLP CC(=O)c1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000270061042 1434698235 /nfs/dbraw/zinc/69/82/35/1434698235.db2.gz QAOPQYYWDCTKJN-PKTZIBPZSA-N 2 2 399.579 3.227 20 0 GGADLP C[C@@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000270096668 1434702680 /nfs/dbraw/zinc/70/26/80/1434702680.db2.gz KTZAGKKHAUDJSY-YLJYHZDGSA-N 2 2 381.524 3.307 20 0 GGADLP CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270329099 1434723694 /nfs/dbraw/zinc/72/36/94/1434723694.db2.gz LVKJFBGTEIRBPB-QGZVFWFLSA-N 2 2 379.508 3.407 20 0 GGADLP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000270329099 1434723698 /nfs/dbraw/zinc/72/36/98/1434723698.db2.gz LVKJFBGTEIRBPB-QGZVFWFLSA-N 2 2 379.508 3.407 20 0 GGADLP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270849240 1434781283 /nfs/dbraw/zinc/78/12/83/1434781283.db2.gz GLGCTPOJXPGLIC-HXUWFJFHSA-N 2 2 386.584 3.121 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(Cl)cc3)CC2)CC1 ZINC000270950189 1434790323 /nfs/dbraw/zinc/79/03/23/1434790323.db2.gz SSGKFXBNDXCZFV-QGZVFWFLSA-N 2 2 392.975 3.157 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nc4cc(Cl)ccc4n3C)CC2)CC1 ZINC000271009437 1434795435 /nfs/dbraw/zinc/79/54/35/1434795435.db2.gz ZOQAEYUIWQFAHM-UHFFFAOYSA-N 2 2 389.975 3.217 20 0 GGADLP Cc1ccn2ncc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271018116 1434796010 /nfs/dbraw/zinc/79/60/10/1434796010.db2.gz IOMUZNQVGUAMBR-RTWAWAEBSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1ccn2ncc(C(=O)N(C)[C@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271018116 1434796013 /nfs/dbraw/zinc/79/60/13/1434796013.db2.gz IOMUZNQVGUAMBR-RTWAWAEBSA-N 2 2 397.567 3.052 20 0 GGADLP CCCn1c2ccccc2nc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000271215655 1434808662 /nfs/dbraw/zinc/80/86/62/1434808662.db2.gz NGYBOOVEBRHLJY-UHFFFAOYSA-N 2 2 383.584 3.437 20 0 GGADLP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000271668361 1434842941 /nfs/dbraw/zinc/84/29/41/1434842941.db2.gz AIJYAPUDUUFASA-UHFFFAOYSA-N 2 2 390.487 3.140 20 0 GGADLP C[NH+](CCCn1cc[nH+]c1)Cc1cccc(C[N@H+](C)CCCn2ccnc2)c1 ZINC000271682979 1434844010 /nfs/dbraw/zinc/84/40/10/1434844010.db2.gz KFHTUMBYGKNEMB-UHFFFAOYSA-N 3 2 380.540 3.124 20 0 GGADLP C[NH+](CCCn1cc[nH+]c1)Cc1cccc(C[N@@H+](C)CCCn2ccnc2)c1 ZINC000271682979 1434844012 /nfs/dbraw/zinc/84/40/12/1434844012.db2.gz KFHTUMBYGKNEMB-UHFFFAOYSA-N 3 2 380.540 3.124 20 0 GGADLP C[NH+](CCCn1ccnc1)Cc1cccc(C[N@H+](C)CCCn2cc[nH+]c2)c1 ZINC000271682979 1434844014 /nfs/dbraw/zinc/84/40/14/1434844014.db2.gz KFHTUMBYGKNEMB-UHFFFAOYSA-N 3 2 380.540 3.124 20 0 GGADLP C[NH+](CCCn1ccnc1)Cc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2)c1 ZINC000271682979 1434844015 /nfs/dbraw/zinc/84/40/15/1434844015.db2.gz KFHTUMBYGKNEMB-UHFFFAOYSA-N 3 2 380.540 3.124 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000271772566 1434849538 /nfs/dbraw/zinc/84/95/38/1434849538.db2.gz FLKSJUBSJSFMKN-INIZCTEOSA-N 2 2 378.513 3.080 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)CC1 ZINC000271784458 1434850411 /nfs/dbraw/zinc/85/04/11/1434850411.db2.gz HNUILXKLZTUMOV-UHFFFAOYSA-N 2 2 399.491 3.039 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000271846423 1434854566 /nfs/dbraw/zinc/85/45/66/1434854566.db2.gz UYPSCCCUMGPRJO-UHFFFAOYSA-N 2 2 388.430 3.135 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000271855538 1434855055 /nfs/dbraw/zinc/85/50/55/1434855055.db2.gz XLEARODLJGQDQN-MRXNPFEDSA-N 2 2 387.524 3.103 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1)[NH+]1CCOCC1 ZINC000271876560 1434856525 /nfs/dbraw/zinc/85/65/25/1434856525.db2.gz XYMRPWFMNAOHKJ-MOPGFXCFSA-N 2 2 386.540 3.029 20 0 GGADLP C[C@@H](Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1)c1ccc(-n2cncn2)cc1 ZINC000272167273 1434875858 /nfs/dbraw/zinc/87/58/58/1434875858.db2.gz CNWCIYNYYYMRIU-QGZVFWFLSA-N 2 2 391.523 3.366 20 0 GGADLP COCCc1nc(C)c([C@H](C)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000272172810 1434876006 /nfs/dbraw/zinc/87/60/06/1434876006.db2.gz DKJVHVDGOALXLO-YOEHRIQHSA-N 2 2 389.569 3.349 20 0 GGADLP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)[C@@H]2C1 ZINC000272239424 1434880732 /nfs/dbraw/zinc/88/07/32/1434880732.db2.gz AKXWZNIDJYTXMB-OXQOHEQNSA-N 2 2 377.492 3.160 20 0 GGADLP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)[C@@H]2C1 ZINC000272239424 1434880733 /nfs/dbraw/zinc/88/07/33/1434880733.db2.gz AKXWZNIDJYTXMB-OXQOHEQNSA-N 2 2 377.492 3.160 20 0 GGADLP Cc1cc2ncc([C@@H](C)Nc3ccc(N4CC[C@H]([NH+](C)C)C4)c[nH+]3)c(C)n2n1 ZINC000272259579 1434882230 /nfs/dbraw/zinc/88/22/30/1434882230.db2.gz LPUWMEBQUIZHKR-QAPCUYQASA-N 2 2 379.512 3.055 20 0 GGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCOC2=O)c1 ZINC000272288744 1434884584 /nfs/dbraw/zinc/88/45/84/1434884584.db2.gz PSGIGFZIYDLZEV-OXJNMPFZSA-N 2 2 395.507 3.352 20 0 GGADLP C[C@@H](CC(=O)N1CCCCCC1)Nc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000272321414 1434887138 /nfs/dbraw/zinc/88/71/38/1434887138.db2.gz WCIVECGECVKYRL-SFHVURJKSA-N 2 2 387.572 3.205 20 0 GGADLP C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272335212 1434887864 /nfs/dbraw/zinc/88/78/64/1434887864.db2.gz NMHSMOGDCDTCAW-PXNSSMCTSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272335212 1434887866 /nfs/dbraw/zinc/88/78/66/1434887866.db2.gz NMHSMOGDCDTCAW-PXNSSMCTSA-N 2 2 377.492 3.044 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NC3CCN(c4ccccn4)CC3)[nH+]c2)CC1 ZINC000272333167 1434888012 /nfs/dbraw/zinc/88/80/12/1434888012.db2.gz YISAXNLIZOGKPJ-UHFFFAOYSA-N 2 2 380.540 3.088 20 0 GGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(N2CCOC2=O)cc1 ZINC000272341459 1434888587 /nfs/dbraw/zinc/88/85/87/1434888587.db2.gz ZSHWSYXMLKHLFL-OXQOHEQNSA-N 2 2 395.507 3.352 20 0 GGADLP C[C@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1ccc(N2CCOC2=O)cc1 ZINC000272341458 1434888604 /nfs/dbraw/zinc/88/86/04/1434888604.db2.gz ZSHWSYXMLKHLFL-OXJNMPFZSA-N 2 2 395.507 3.352 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272350887 1434889391 /nfs/dbraw/zinc/88/93/91/1434889391.db2.gz YETOJTVCDFYTJV-JBACZVJFSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272350887 1434889392 /nfs/dbraw/zinc/88/93/92/1434889392.db2.gz YETOJTVCDFYTJV-JBACZVJFSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272350887 1434889394 /nfs/dbraw/zinc/88/93/94/1434889394.db2.gz YETOJTVCDFYTJV-JBACZVJFSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272350887 1434889396 /nfs/dbraw/zinc/88/93/96/1434889396.db2.gz YETOJTVCDFYTJV-JBACZVJFSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272453626 1434897384 /nfs/dbraw/zinc/89/73/84/1434897384.db2.gz GLQCOINIFZTARI-UYAOXDASSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272453626 1434897385 /nfs/dbraw/zinc/89/73/85/1434897385.db2.gz GLQCOINIFZTARI-UYAOXDASSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000272506749 1434901736 /nfs/dbraw/zinc/90/17/36/1434901736.db2.gz JKPPSAYUFAEYIU-ROUUACIJSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC2(C)CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000272506741 1434901943 /nfs/dbraw/zinc/90/19/43/1434901943.db2.gz JKPPSAYUFAEYIU-QZTJIDSGSA-N 2 2 388.556 3.149 20 0 GGADLP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272525707 1434904181 /nfs/dbraw/zinc/90/41/81/1434904181.db2.gz YUURYTZMOKHYDY-FQEVSTJZSA-N 2 2 387.480 3.113 20 0 GGADLP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000272525713 1434904204 /nfs/dbraw/zinc/90/42/04/1434904204.db2.gz YUURYTZMOKHYDY-HXUWFJFHSA-N 2 2 387.480 3.113 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272578099 1434909945 /nfs/dbraw/zinc/90/99/45/1434909945.db2.gz URPFVUVJZMBUIZ-DFQSSKMNSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272578099 1434909948 /nfs/dbraw/zinc/90/99/48/1434909948.db2.gz URPFVUVJZMBUIZ-DFQSSKMNSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272578102 1434910047 /nfs/dbraw/zinc/91/00/47/1434910047.db2.gz URPFVUVJZMBUIZ-YSIASYRMSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@H](NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272578102 1434910053 /nfs/dbraw/zinc/91/00/53/1434910053.db2.gz URPFVUVJZMBUIZ-YSIASYRMSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@H](NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000272658215 1434920498 /nfs/dbraw/zinc/92/04/98/1434920498.db2.gz BLIFHTZSARIYNH-KSZLIROESA-N 2 2 386.540 3.068 20 0 GGADLP C[C@H](NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000272658215 1434920500 /nfs/dbraw/zinc/92/05/00/1434920500.db2.gz BLIFHTZSARIYNH-KSZLIROESA-N 2 2 386.540 3.068 20 0 GGADLP C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000272658215 1434920503 /nfs/dbraw/zinc/92/05/03/1434920503.db2.gz BLIFHTZSARIYNH-KSZLIROESA-N 2 2 386.540 3.068 20 0 GGADLP C[C@H](NC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[N@@H+](C)CC1 ZINC000272658215 1434920505 /nfs/dbraw/zinc/92/05/05/1434920505.db2.gz BLIFHTZSARIYNH-KSZLIROESA-N 2 2 386.540 3.068 20 0 GGADLP CC(C)Oc1cc(F)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000272677403 1434921855 /nfs/dbraw/zinc/92/18/55/1434921855.db2.gz UWLWCERCZPSEKI-UHFFFAOYSA-N 2 2 380.508 3.103 20 0 GGADLP CC(C)Oc1cc(F)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000272677403 1434921857 /nfs/dbraw/zinc/92/18/57/1434921857.db2.gz UWLWCERCZPSEKI-UHFFFAOYSA-N 2 2 380.508 3.103 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000272744590 1434927628 /nfs/dbraw/zinc/92/76/28/1434927628.db2.gz LUKAIKNSMVANLG-LXBDKUERSA-N 2 2 381.520 3.179 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000272744590 1434927630 /nfs/dbraw/zinc/92/76/30/1434927630.db2.gz LUKAIKNSMVANLG-LXBDKUERSA-N 2 2 381.520 3.179 20 0 GGADLP CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)sc2C1 ZINC000273064216 1434956484 /nfs/dbraw/zinc/95/64/84/1434956484.db2.gz UEOVUUWPVIUQMR-UHFFFAOYSA-N 2 2 381.505 3.407 20 0 GGADLP CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(Cn4cc[nH+]c4)cc3)sc2C1 ZINC000273064216 1434956486 /nfs/dbraw/zinc/95/64/86/1434956486.db2.gz UEOVUUWPVIUQMR-UHFFFAOYSA-N 2 2 381.505 3.407 20 0 GGADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000273163474 1434968090 /nfs/dbraw/zinc/96/80/90/1434968090.db2.gz KVZAAIUVKDKWHH-DEOSSOPVSA-N 2 2 390.531 3.403 20 0 GGADLP Fc1ccc(-c2noc(CCC[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)cc1 ZINC000273241184 1434974924 /nfs/dbraw/zinc/97/49/24/1434974924.db2.gz YVPDTZRKMUFGGC-UHFFFAOYSA-N 2 2 381.455 3.462 20 0 GGADLP C[C@H](c1cccc(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1)[NH+]1CCOCC1 ZINC000273301059 1434979320 /nfs/dbraw/zinc/97/93/20/1434979320.db2.gz BHQURKCDFJNJKE-ZWKOTPCHSA-N 2 2 388.556 3.274 20 0 GGADLP CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274808966 1435094553 /nfs/dbraw/zinc/09/45/53/1435094553.db2.gz HLFYTSWNVCAEKA-HTAPYJJXSA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274808966 1435094555 /nfs/dbraw/zinc/09/45/55/1435094555.db2.gz HLFYTSWNVCAEKA-HTAPYJJXSA-N 2 2 394.519 3.084 20 0 GGADLP Cc1csc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)n12 ZINC000274853094 1435097878 /nfs/dbraw/zinc/09/78/78/1435097878.db2.gz RJMNLVIRCQTQDL-HNAYVOBHSA-N 2 2 382.533 3.065 20 0 GGADLP Cc1csc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)n12 ZINC000274853094 1435097879 /nfs/dbraw/zinc/09/78/79/1435097879.db2.gz RJMNLVIRCQTQDL-HNAYVOBHSA-N 2 2 382.533 3.065 20 0 GGADLP Cc1csc2nc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)n12 ZINC000274853097 1435097912 /nfs/dbraw/zinc/09/79/12/1435097912.db2.gz RJMNLVIRCQTQDL-KXBFYZLASA-N 2 2 382.533 3.065 20 0 GGADLP Cc1csc2nc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)cc(=O)n12 ZINC000274853097 1435097915 /nfs/dbraw/zinc/09/79/15/1435097915.db2.gz RJMNLVIRCQTQDL-KXBFYZLASA-N 2 2 382.533 3.065 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000274855505 1435098144 /nfs/dbraw/zinc/09/81/44/1435098144.db2.gz SAMQMQSWEYINEV-PXNSSMCTSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000274855505 1435098146 /nfs/dbraw/zinc/09/81/46/1435098146.db2.gz SAMQMQSWEYINEV-PXNSSMCTSA-N 2 2 397.519 3.143 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)nc12 ZINC000274861643 1435098720 /nfs/dbraw/zinc/09/87/20/1435098720.db2.gz UKFVOSXHWOABJD-WIYYLYMNSA-N 2 2 376.504 3.003 20 0 GGADLP Cc1cccn2c(=O)cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)nc12 ZINC000274861643 1435098722 /nfs/dbraw/zinc/09/87/22/1435098722.db2.gz UKFVOSXHWOABJD-WIYYLYMNSA-N 2 2 376.504 3.003 20 0 GGADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274868710 1435099271 /nfs/dbraw/zinc/09/92/71/1435099271.db2.gz WMCCBKUNTQINAX-JTSKRJEESA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274868710 1435099273 /nfs/dbraw/zinc/09/92/73/1435099273.db2.gz WMCCBKUNTQINAX-JTSKRJEESA-N 2 2 379.504 3.328 20 0 GGADLP C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274917756 1435103401 /nfs/dbraw/zinc/10/34/01/1435103401.db2.gz OQMQHMWDBQHQBK-SIKLNZKXSA-N 2 2 386.561 3.102 20 0 GGADLP C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274917756 1435103402 /nfs/dbraw/zinc/10/34/02/1435103402.db2.gz OQMQHMWDBQHQBK-SIKLNZKXSA-N 2 2 386.561 3.102 20 0 GGADLP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)C1)CCCC2 ZINC000275289021 1435129019 /nfs/dbraw/zinc/12/90/19/1435129019.db2.gz LOHVLVQPLHHZQU-FQEVSTJZSA-N 2 2 389.503 3.402 20 0 GGADLP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)C1)CCCC2 ZINC000275493586 1435143346 /nfs/dbraw/zinc/14/33/46/1435143346.db2.gz ZURULPURKMVFCL-FQEVSTJZSA-N 2 2 389.503 3.402 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275731431 1435163547 /nfs/dbraw/zinc/16/35/47/1435163547.db2.gz XHXZNSOHMGAECU-GOSISDBHSA-N 2 2 381.524 3.096 20 0 GGADLP COCCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000275784069 1435169003 /nfs/dbraw/zinc/16/90/03/1435169003.db2.gz RZDDQSZJRWRICQ-JOCHJYFZSA-N 2 2 383.536 3.451 20 0 GGADLP COCCCOc1cccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)c1 ZINC000275784069 1435169004 /nfs/dbraw/zinc/16/90/04/1435169004.db2.gz RZDDQSZJRWRICQ-JOCHJYFZSA-N 2 2 383.536 3.451 20 0 GGADLP COCCCOc1cccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)c1 ZINC000275784069 1435169005 /nfs/dbraw/zinc/16/90/05/1435169005.db2.gz RZDDQSZJRWRICQ-JOCHJYFZSA-N 2 2 383.536 3.451 20 0 GGADLP COCCCOc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)c1 ZINC000275784069 1435169006 /nfs/dbraw/zinc/16/90/06/1435169006.db2.gz RZDDQSZJRWRICQ-JOCHJYFZSA-N 2 2 383.536 3.451 20 0 GGADLP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](c3ncc[nH]3)c3ccc(F)cc3)[nH+]c2)C1 ZINC000275943422 1435181538 /nfs/dbraw/zinc/18/15/38/1435181538.db2.gz ZJIMNCGXOJWOSP-UYAOXDASSA-N 2 2 380.471 3.286 20 0 GGADLP C[NH+](C)CCc1ccc(CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC000276080900 1435189884 /nfs/dbraw/zinc/18/98/84/1435189884.db2.gz LHDFDMVFDBHESI-UHFFFAOYSA-N 2 2 391.519 3.035 20 0 GGADLP CCCN(CCC[NH+](C)C)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276110954 1435191648 /nfs/dbraw/zinc/19/16/48/1435191648.db2.gz AODXWQILCUHWIE-SFHVURJKSA-N 2 2 376.545 3.275 20 0 GGADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cnn1C(C)C ZINC000276291741 1435202634 /nfs/dbraw/zinc/20/26/34/1435202634.db2.gz BKSLGHFLURAVLY-KRWDZBQOSA-N 2 2 383.540 3.011 20 0 GGADLP CC(C)N(C)c1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cn1 ZINC000276574440 1435218282 /nfs/dbraw/zinc/21/82/82/1435218282.db2.gz NMXLWAFRSNUDEA-UHFFFAOYSA-N 2 2 382.556 3.464 20 0 GGADLP CCn1nccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000276912720 1435242502 /nfs/dbraw/zinc/24/25/02/1435242502.db2.gz PGFLSOLBSFMDHO-TYPHKJRUSA-N 2 2 395.551 3.041 20 0 GGADLP CCn1nccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000276912720 1435242504 /nfs/dbraw/zinc/24/25/04/1435242504.db2.gz PGFLSOLBSFMDHO-TYPHKJRUSA-N 2 2 395.551 3.041 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000276989112 1435250120 /nfs/dbraw/zinc/25/01/20/1435250120.db2.gz UJAQWWVOQBFFDJ-UHFFFAOYSA-N 2 2 384.568 3.312 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000277080360 1435260099 /nfs/dbraw/zinc/26/00/99/1435260099.db2.gz UHUVBVFOGSYRMY-LJQANCHMSA-N 2 2 389.519 3.309 20 0 GGADLP CN(C(=O)[C@@H]1CC(=O)c2ccccc21)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000277141339 1435267655 /nfs/dbraw/zinc/26/76/55/1435267655.db2.gz JUWHWJMOMRVVFU-YPAWHYETSA-N 2 2 397.563 3.152 20 0 GGADLP CN(C(=O)[C@@H]1CC(=O)c2ccccc21)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000277141339 1435267658 /nfs/dbraw/zinc/26/76/58/1435267658.db2.gz JUWHWJMOMRVVFU-YPAWHYETSA-N 2 2 397.563 3.152 20 0 GGADLP C[NH+](C)[C@@H]1CCC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000277236199 1435282814 /nfs/dbraw/zinc/28/28/14/1435282814.db2.gz PEHRKDDNDSJFQN-LJQANCHMSA-N 2 2 380.536 3.200 20 0 GGADLP C[NH+](C)[C@@H]1CCC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000277236199 1435282818 /nfs/dbraw/zinc/28/28/18/1435282818.db2.gz PEHRKDDNDSJFQN-LJQANCHMSA-N 2 2 380.536 3.200 20 0 GGADLP C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000277279542 1435288846 /nfs/dbraw/zinc/28/88/46/1435288846.db2.gz SNFMSWIFSVPMIO-INIZCTEOSA-N 2 2 390.553 3.116 20 0 GGADLP CC[N@@H+](Cc1nncn1-c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000277830819 1435334324 /nfs/dbraw/zinc/33/43/24/1435334324.db2.gz WELFCPMRIUGUIB-UHFFFAOYSA-N 2 2 376.508 3.401 20 0 GGADLP CC[N@H+](Cc1nncn1-c1ccccc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000277830819 1435334326 /nfs/dbraw/zinc/33/43/26/1435334326.db2.gz WELFCPMRIUGUIB-UHFFFAOYSA-N 2 2 376.508 3.401 20 0 GGADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278013056 1435350292 /nfs/dbraw/zinc/35/02/92/1435350292.db2.gz WAMCUSYNKIUCGA-LJQANCHMSA-N 2 2 399.535 3.260 20 0 GGADLP COc1ccc(OCc2ccccn2)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278013056 1435350295 /nfs/dbraw/zinc/35/02/95/1435350295.db2.gz WAMCUSYNKIUCGA-LJQANCHMSA-N 2 2 399.535 3.260 20 0 GGADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000278046465 1435353584 /nfs/dbraw/zinc/35/35/84/1435353584.db2.gz SQLDKIVMMOIBTM-SFHVURJKSA-N 2 2 388.537 3.307 20 0 GGADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000278287258 1435376425 /nfs/dbraw/zinc/37/64/25/1435376425.db2.gz ZNFZJQWPMTYHLK-LJQANCHMSA-N 2 2 398.507 3.373 20 0 GGADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278341313 1435381538 /nfs/dbraw/zinc/38/15/38/1435381538.db2.gz XORJWTADHCEMKL-KRWDZBQOSA-N 2 2 385.508 3.055 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278541085 1435398571 /nfs/dbraw/zinc/39/85/71/1435398571.db2.gz GJBOQJITDUJJML-URXFXBBRSA-N 2 2 394.563 3.051 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278541085 1435398572 /nfs/dbraw/zinc/39/85/72/1435398572.db2.gz GJBOQJITDUJJML-URXFXBBRSA-N 2 2 394.563 3.051 20 0 GGADLP Cc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1OC(C)C ZINC000278605659 1435404498 /nfs/dbraw/zinc/40/44/98/1435404498.db2.gz IWSLPGLBSCAXQB-UHFFFAOYSA-N 2 2 388.556 3.462 20 0 GGADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000278646662 1435409584 /nfs/dbraw/zinc/40/95/84/1435409584.db2.gz PLBWGUOSOKRIBZ-FQEVSTJZSA-N 2 2 377.492 3.364 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278798450 1435424763 /nfs/dbraw/zinc/42/47/63/1435424763.db2.gz FNRHCIGUXXZVGP-KRWDZBQOSA-N 2 2 396.535 3.285 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278802372 1435425067 /nfs/dbraw/zinc/42/50/67/1435425067.db2.gz FXFPBMLBKNJZRT-MRXNPFEDSA-N 2 2 398.576 3.434 20 0 GGADLP O=c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc2ccc(Cl)cn12 ZINC000278813310 1435426101 /nfs/dbraw/zinc/42/61/01/1435426101.db2.gz GWQWWOBXRUJHPF-UHFFFAOYSA-N 2 2 397.910 3.260 20 0 GGADLP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278824719 1435427541 /nfs/dbraw/zinc/42/75/41/1435427541.db2.gz HUJWDPBXFOBFKQ-INIZCTEOSA-N 2 2 382.508 3.435 20 0 GGADLP COc1cccc(CN(C)C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278830310 1435428536 /nfs/dbraw/zinc/42/85/36/1435428536.db2.gz IIVVNRANGOOISS-UHFFFAOYSA-N 2 2 396.535 3.066 20 0 GGADLP COc1ccc(NC(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(OC)c1 ZINC000278858076 1435431907 /nfs/dbraw/zinc/43/19/07/1435431907.db2.gz KWYQNWRQRGCXKT-UHFFFAOYSA-N 2 2 398.507 3.055 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278910420 1435438467 /nfs/dbraw/zinc/43/84/67/1435438467.db2.gz QLYJRLYMNQYKQD-CQSZACIVSA-N 2 2 387.915 3.474 20 0 GGADLP CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278939494 1435442422 /nfs/dbraw/zinc/44/24/22/1435442422.db2.gz UHQXJZAAFFPYEK-UHFFFAOYSA-N 2 2 384.499 3.197 20 0 GGADLP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278978806 1435448111 /nfs/dbraw/zinc/44/81/11/1435448111.db2.gz YSOVBGAIPCOJSA-UHFFFAOYSA-N 2 2 396.535 3.066 20 0 GGADLP CCSCc1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000279179760 1435468107 /nfs/dbraw/zinc/46/81/07/1435468107.db2.gz HTLPSUFPSIESLP-UHFFFAOYSA-N 2 2 375.582 3.228 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000279650212 1435523829 /nfs/dbraw/zinc/52/38/29/1435523829.db2.gz KINNLVXOBDUGCJ-UHFFFAOYSA-N 2 2 390.478 3.394 20 0 GGADLP Cc1onc(-c2ccccc2C)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000279679187 1435528620 /nfs/dbraw/zinc/52/86/20/1435528620.db2.gz IUWICGCLRLZYST-UHFFFAOYSA-N 2 2 396.535 3.247 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000279709721 1435533250 /nfs/dbraw/zinc/53/32/50/1435533250.db2.gz SULSJFYVTVPIRK-UHFFFAOYSA-N 2 2 398.457 3.404 20 0 GGADLP Fc1ccc(-n2nccc2C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000279942453 1435567088 /nfs/dbraw/zinc/56/70/88/1435567088.db2.gz NUKYKQYHPIFROB-UHFFFAOYSA-N 2 2 380.467 3.133 20 0 GGADLP c1cncc([C@H]([NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)C2CCC2)c1 ZINC000281019038 1435757277 /nfs/dbraw/zinc/75/72/77/1435757277.db2.gz ZEJVERYIIGEVSK-HSZRJFAPSA-N 2 2 381.520 3.424 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000281024832 1435758441 /nfs/dbraw/zinc/75/84/41/1435758441.db2.gz OQBXFNFFLNGEFJ-DLBZAZTESA-N 2 2 388.556 3.452 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000281024847 1435758754 /nfs/dbraw/zinc/75/87/54/1435758754.db2.gz OQBXFNFFLNGEFJ-SJORKVTESA-N 2 2 388.556 3.452 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000281242285 1435800510 /nfs/dbraw/zinc/80/05/10/1435800510.db2.gz CYAWCZLEOBVTNW-OALUTQOASA-N 2 2 388.556 3.245 20 0 GGADLP CN(C(=O)Nc1cncc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000281298857 1435803046 /nfs/dbraw/zinc/80/30/46/1435803046.db2.gz DBRFZVXTRKUPGD-RTBURBONSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1cncc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000281298857 1435803048 /nfs/dbraw/zinc/80/30/48/1435803048.db2.gz DBRFZVXTRKUPGD-RTBURBONSA-N 2 2 377.508 3.022 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281344395 1435804705 /nfs/dbraw/zinc/80/47/05/1435804705.db2.gz WJSUHPYQAYXIGG-DZGCQCFKSA-N 2 2 390.478 3.392 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000281344395 1435804706 /nfs/dbraw/zinc/80/47/06/1435804706.db2.gz WJSUHPYQAYXIGG-DZGCQCFKSA-N 2 2 390.478 3.392 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000281343488 1435804768 /nfs/dbraw/zinc/80/47/68/1435804768.db2.gz WGQCTZKHIOVEPW-UHFFFAOYSA-N 2 2 399.445 3.051 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000281344405 1435804789 /nfs/dbraw/zinc/80/47/89/1435804789.db2.gz WJSUHPYQAYXIGG-HIFRSBDPSA-N 2 2 390.478 3.392 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000281344405 1435804790 /nfs/dbraw/zinc/80/47/90/1435804790.db2.gz WJSUHPYQAYXIGG-HIFRSBDPSA-N 2 2 390.478 3.392 20 0 GGADLP CN(CCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C(=O)OC(C)(C)C ZINC000281363152 1435805656 /nfs/dbraw/zinc/80/56/56/1435805656.db2.gz SORZOWGKJBUNRM-UHFFFAOYSA-N 2 2 390.572 3.277 20 0 GGADLP CN(CCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1)C(=O)OC(C)(C)C ZINC000281363152 1435805657 /nfs/dbraw/zinc/80/56/57/1435805657.db2.gz SORZOWGKJBUNRM-UHFFFAOYSA-N 2 2 390.572 3.277 20 0 GGADLP Cn1cc([C@@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc2)cn1 ZINC000281972167 1435829162 /nfs/dbraw/zinc/82/91/62/1435829162.db2.gz NYYZRFJFYIWUCK-QHCPKHFHSA-N 2 2 376.504 3.132 20 0 GGADLP CSc1ccc([C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000282191058 1435837940 /nfs/dbraw/zinc/83/79/40/1435837940.db2.gz KTRXBLLSVRNWDB-INIZCTEOSA-N 2 2 378.586 3.137 20 0 GGADLP CSc1ccc([C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000282191058 1435837941 /nfs/dbraw/zinc/83/79/41/1435837941.db2.gz KTRXBLLSVRNWDB-INIZCTEOSA-N 2 2 378.586 3.137 20 0 GGADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)s2)cn1 ZINC000282272610 1435841041 /nfs/dbraw/zinc/84/10/41/1435841041.db2.gz OWOLRSNQVTZERR-TZIWHRDSSA-N 2 2 396.560 3.121 20 0 GGADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3CO)s2)cn1 ZINC000282272610 1435841043 /nfs/dbraw/zinc/84/10/43/1435841043.db2.gz OWOLRSNQVTZERR-TZIWHRDSSA-N 2 2 396.560 3.121 20 0 GGADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)s2)cn1 ZINC000282272602 1435841125 /nfs/dbraw/zinc/84/11/25/1435841125.db2.gz OWOLRSNQVTZERR-PZJWPPBQSA-N 2 2 396.560 3.121 20 0 GGADLP Cn1cc(-c2ccc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)s2)cn1 ZINC000282272602 1435841126 /nfs/dbraw/zinc/84/11/26/1435841126.db2.gz OWOLRSNQVTZERR-PZJWPPBQSA-N 2 2 396.560 3.121 20 0 GGADLP CSc1ccccc1[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000282520752 1435849979 /nfs/dbraw/zinc/84/99/79/1435849979.db2.gz QUDSKMVMCWEFAN-MRXNPFEDSA-N 2 2 378.586 3.137 20 0 GGADLP CSc1ccccc1[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000282520752 1435849980 /nfs/dbraw/zinc/84/99/80/1435849980.db2.gz QUDSKMVMCWEFAN-MRXNPFEDSA-N 2 2 378.586 3.137 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282778022 1435860029 /nfs/dbraw/zinc/86/00/29/1435860029.db2.gz OOFVLFFCKQZZPK-HXUWFJFHSA-N 2 2 383.540 3.215 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282778022 1435860030 /nfs/dbraw/zinc/86/00/30/1435860030.db2.gz OOFVLFFCKQZZPK-HXUWFJFHSA-N 2 2 383.540 3.215 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217640 1435879755 /nfs/dbraw/zinc/87/97/55/1435879755.db2.gz SCUXVVQQOAKYOU-PKOBYXMFSA-N 2 2 398.576 3.307 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217640 1435879756 /nfs/dbraw/zinc/87/97/56/1435879756.db2.gz SCUXVVQQOAKYOU-PKOBYXMFSA-N 2 2 398.576 3.307 20 0 GGADLP O=C1CCCCN1CC1CC[NH+](C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283915996 1435951363 /nfs/dbraw/zinc/95/13/63/1435951363.db2.gz CBQPKGMPXPIEEE-QHCPKHFHSA-N 2 2 399.579 3.002 20 0 GGADLP O=C1CCCCN1CC1CC[NH+](C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000283915996 1435951364 /nfs/dbraw/zinc/95/13/64/1435951364.db2.gz CBQPKGMPXPIEEE-QHCPKHFHSA-N 2 2 399.579 3.002 20 0 GGADLP c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5[NH2+]Cc6ccccc6[C@@H]5C4)c3C2)cc1 ZINC001164425664 718940980 /nfs/dbraw/zinc/94/09/80/718940980.db2.gz XIGUURAYNMIUSI-URXFXBBRSA-N 2 2 397.526 3.111 20 0 GGADLP c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5[NH2+]Cc6ccccc6[C@@H]5C4)c3C2)cc1 ZINC001164425664 718940984 /nfs/dbraw/zinc/94/09/84/718940984.db2.gz XIGUURAYNMIUSI-URXFXBBRSA-N 2 2 397.526 3.111 20 0 GGADLP c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@H]5c6ccccc6C[NH2+][C@@H]5C4)c3C2)cc1 ZINC001164425665 718941373 /nfs/dbraw/zinc/94/13/73/718941373.db2.gz XIGUURAYNMIUSI-XUZZJYLKSA-N 2 2 397.526 3.111 20 0 GGADLP c1ccc(C[N@H+]2CCc3ncnc(N4C[C@H]5c6ccccc6C[NH2+][C@@H]5C4)c3C2)cc1 ZINC001164425665 718941379 /nfs/dbraw/zinc/94/13/79/718941379.db2.gz XIGUURAYNMIUSI-XUZZJYLKSA-N 2 2 397.526 3.111 20 0 GGADLP Cc1cc(N2CCCC2)nc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164624790 719051209 /nfs/dbraw/zinc/05/12/09/719051209.db2.gz OYETVIWYMLONBQ-RTWAWAEBSA-N 2 2 377.536 3.486 20 0 GGADLP Cc1cc(N2CCCC2)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[nH+]1 ZINC001164624790 719051215 /nfs/dbraw/zinc/05/12/15/719051215.db2.gz OYETVIWYMLONBQ-RTWAWAEBSA-N 2 2 377.536 3.486 20 0 GGADLP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)CCCN3c2cccc(N3CCOCC3)[nH+]2)cc1 ZINC001164624224 719090448 /nfs/dbraw/zinc/09/04/48/719090448.db2.gz DONNKWDZEJIJQW-SFTDATJTSA-N 2 2 378.520 3.019 20 0 GGADLP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2cccc(N3CCOCC3)[nH+]2)cc1 ZINC001164624224 719090453 /nfs/dbraw/zinc/09/04/53/719090453.db2.gz DONNKWDZEJIJQW-SFTDATJTSA-N 2 2 378.520 3.019 20 0 GGADLP Nc1cc(Cl)[nH+]c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1 ZINC001164695020 719890832 /nfs/dbraw/zinc/89/08/32/719890832.db2.gz JKEOBNMXHCWGSF-UHFFFAOYSA-N 2 2 378.929 3.250 20 0 GGADLP Nc1cc(Cl)[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164695020 719890834 /nfs/dbraw/zinc/89/08/34/719890834.db2.gz JKEOBNMXHCWGSF-UHFFFAOYSA-N 2 2 378.929 3.250 20 0 GGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)ccc1OC)CC2 ZINC001164716989 720116614 /nfs/dbraw/zinc/11/66/14/720116614.db2.gz MWNAIBQPSDCQKC-HXUWFJFHSA-N 2 2 396.535 3.301 20 0 GGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]c(C)ccc1OC)CC2 ZINC001164716989 720116621 /nfs/dbraw/zinc/11/66/21/720116621.db2.gz MWNAIBQPSDCQKC-HXUWFJFHSA-N 2 2 396.535 3.301 20 0 GGADLP Cc1cccc2c1cc[nH+]c2N1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC[NH+](C)CC1 ZINC001164833027 720319670 /nfs/dbraw/zinc/31/96/70/720319670.db2.gz VWDPPSFXURFBED-VXKWHMMOSA-N 2 2 392.547 3.455 20 0 GGADLP CCSc1cc[nH+]c(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1 ZINC001164824981 720350066 /nfs/dbraw/zinc/35/00/66/720350066.db2.gz IIUSSDWXEPPHLX-MOPGFXCFSA-N 2 2 388.581 3.105 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001164831647 720354584 /nfs/dbraw/zinc/35/45/84/720354584.db2.gz ZKZJBRDQFYYCRT-PMACEKPBSA-N 2 2 384.568 3.291 20 0 GGADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(C(C)C)[nH+]1 ZINC001164833360 720511899 /nfs/dbraw/zinc/51/18/99/720511899.db2.gz DHJXYCJOTLTWFU-SVFBPWRDSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(C(C)C)[nH+]1 ZINC001164833360 720511903 /nfs/dbraw/zinc/51/19/03/720511903.db2.gz DHJXYCJOTLTWFU-SVFBPWRDSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164839138 720549421 /nfs/dbraw/zinc/54/94/21/720549421.db2.gz POTNQUQHRHZTEJ-GBESFXJTSA-N 2 2 393.539 3.149 20 0 GGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164839138 720549424 /nfs/dbraw/zinc/54/94/24/720549424.db2.gz POTNQUQHRHZTEJ-GBESFXJTSA-N 2 2 393.539 3.149 20 0 GGADLP COc1ccc2c(C)cc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)[nH+]c2c1 ZINC001164729610 720572779 /nfs/dbraw/zinc/57/27/79/720572779.db2.gz RQTHABXDJUHHFR-UHFFFAOYSA-N 2 2 391.519 3.407 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001164838132 720602648 /nfs/dbraw/zinc/60/26/48/720602648.db2.gz JRGSVBNHJCLOJA-VAMGGRTRSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001164838132 720602652 /nfs/dbraw/zinc/60/26/52/720602652.db2.gz JRGSVBNHJCLOJA-VAMGGRTRSA-N 2 2 382.556 3.483 20 0 GGADLP CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1 ZINC001164739780 720831993 /nfs/dbraw/zinc/83/19/93/720831993.db2.gz IKMNHPAAIFXAPP-PWRODBHTSA-N 2 2 380.540 3.176 20 0 GGADLP CC(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1 ZINC001164739780 720831994 /nfs/dbraw/zinc/83/19/94/720831994.db2.gz IKMNHPAAIFXAPP-PWRODBHTSA-N 2 2 380.540 3.176 20 0 GGADLP Cc1nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC001164858427 720929519 /nfs/dbraw/zinc/92/95/19/720929519.db2.gz NJDBLGWLRBSQIY-MRXNPFEDSA-N 2 2 383.544 3.003 20 0 GGADLP Cc1nc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC001164858427 720929532 /nfs/dbraw/zinc/92/95/32/720929532.db2.gz NJDBLGWLRBSQIY-MRXNPFEDSA-N 2 2 383.544 3.003 20 0 GGADLP Cc1nc(N2CCCC2)cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)[nH+]1 ZINC001164858427 720929539 /nfs/dbraw/zinc/92/95/39/720929539.db2.gz NJDBLGWLRBSQIY-MRXNPFEDSA-N 2 2 383.544 3.003 20 0 GGADLP Cc1nc(N2CCCC2)cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH+]1 ZINC001164858427 720929549 /nfs/dbraw/zinc/92/95/49/720929549.db2.gz NJDBLGWLRBSQIY-MRXNPFEDSA-N 2 2 383.544 3.003 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)[C@H]2C ZINC001164859472 721012894 /nfs/dbraw/zinc/01/28/94/721012894.db2.gz IJYYISSNNYTSJP-ROUUACIJSA-N 2 2 397.571 3.331 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)[C@H]2C ZINC001164859472 721012900 /nfs/dbraw/zinc/01/29/00/721012900.db2.gz IJYYISSNNYTSJP-ROUUACIJSA-N 2 2 397.571 3.331 20 0 GGADLP COc1ccc2c(C)cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH+]c2c1 ZINC001164772715 721160669 /nfs/dbraw/zinc/16/06/69/721160669.db2.gz VRKYGYIBYZEAHS-OALUTQOASA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2c(C)cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)[nH+]c2c1 ZINC001164772715 721160676 /nfs/dbraw/zinc/16/06/76/721160676.db2.gz VRKYGYIBYZEAHS-OALUTQOASA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2c(C)cc(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c2c1 ZINC001164772716 721161050 /nfs/dbraw/zinc/16/10/50/721161050.db2.gz VRKYGYIBYZEAHS-RBUKOAKNSA-N 2 2 391.519 3.244 20 0 GGADLP COc1ccc2c(C)cc(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)[nH+]c2c1 ZINC001164772716 721161055 /nfs/dbraw/zinc/16/10/55/721161055.db2.gz VRKYGYIBYZEAHS-RBUKOAKNSA-N 2 2 391.519 3.244 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1F ZINC001164765061 721238434 /nfs/dbraw/zinc/23/84/34/721238434.db2.gz QOEWOZUVIHCCAN-ZWKOTPCHSA-N 2 2 395.482 3.074 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c2cc1F ZINC001164765061 721238439 /nfs/dbraw/zinc/23/84/39/721238439.db2.gz QOEWOZUVIHCCAN-ZWKOTPCHSA-N 2 2 395.482 3.074 20 0 GGADLP COc1ccc(CN(C)c2cc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)n2)cc1 ZINC001164775092 721301545 /nfs/dbraw/zinc/30/15/45/721301545.db2.gz PBKNHGHGWQXPKT-UHFFFAOYSA-N 2 2 393.535 3.044 20 0 GGADLP COc1ccc(CN(C)c2cc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)n2)cc1 ZINC001164775092 721301551 /nfs/dbraw/zinc/30/15/51/721301551.db2.gz PBKNHGHGWQXPKT-UHFFFAOYSA-N 2 2 393.535 3.044 20 0 GGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c([nH+]3)CCC4)C2)C1 ZINC001164779733 721344747 /nfs/dbraw/zinc/34/47/47/721344747.db2.gz VDDKPBAZURUZMA-HSZRJFAPSA-N 2 2 396.535 3.294 20 0 GGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c([nH+]3)CCC4)C2)C1 ZINC001164779733 721344750 /nfs/dbraw/zinc/34/47/50/721344750.db2.gz VDDKPBAZURUZMA-HSZRJFAPSA-N 2 2 396.535 3.294 20 0 GGADLP CCc1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)cc(C)[nH+]1 ZINC001164780703 721368010 /nfs/dbraw/zinc/36/80/10/721368010.db2.gz GQDMOAUKTNZDRI-JOCHJYFZSA-N 2 2 399.539 3.071 20 0 GGADLP CCc1nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)cc(C)[nH+]1 ZINC001164780703 721368013 /nfs/dbraw/zinc/36/80/13/721368013.db2.gz GQDMOAUKTNZDRI-JOCHJYFZSA-N 2 2 399.539 3.071 20 0 GGADLP Cc1cc2ccccc2c(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164883527 721423732 /nfs/dbraw/zinc/42/37/32/721423732.db2.gz APELPEAYEFXTGT-QPPBQGQZSA-N 2 2 394.563 3.309 20 0 GGADLP Cc1cc2ccccc2c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164883527 721423735 /nfs/dbraw/zinc/42/37/35/721423735.db2.gz APELPEAYEFXTGT-QPPBQGQZSA-N 2 2 394.563 3.309 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c2cc1F ZINC001164783893 721436171 /nfs/dbraw/zinc/43/61/71/721436171.db2.gz JWTGOSFFVNHIFA-GASCZTMLSA-N 2 2 384.480 3.407 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c2cc1F ZINC001164783893 721436174 /nfs/dbraw/zinc/43/61/74/721436174.db2.gz JWTGOSFFVNHIFA-GASCZTMLSA-N 2 2 384.480 3.407 20 0 GGADLP COc1cc2cc[nH+]c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c2cc1F ZINC001164783898 721436329 /nfs/dbraw/zinc/43/63/29/721436329.db2.gz JWTGOSFFVNHIFA-GJZGRUSLSA-N 2 2 384.480 3.407 20 0 GGADLP Cc1nc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(C(C)C)[nH+]1 ZINC001164806138 721530288 /nfs/dbraw/zinc/53/02/88/721530288.db2.gz OFDVYBGCBVSVBB-RZUBCFFCSA-N 2 2 381.524 3.172 20 0 GGADLP Cc1nc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)cc(C(C)C)[nH+]1 ZINC001164806138 721530291 /nfs/dbraw/zinc/53/02/91/721530291.db2.gz OFDVYBGCBVSVBB-RZUBCFFCSA-N 2 2 381.524 3.172 20 0 GGADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC1CC1 ZINC001165018628 721797835 /nfs/dbraw/zinc/79/78/35/721797835.db2.gz BQYVVZNDSTWSLU-WMQCIHAUSA-N 2 2 392.551 3.491 20 0 GGADLP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1NC1CC1 ZINC001165018628 721797838 /nfs/dbraw/zinc/79/78/38/721797838.db2.gz BQYVVZNDSTWSLU-WMQCIHAUSA-N 2 2 392.551 3.491 20 0 GGADLP Cc1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164939644 721920439 /nfs/dbraw/zinc/92/04/39/721920439.db2.gz WDGSFLJBFJYCIF-UHFFFAOYSA-N 2 2 391.519 3.446 20 0 GGADLP Cc1c[nH]c2nc[nH+]c(N3CCC4(CC3)C[N@@H+](Cc3ccc(C)cc3)CCO4)c12 ZINC001164939644 721920441 /nfs/dbraw/zinc/92/04/41/721920441.db2.gz WDGSFLJBFJYCIF-UHFFFAOYSA-N 2 2 391.519 3.446 20 0 GGADLP COc1cc2cc[nH+]c(N3CC[NH+](CCOc4ccccc4)CC3)c2cc1OC ZINC001165043816 721956604 /nfs/dbraw/zinc/95/66/04/721956604.db2.gz CYDBBKBASULTKR-UHFFFAOYSA-N 2 2 393.487 3.453 20 0 GGADLP Cc1ccc2c([nH+]1)N(Cc1cccnc1)CCN(c1cc(C[NH+](C)C)ccn1)C2 ZINC001164953470 722006679 /nfs/dbraw/zinc/00/66/79/722006679.db2.gz QVOVNBZXCFJCEB-UHFFFAOYSA-N 2 2 388.519 3.268 20 0 GGADLP Cc1c[nH+]c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1NC(C)C ZINC001164955083 722012347 /nfs/dbraw/zinc/01/23/47/722012347.db2.gz SWGLXFKNTJSMFF-UHFFFAOYSA-N 2 2 380.540 3.493 20 0 GGADLP Cc1c[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1NC(C)C ZINC001164955083 722012349 /nfs/dbraw/zinc/01/23/49/722012349.db2.gz SWGLXFKNTJSMFF-UHFFFAOYSA-N 2 2 380.540 3.493 20 0 GGADLP Cc1nc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)cc(C(C)C)[nH+]1 ZINC001164961910 722053130 /nfs/dbraw/zinc/05/31/30/722053130.db2.gz YCTUTVPUICTKIR-UHFFFAOYSA-N 2 2 395.551 3.422 20 0 GGADLP Cc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc(C(C)C)[nH+]1 ZINC001164961910 722053132 /nfs/dbraw/zinc/05/31/32/722053132.db2.gz YCTUTVPUICTKIR-UHFFFAOYSA-N 2 2 395.551 3.422 20 0 GGADLP c1cc(C[N@@H+]2CCOCC3(CCN(c4cc(C5CC5)cc[nH+]4)CC3)C2)ccn1 ZINC001164964988 722057299 /nfs/dbraw/zinc/05/72/99/722057299.db2.gz ZTVMWOWPVYJHKH-UHFFFAOYSA-N 2 2 378.520 3.473 20 0 GGADLP c1cc(C[N@H+]2CCOCC3(CCN(c4cc(C5CC5)cc[nH+]4)CC3)C2)ccn1 ZINC001164964988 722057301 /nfs/dbraw/zinc/05/73/01/722057301.db2.gz ZTVMWOWPVYJHKH-UHFFFAOYSA-N 2 2 378.520 3.473 20 0 GGADLP Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc(C(C)C)[nH+]1 ZINC001164960714 722059304 /nfs/dbraw/zinc/05/93/04/722059304.db2.gz JBDWCBJOYQWZNP-UHFFFAOYSA-N 2 2 395.551 3.422 20 0 GGADLP Cc1cc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc(C(C)C)[nH+]1 ZINC001164960714 722059305 /nfs/dbraw/zinc/05/93/05/722059305.db2.gz JBDWCBJOYQWZNP-UHFFFAOYSA-N 2 2 395.551 3.422 20 0 GGADLP CC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000821220508 945656103 /nfs/dbraw/zinc/65/61/03/945656103.db2.gz AVXUGSPUAJPDLI-UHFFFAOYSA-N 2 2 395.486 3.139 20 0 GGADLP CC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000821220508 945656111 /nfs/dbraw/zinc/65/61/11/945656111.db2.gz AVXUGSPUAJPDLI-UHFFFAOYSA-N 2 2 395.486 3.139 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545995 946786919 /nfs/dbraw/zinc/78/69/19/946786919.db2.gz FZLXPLPEQUGGEA-HNNXBMFYSA-N 2 2 380.471 3.321 20 0 GGADLP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825170802 947107202 /nfs/dbraw/zinc/10/72/02/947107202.db2.gz HVHWDJMYPYOAIU-VQTJNVASSA-N 2 2 398.555 3.014 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000826330805 947961275 /nfs/dbraw/zinc/96/12/75/947961275.db2.gz ISZAJLNBQJMXOX-ZDUSSCGKSA-N 2 2 377.427 3.351 20 0 GGADLP Clc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826352330 948101326 /nfs/dbraw/zinc/10/13/26/948101326.db2.gz XBTAYLHDILTJJJ-UHFFFAOYSA-N 2 2 396.926 3.317 20 0 GGADLP OC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001202074536 1126157186 /nfs/dbraw/zinc/15/71/86/1126157186.db2.gz ONHVBEGZZBURPE-LJQANCHMSA-N 2 2 385.895 3.309 20 0 GGADLP OC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCCn2cc[nH+]c2)c(Cl)c1 ZINC001657188079 1126259612 /nfs/dbraw/zinc/25/96/12/1126259612.db2.gz ONHVBEGZZBURPE-IBGZPJMESA-N 2 2 385.895 3.309 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000041063300 211390476 /nfs/dbraw/zinc/39/04/76/211390476.db2.gz FESDIUWMCHAQBO-UHFFFAOYSA-N 2 2 389.091 3.207 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000097164299 211360514 /nfs/dbraw/zinc/36/05/14/211360514.db2.gz USTUINYZBNOTHL-AEFFLSMTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C)cc2Cl)[C@H](C)C1 ZINC000097164299 211360518 /nfs/dbraw/zinc/36/05/18/211360518.db2.gz USTUINYZBNOTHL-AEFFLSMTSA-N 2 2 381.948 3.314 20 0 GGADLP CCn1c2cccc(F)c2nc1CN1CC[NH+](C2CC[NH+](C(C)C)CC2)CC1 ZINC000095432356 211241167 /nfs/dbraw/zinc/24/11/67/211241167.db2.gz PKYCSPWFURELBP-UHFFFAOYSA-N 2 2 387.547 3.186 20 0 GGADLP C[NH+](C)Cc1cc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)no1 ZINC000095456823 211242869 /nfs/dbraw/zinc/24/28/69/211242869.db2.gz LEGLNWSJTSWDLE-QGZVFWFLSA-N 2 2 394.878 3.096 20 0 GGADLP Cc1cc(N2CC[NH+](Cc3cc(=O)oc4cc(O)ccc34)CC2)nc(C(C)C)[nH+]1 ZINC000095961250 136182770 /nfs/dbraw/zinc/18/27/70/136182770.db2.gz RYSNXTMYMADVLV-UHFFFAOYSA-N 2 2 394.475 3.043 20 0 GGADLP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235069685 565935656 /nfs/dbraw/zinc/93/56/56/565935656.db2.gz CXHVIJHLJRHQPP-VIFPVBQESA-N 2 2 380.124 3.347 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]([NH3+])C(C)C ZINC000414794763 565960996 /nfs/dbraw/zinc/96/09/96/565960996.db2.gz MCWSUEBLGVVGLU-GFCCVEGCSA-N 2 2 380.124 3.293 20 0 GGADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000414794884 565961555 /nfs/dbraw/zinc/96/15/55/565961555.db2.gz GBEBVQVLYSMCRJ-JOYOIKCWSA-N 2 2 377.124 3.214 20 0 GGADLP Cc1cc(N(C)C)nc(NCc2c[nH+]c3c(C)cc(Br)cn23)[nH+]1 ZINC000507751230 564242253 /nfs/dbraw/zinc/24/22/53/564242253.db2.gz OMFMFDYYUOKQSR-UHFFFAOYSA-N 2 2 375.274 3.182 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118842731 564247597 /nfs/dbraw/zinc/24/75/97/564247597.db2.gz SZALXDIEZFPSFN-GFCCVEGCSA-N 2 2 388.737 3.315 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118842731 564247600 /nfs/dbraw/zinc/24/76/00/564247600.db2.gz SZALXDIEZFPSFN-GFCCVEGCSA-N 2 2 388.737 3.315 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842731 564247601 /nfs/dbraw/zinc/24/76/01/564247601.db2.gz SZALXDIEZFPSFN-GFCCVEGCSA-N 2 2 388.737 3.315 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(Br)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842731 564247602 /nfs/dbraw/zinc/24/76/02/564247602.db2.gz SZALXDIEZFPSFN-GFCCVEGCSA-N 2 2 388.737 3.315 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)s1 ZINC000119507584 564274345 /nfs/dbraw/zinc/27/43/45/564274345.db2.gz MTRMIIGNYIQUAA-CQSZACIVSA-N 2 2 378.929 3.186 20 0 GGADLP C[C@@H](C[NH2+]Cc1cc(Br)ccc1OC(F)F)C[NH+]1CCOCC1 ZINC000120312814 564314820 /nfs/dbraw/zinc/31/48/20/564314820.db2.gz DIZYEWNIHJPEAD-LBPRGKRZSA-N 2 2 393.272 3.108 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(Br)s1)C[N@@H+]1CCc2ccccc2C1 ZINC000030904049 564385440 /nfs/dbraw/zinc/38/54/40/564385440.db2.gz NBBKTHGDANLORO-OAHLLOKOSA-N 2 2 381.339 3.019 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(Br)s1)C[N@H+]1CCc2ccccc2C1 ZINC000030904049 564385443 /nfs/dbraw/zinc/38/54/43/564385443.db2.gz NBBKTHGDANLORO-OAHLLOKOSA-N 2 2 381.339 3.019 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(Br)cc1F)C[N@@H+]1CCc2ccccc2C1 ZINC000042227829 564444296 /nfs/dbraw/zinc/44/42/96/564444296.db2.gz VBFRYKCWAQARIY-GOSISDBHSA-N 2 2 393.300 3.097 20 0 GGADLP O[C@H](C[NH2+]Cc1ccc(Br)cc1F)C[N@H+]1CCc2ccccc2C1 ZINC000042227829 564444300 /nfs/dbraw/zinc/44/43/00/564444300.db2.gz VBFRYKCWAQARIY-GOSISDBHSA-N 2 2 393.300 3.097 20 0 GGADLP C[NH+](C)CCCC1CC[NH+]([C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000123674452 564457663 /nfs/dbraw/zinc/45/76/63/564457663.db2.gz XNMCQPDRGLTSSI-QGZVFWFLSA-N 2 2 382.346 3.029 20 0 GGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125830543 564527966 /nfs/dbraw/zinc/52/79/66/564527966.db2.gz NVBNSCAZTNAAJI-KRWDZBQOSA-N 2 2 387.281 3.195 20 0 GGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@@H](CO)c1cccc(Br)c1 ZINC000125830543 564527968 /nfs/dbraw/zinc/52/79/68/564527968.db2.gz NVBNSCAZTNAAJI-KRWDZBQOSA-N 2 2 387.281 3.195 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(F)c(Cl)cc3Cl)CC2)CC1 ZINC000050800785 564560306 /nfs/dbraw/zinc/56/03/06/564560306.db2.gz YWBQRWMAXCLNAF-UHFFFAOYSA-N 2 2 388.314 3.421 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000052452882 564572643 /nfs/dbraw/zinc/57/26/43/564572643.db2.gz FVHQQPOPDDAHJD-SFHVURJKSA-N 2 2 394.357 3.187 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000052452882 564572646 /nfs/dbraw/zinc/57/26/46/564572646.db2.gz FVHQQPOPDDAHJD-SFHVURJKSA-N 2 2 394.357 3.187 20 0 GGADLP C[NH+](C)CCC1CC[NH+](CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000056521990 564649831 /nfs/dbraw/zinc/64/98/31/564649831.db2.gz DCVSUQKLPCNIHV-UHFFFAOYSA-N 2 2 393.380 3.431 20 0 GGADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1Cl ZINC000129590274 564652965 /nfs/dbraw/zinc/65/29/65/564652965.db2.gz IOPSQODKMPXCAT-CYBMUJFWSA-N 2 2 380.323 3.386 20 0 GGADLP C[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000129588901 564653108 /nfs/dbraw/zinc/65/31/08/564653108.db2.gz KSGOMDDXHSQDDM-WFASDCNBSA-N 2 2 378.270 3.457 20 0 GGADLP C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000129588901 564653112 /nfs/dbraw/zinc/65/31/12/564653112.db2.gz KSGOMDDXHSQDDM-WFASDCNBSA-N 2 2 378.270 3.457 20 0 GGADLP CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000130324092 564677364 /nfs/dbraw/zinc/67/73/64/564677364.db2.gz DZRHPSRQWDRDNU-SJORKVTESA-N 2 2 377.941 3.354 20 0 GGADLP CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000130324092 564677371 /nfs/dbraw/zinc/67/73/71/564677371.db2.gz DZRHPSRQWDRDNU-SJORKVTESA-N 2 2 377.941 3.354 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000130865621 564694282 /nfs/dbraw/zinc/69/42/82/564694282.db2.gz HTORUAYZQNACFS-UHFFFAOYSA-N 2 2 383.265 3.054 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(Br)cc1F ZINC000130865621 564694285 /nfs/dbraw/zinc/69/42/85/564694285.db2.gz HTORUAYZQNACFS-UHFFFAOYSA-N 2 2 383.265 3.054 20 0 GGADLP C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+]1CCSCC1 ZINC000131114778 564701439 /nfs/dbraw/zinc/70/14/39/564701439.db2.gz SKPRZEMTQMVMDY-YJBOKZPZSA-N 2 2 381.973 3.030 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000131573219 564716856 /nfs/dbraw/zinc/71/68/56/564716856.db2.gz MMALKPZGFQVOFX-QGZVFWFLSA-N 2 2 381.973 3.236 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000131573219 564716858 /nfs/dbraw/zinc/71/68/58/564716858.db2.gz MMALKPZGFQVOFX-QGZVFWFLSA-N 2 2 381.973 3.236 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135298770 564826929 /nfs/dbraw/zinc/82/69/29/564826929.db2.gz TXOCLNXBDFFXBO-JTQLQIEISA-N 2 2 377.124 3.038 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135298770 564826931 /nfs/dbraw/zinc/82/69/31/564826931.db2.gz TXOCLNXBDFFXBO-JTQLQIEISA-N 2 2 377.124 3.038 20 0 GGADLP CC[C@@H]([NH2+]CCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(Cl)s1 ZINC000133723443 564783321 /nfs/dbraw/zinc/78/33/21/564783321.db2.gz UMZPHVNXKIWLLG-OAHLLOKOSA-N 2 2 379.961 3.445 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000134088732 564793441 /nfs/dbraw/zinc/79/34/41/564793441.db2.gz SRBYMQDWEVTMDS-MAUKXSAKSA-N 2 2 377.330 3.461 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134088333 564793521 /nfs/dbraw/zinc/79/35/21/564793521.db2.gz SRBYMQDWEVTMDS-YJBOKZPZSA-N 2 2 377.330 3.461 20 0 GGADLP COc1sc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000134084846 564793669 /nfs/dbraw/zinc/79/36/69/564793669.db2.gz VMHZZUFXGSPCCJ-UHFFFAOYSA-N 2 2 389.359 3.063 20 0 GGADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000134938411 564819307 /nfs/dbraw/zinc/81/93/07/564819307.db2.gz DFEUTLOUCABHDQ-KDOFPFPSSA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000134938411 564819309 /nfs/dbraw/zinc/81/93/09/564819309.db2.gz DFEUTLOUCABHDQ-KDOFPFPSSA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000134938411 564819312 /nfs/dbraw/zinc/81/93/12/564819312.db2.gz DFEUTLOUCABHDQ-KDOFPFPSSA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000134938411 564819315 /nfs/dbraw/zinc/81/93/15/564819315.db2.gz DFEUTLOUCABHDQ-KDOFPFPSSA-N 2 2 392.341 3.336 20 0 GGADLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135296840 564827004 /nfs/dbraw/zinc/82/70/04/564827004.db2.gz HHLWEQONJDKVFV-LLVKDONJSA-N 2 2 391.151 3.427 20 0 GGADLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000135296840 564827005 /nfs/dbraw/zinc/82/70/05/564827005.db2.gz HHLWEQONJDKVFV-LLVKDONJSA-N 2 2 391.151 3.427 20 0 GGADLP C[C@@H](C[NH2+]Cc1ncc(Br)cc1Br)C[NH+]1CCCC1 ZINC000135301496 564827932 /nfs/dbraw/zinc/82/79/32/564827932.db2.gz RJAKIQXKGSTDLT-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139902056 564870361 /nfs/dbraw/zinc/87/03/61/564870361.db2.gz CKGZTUAMTNCNGJ-RHSMWYFYSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139902056 564870364 /nfs/dbraw/zinc/87/03/64/564870364.db2.gz CKGZTUAMTNCNGJ-RHSMWYFYSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139902056 564870368 /nfs/dbraw/zinc/87/03/68/564870368.db2.gz CKGZTUAMTNCNGJ-RHSMWYFYSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000139902056 564870371 /nfs/dbraw/zinc/87/03/71/564870371.db2.gz CKGZTUAMTNCNGJ-RHSMWYFYSA-N 2 2 380.330 3.112 20 0 GGADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000093147454 564884683 /nfs/dbraw/zinc/88/46/83/564884683.db2.gz NBTQDRYNQDWODY-QGZVFWFLSA-N 2 2 376.595 3.474 20 0 GGADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cnc(-c3ccsc3)s2)CC1 ZINC000093147454 564884688 /nfs/dbraw/zinc/88/46/88/564884688.db2.gz NBTQDRYNQDWODY-QGZVFWFLSA-N 2 2 376.595 3.474 20 0 GGADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCCc1cccc(Cl)c1Cl ZINC000150751557 564889354 /nfs/dbraw/zinc/88/93/54/564889354.db2.gz GGOJTLLQSXSDSY-OAHLLOKOSA-N 2 2 384.351 3.070 20 0 GGADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NCCc1cccc(Cl)c1Cl ZINC000150751557 564889358 /nfs/dbraw/zinc/88/93/58/564889358.db2.gz GGOJTLLQSXSDSY-OAHLLOKOSA-N 2 2 384.351 3.070 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1OC ZINC000150750453 564889374 /nfs/dbraw/zinc/88/93/74/564889374.db2.gz MBGBUEINEOAXLZ-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(Br)c1OC ZINC000150750453 564889378 /nfs/dbraw/zinc/88/93/78/564889378.db2.gz MBGBUEINEOAXLZ-CQSZACIVSA-N 2 2 383.330 3.384 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791431 564890873 /nfs/dbraw/zinc/89/08/73/564890873.db2.gz XDBIEWWZALXNRJ-HUUCEWRRSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150791431 564890878 /nfs/dbraw/zinc/89/08/78/564890878.db2.gz XDBIEWWZALXNRJ-HUUCEWRRSA-N 2 2 380.330 3.194 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150808080 564891906 /nfs/dbraw/zinc/89/19/06/564891906.db2.gz MYTGLBDKFBGMAA-INIZCTEOSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150808080 564891910 /nfs/dbraw/zinc/89/19/10/564891910.db2.gz MYTGLBDKFBGMAA-INIZCTEOSA-N 2 2 384.351 3.370 20 0 GGADLP C[N@H+](CCC(F)(F)F)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101545454 564917364 /nfs/dbraw/zinc/91/73/64/564917364.db2.gz XWVBALMLBOMGQL-UHFFFAOYSA-N 2 2 375.460 3.058 20 0 GGADLP C[N@@H+](CCC(F)(F)F)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101545454 564917369 /nfs/dbraw/zinc/91/73/69/564917369.db2.gz XWVBALMLBOMGQL-UHFFFAOYSA-N 2 2 375.460 3.058 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC000152208608 564950809 /nfs/dbraw/zinc/95/08/09/564950809.db2.gz SQKKBMUCYVRASZ-SFHVURJKSA-N 2 2 394.357 3.187 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC000152208608 564950812 /nfs/dbraw/zinc/95/08/12/564950812.db2.gz SQKKBMUCYVRASZ-SFHVURJKSA-N 2 2 394.357 3.187 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1Br ZINC000152391608 564957981 /nfs/dbraw/zinc/95/79/81/564957981.db2.gz WQXGWGBSYAGTOI-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1Br ZINC000152391608 564957985 /nfs/dbraw/zinc/95/79/85/564957985.db2.gz WQXGWGBSYAGTOI-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1Br ZINC000152391608 564957988 /nfs/dbraw/zinc/95/79/88/564957988.db2.gz WQXGWGBSYAGTOI-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1Br ZINC000152391608 564957991 /nfs/dbraw/zinc/95/79/91/564957991.db2.gz WQXGWGBSYAGTOI-LSDHHAIUSA-N 2 2 382.346 3.358 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152418205 564958773 /nfs/dbraw/zinc/95/87/73/564958773.db2.gz OKRQIYZCAPVPFG-DOTOQJQBSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000152418205 564958776 /nfs/dbraw/zinc/95/87/76/564958776.db2.gz OKRQIYZCAPVPFG-DOTOQJQBSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152418205 564958778 /nfs/dbraw/zinc/95/87/78/564958778.db2.gz OKRQIYZCAPVPFG-DOTOQJQBSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152418205 564958779 /nfs/dbraw/zinc/95/87/79/564958779.db2.gz OKRQIYZCAPVPFG-DOTOQJQBSA-N 2 2 396.373 3.070 20 0 GGADLP C[N@@H+](Cc1nnc(-c2ccccc2Br)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152423192 564958808 /nfs/dbraw/zinc/95/88/08/564958808.db2.gz YNGIPUNIYQKYRQ-ZDUSSCGKSA-N 2 2 379.302 3.273 20 0 GGADLP C[N@H+](Cc1nnc(-c2ccccc2Br)o1)C[C@H]1CCC[NH+](C)C1 ZINC000152423192 564958812 /nfs/dbraw/zinc/95/88/12/564958812.db2.gz YNGIPUNIYQKYRQ-ZDUSSCGKSA-N 2 2 379.302 3.273 20 0 GGADLP C[NH+](Cc1nnc(-c2ccccc2Br)o1)C[C@H]1CCC[N@H+](C)C1 ZINC000152423192 564958814 /nfs/dbraw/zinc/95/88/14/564958814.db2.gz YNGIPUNIYQKYRQ-ZDUSSCGKSA-N 2 2 379.302 3.273 20 0 GGADLP C[NH+](Cc1nnc(-c2ccccc2Br)o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152423192 564958816 /nfs/dbraw/zinc/95/88/16/564958816.db2.gz YNGIPUNIYQKYRQ-ZDUSSCGKSA-N 2 2 379.302 3.273 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152989832 564980853 /nfs/dbraw/zinc/98/08/53/564980853.db2.gz GMKIQAMSYXMHKN-YJBOKZPZSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152989832 564980855 /nfs/dbraw/zinc/98/08/55/564980855.db2.gz GMKIQAMSYXMHKN-YJBOKZPZSA-N 2 2 377.330 3.288 20 0 GGADLP COCCC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000153196524 564987844 /nfs/dbraw/zinc/98/78/44/564987844.db2.gz XIIGXLAOAVCOSB-QFBILLFUSA-N 2 2 399.373 3.475 20 0 GGADLP Cc1nc(-c2ccc(Br)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154266375 565031809 /nfs/dbraw/zinc/03/18/09/565031809.db2.gz QWOWJFCXFNUWNF-ABAIWWIYSA-N 2 2 398.370 3.454 20 0 GGADLP CCC[NH+]1CCC([N@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000109786322 565032218 /nfs/dbraw/zinc/03/22/18/565032218.db2.gz DLSURXUYHUTTMV-OAHLLOKOSA-N 2 2 396.373 3.433 20 0 GGADLP CCC[NH+]1CCC([N@@H+](C)CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 ZINC000109786322 565032222 /nfs/dbraw/zinc/03/22/22/565032222.db2.gz DLSURXUYHUTTMV-OAHLLOKOSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(Br)cc1 ZINC000109792643 565032265 /nfs/dbraw/zinc/03/22/65/565032265.db2.gz BDXOAIAFVAMJAW-AWEZNQCLSA-N 2 2 391.313 3.160 20 0 GGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1F)c1ccccc1Br ZINC000154398594 565037428 /nfs/dbraw/zinc/03/74/28/565037428.db2.gz MKSLNUAEYZQILP-HNAYVOBHSA-N 2 2 395.316 3.384 20 0 GGADLP Brc1ccc(-c2c[nH]c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)n2)cc1 ZINC000112371780 565063411 /nfs/dbraw/zinc/06/34/11/565063411.db2.gz LJVPNSYAHUOYID-CYBMUJFWSA-N 2 2 375.314 3.413 20 0 GGADLP Brc1ccc(-c2c[nH]c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)n2)cc1 ZINC000112371780 565063414 /nfs/dbraw/zinc/06/34/14/565063414.db2.gz LJVPNSYAHUOYID-CYBMUJFWSA-N 2 2 375.314 3.413 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2Br)CC1 ZINC000114455808 565074822 /nfs/dbraw/zinc/07/48/22/565074822.db2.gz PWARACYKSOVWDQ-HNNXBMFYSA-N 2 2 396.373 3.431 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Br)CC1 ZINC000114455808 565074824 /nfs/dbraw/zinc/07/48/24/565074824.db2.gz PWARACYKSOVWDQ-HNNXBMFYSA-N 2 2 396.373 3.431 20 0 GGADLP C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000369274128 565085647 /nfs/dbraw/zinc/08/56/47/565085647.db2.gz MQDPNZBBXWQHLM-CABCVRRESA-N 2 2 381.973 3.105 20 0 GGADLP C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000369274128 565085652 /nfs/dbraw/zinc/08/56/52/565085652.db2.gz MQDPNZBBXWQHLM-CABCVRRESA-N 2 2 381.973 3.105 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000156409848 565085717 /nfs/dbraw/zinc/08/57/17/565085717.db2.gz VELJUBBFSOXYTF-CJNGLKHVSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Br)C[C@@H]1n1cc[nH+]c1 ZINC000156409848 565085719 /nfs/dbraw/zinc/08/57/19/565085719.db2.gz VELJUBBFSOXYTF-CJNGLKHVSA-N 2 2 377.286 3.167 20 0 GGADLP Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000156488439 565089654 /nfs/dbraw/zinc/08/96/54/565089654.db2.gz TUDMQCUOHCYJKC-RHSMWYFYSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000156488439 565089669 /nfs/dbraw/zinc/08/96/69/565089669.db2.gz TUDMQCUOHCYJKC-RHSMWYFYSA-N 2 2 391.313 3.476 20 0 GGADLP C[C@H](C[NH2+][C@H](c1ccco1)c1ccc(Br)cc1)N1CC[NH+](C)CC1 ZINC000183795616 565095156 /nfs/dbraw/zinc/09/51/56/565095156.db2.gz NXOUNUAZMPOIBW-BEFAXECRSA-N 2 2 392.341 3.357 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000266929014 565096570 /nfs/dbraw/zinc/09/65/70/565096570.db2.gz OACOFDLQEVCCOG-HIFRSBDPSA-N 2 2 391.313 3.229 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000266929014 565096575 /nfs/dbraw/zinc/09/65/75/565096575.db2.gz OACOFDLQEVCCOG-HIFRSBDPSA-N 2 2 391.313 3.229 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000266929016 565096698 /nfs/dbraw/zinc/09/66/98/565096698.db2.gz OACOFDLQEVCCOG-ZFWWWQNUSA-N 2 2 391.313 3.229 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccc(Br)cc1 ZINC000266929016 565096702 /nfs/dbraw/zinc/09/67/02/565096702.db2.gz OACOFDLQEVCCOG-ZFWWWQNUSA-N 2 2 391.313 3.229 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1Br ZINC000266956292 565098272 /nfs/dbraw/zinc/09/82/72/565098272.db2.gz VOWSSKPVGBEBSU-ZDUSSCGKSA-N 2 2 377.286 3.380 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1Br ZINC000266956292 565098276 /nfs/dbraw/zinc/09/82/76/565098276.db2.gz VOWSSKPVGBEBSU-ZDUSSCGKSA-N 2 2 377.286 3.380 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1Br ZINC000266956289 565098422 /nfs/dbraw/zinc/09/84/22/565098422.db2.gz VOWSSKPVGBEBSU-CYBMUJFWSA-N 2 2 377.286 3.380 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1)Nc1ccccc1Br ZINC000266956289 565098428 /nfs/dbraw/zinc/09/84/28/565098428.db2.gz VOWSSKPVGBEBSU-CYBMUJFWSA-N 2 2 377.286 3.380 20 0 GGADLP COc1c(Cl)cc(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1Cl ZINC000267277679 565113181 /nfs/dbraw/zinc/11/31/81/565113181.db2.gz GILOXOVVQLHXPS-UHFFFAOYSA-N 2 2 389.327 3.150 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267385138 565117013 /nfs/dbraw/zinc/11/70/13/565117013.db2.gz BKYCUTBTSKWTSX-OAHLLOKOSA-N 2 2 391.313 3.010 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000267385138 565117018 /nfs/dbraw/zinc/11/70/18/565117018.db2.gz BKYCUTBTSKWTSX-OAHLLOKOSA-N 2 2 391.313 3.010 20 0 GGADLP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267422363 565117214 /nfs/dbraw/zinc/11/72/14/565117214.db2.gz KXRVQQMPPUOROX-LBPRGKRZSA-N 2 2 397.342 3.072 20 0 GGADLP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267422363 565117222 /nfs/dbraw/zinc/11/72/22/565117222.db2.gz KXRVQQMPPUOROX-LBPRGKRZSA-N 2 2 397.342 3.072 20 0 GGADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccc(Br)c1 ZINC000370231645 565134756 /nfs/dbraw/zinc/13/47/56/565134756.db2.gz FHBBGJMSDYSETH-IBGZPJMESA-N 2 2 390.325 3.132 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Br)cc1 ZINC000292903239 565141029 /nfs/dbraw/zinc/14/10/29/565141029.db2.gz GTBXJIQFMFWNIB-DNVCBOLYSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Br)cc1 ZINC000292903239 565141034 /nfs/dbraw/zinc/14/10/34/565141034.db2.gz GTBXJIQFMFWNIB-DNVCBOLYSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Br)cc1 ZINC000292903239 565141039 /nfs/dbraw/zinc/14/10/39/565141039.db2.gz GTBXJIQFMFWNIB-DNVCBOLYSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(Br)cc1 ZINC000292903239 565141043 /nfs/dbraw/zinc/14/10/43/565141043.db2.gz GTBXJIQFMFWNIB-DNVCBOLYSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157785787 565143714 /nfs/dbraw/zinc/14/37/14/565143714.db2.gz FCGIJZQRLAKPSE-GUYCJALGSA-N 2 2 380.330 3.240 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157785787 565143718 /nfs/dbraw/zinc/14/37/18/565143718.db2.gz FCGIJZQRLAKPSE-GUYCJALGSA-N 2 2 380.330 3.240 20 0 GGADLP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000184576175 565145232 /nfs/dbraw/zinc/14/52/32/565145232.db2.gz UOANHDQXLHGJQY-RKVPGOIHSA-N 2 2 394.357 3.325 20 0 GGADLP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2=O)ccc1Br ZINC000184576175 565145234 /nfs/dbraw/zinc/14/52/34/565145234.db2.gz UOANHDQXLHGJQY-RKVPGOIHSA-N 2 2 394.357 3.325 20 0 GGADLP Cn1cc(Br)c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000293067120 565149473 /nfs/dbraw/zinc/14/94/73/565149473.db2.gz ZIQNNXFVKZKAIN-UHFFFAOYSA-N 2 2 392.345 3.316 20 0 GGADLP Cn1cc(Br)c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000293067120 565149479 /nfs/dbraw/zinc/14/94/79/565149479.db2.gz ZIQNNXFVKZKAIN-UHFFFAOYSA-N 2 2 392.345 3.316 20 0 GGADLP CSCc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)s1 ZINC000293173865 565154254 /nfs/dbraw/zinc/15/42/54/565154254.db2.gz GRZIURYTUJHHGX-QGZVFWFLSA-N 2 2 377.579 3.253 20 0 GGADLP CSCc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)s1 ZINC000293173865 565154259 /nfs/dbraw/zinc/15/42/59/565154259.db2.gz GRZIURYTUJHHGX-QGZVFWFLSA-N 2 2 377.579 3.253 20 0 GGADLP CSCc1cnc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)s1 ZINC000293173850 565154801 /nfs/dbraw/zinc/15/48/01/565154801.db2.gz GRZIURYTUJHHGX-KRWDZBQOSA-N 2 2 377.579 3.253 20 0 GGADLP CSCc1cnc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)s1 ZINC000293173850 565154807 /nfs/dbraw/zinc/15/48/07/565154807.db2.gz GRZIURYTUJHHGX-KRWDZBQOSA-N 2 2 377.579 3.253 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Br ZINC000370708761 565158998 /nfs/dbraw/zinc/15/89/98/565158998.db2.gz ICWASMPQGDCMNI-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Br ZINC000370708761 565159003 /nfs/dbraw/zinc/15/90/03/565159003.db2.gz ICWASMPQGDCMNI-APWZRJJASA-N 2 2 380.374 3.215 20 0 GGADLP CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000370830134 565163336 /nfs/dbraw/zinc/16/33/36/565163336.db2.gz LFWIXQJPEOEFMQ-MRXNPFEDSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000370830134 565163340 /nfs/dbraw/zinc/16/33/40/565163340.db2.gz LFWIXQJPEOEFMQ-MRXNPFEDSA-N 2 2 384.351 3.163 20 0 GGADLP CSc1ccc(Cl)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370841824 565164081 /nfs/dbraw/zinc/16/40/81/565164081.db2.gz OMMLNGNPWNZJQO-HNNXBMFYSA-N 2 2 381.973 3.302 20 0 GGADLP CSc1ccc(Cl)c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1 ZINC000370841824 565164085 /nfs/dbraw/zinc/16/40/85/565164085.db2.gz OMMLNGNPWNZJQO-HNNXBMFYSA-N 2 2 381.973 3.302 20 0 GGADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)ccc1S(=O)(=O)C(F)F ZINC000268752125 565167014 /nfs/dbraw/zinc/16/70/14/565167014.db2.gz IEXQUAMZHUZRPF-CYBMUJFWSA-N 2 2 378.485 3.072 20 0 GGADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)ccc1S(=O)(=O)C(F)F ZINC000268752125 565167018 /nfs/dbraw/zinc/16/70/18/565167018.db2.gz IEXQUAMZHUZRPF-CYBMUJFWSA-N 2 2 378.485 3.072 20 0 GGADLP CSCc1cnc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)s1 ZINC000293433520 565167459 /nfs/dbraw/zinc/16/74/59/565167459.db2.gz BKDUDLVGXGIYIX-UHFFFAOYSA-N 2 2 377.579 3.253 20 0 GGADLP CSCc1cnc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)s1 ZINC000293526531 565172250 /nfs/dbraw/zinc/17/22/50/565172250.db2.gz JBUXTVAOHZPAAD-UHFFFAOYSA-N 2 2 376.595 3.043 20 0 GGADLP CSCc1cnc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000293526531 565172252 /nfs/dbraw/zinc/17/22/52/565172252.db2.gz JBUXTVAOHZPAAD-UHFFFAOYSA-N 2 2 376.595 3.043 20 0 GGADLP Cc1cc(Br)cn2c(C[NH+]3CCC4(CC3)OCCCO4)c[nH+]c12 ZINC000293577926 565175192 /nfs/dbraw/zinc/17/51/92/565175192.db2.gz HNLKDUCVCSMEPP-UHFFFAOYSA-N 2 2 380.286 3.134 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)ccc3Br)C2)CC1 ZINC000371107290 565177244 /nfs/dbraw/zinc/17/72/44/565177244.db2.gz HUGVPTWPDVVWOB-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)ccc3Br)C2)CC1 ZINC000371107290 565177251 /nfs/dbraw/zinc/17/72/51/565177251.db2.gz HUGVPTWPDVVWOB-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP Cc1cc(C)c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(Br)c1 ZINC000269262231 565182919 /nfs/dbraw/zinc/18/29/19/565182919.db2.gz IIHQQFSDGBJEEQ-UHFFFAOYSA-N 2 2 397.361 3.213 20 0 GGADLP Cc1cc(N2CC[C@@H]([NH2+]Cc3cccc4[nH+]ccn43)C2=O)ccc1Br ZINC000185189840 565185515 /nfs/dbraw/zinc/18/55/15/565185515.db2.gz MREHSFYNFWTFSX-QGZVFWFLSA-N 2 2 399.292 3.300 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000158954296 565188671 /nfs/dbraw/zinc/18/86/71/565188671.db2.gz YQVNOBZASFCINF-RDJZCZTQSA-N 2 2 384.351 3.068 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000158954296 565188676 /nfs/dbraw/zinc/18/86/76/565188676.db2.gz YQVNOBZASFCINF-RDJZCZTQSA-N 2 2 384.351 3.068 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000158954296 565188683 /nfs/dbraw/zinc/18/86/83/565188683.db2.gz YQVNOBZASFCINF-RDJZCZTQSA-N 2 2 384.351 3.068 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@@H]21 ZINC000158954296 565188688 /nfs/dbraw/zinc/18/86/88/565188688.db2.gz YQVNOBZASFCINF-RDJZCZTQSA-N 2 2 384.351 3.068 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Br)c1OC ZINC000158973461 565189629 /nfs/dbraw/zinc/18/96/29/565189629.db2.gz PJQCCHWKRIUWLY-HIFRSBDPSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(Br)c1OC ZINC000158973461 565189631 /nfs/dbraw/zinc/18/96/31/565189631.db2.gz PJQCCHWKRIUWLY-HIFRSBDPSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(Br)c1OC ZINC000158973461 565189634 /nfs/dbraw/zinc/18/96/34/565189634.db2.gz PJQCCHWKRIUWLY-HIFRSBDPSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(Br)c1OC ZINC000158973461 565189640 /nfs/dbraw/zinc/18/96/40/565189640.db2.gz PJQCCHWKRIUWLY-HIFRSBDPSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Br)c1OC ZINC000158973301 565189744 /nfs/dbraw/zinc/18/97/44/565189744.db2.gz PJQCCHWKRIUWLY-ZFWWWQNUSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Br)c1OC ZINC000158973301 565189746 /nfs/dbraw/zinc/18/97/46/565189746.db2.gz PJQCCHWKRIUWLY-ZFWWWQNUSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Br)c1OC ZINC000158973301 565189751 /nfs/dbraw/zinc/18/97/51/565189751.db2.gz PJQCCHWKRIUWLY-ZFWWWQNUSA-N 2 2 383.330 3.382 20 0 GGADLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)c1OC ZINC000158973301 565189754 /nfs/dbraw/zinc/18/97/54/565189754.db2.gz PJQCCHWKRIUWLY-ZFWWWQNUSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@@]([NH3+])(C(=O)NCCCCNc1cccc[nH+]1)c1ccc(Br)cc1 ZINC000294045042 565196357 /nfs/dbraw/zinc/19/63/57/565196357.db2.gz IUZKVPHRVNCLGU-SFHVURJKSA-N 2 2 391.313 3.027 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccccc1Br ZINC000372392384 565234509 /nfs/dbraw/zinc/23/45/09/565234509.db2.gz WDMPUNJZZULACW-KYJSFNMBSA-N 2 2 383.330 3.011 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1ccccc1Br ZINC000372392384 565234513 /nfs/dbraw/zinc/23/45/13/565234513.db2.gz WDMPUNJZZULACW-KYJSFNMBSA-N 2 2 383.330 3.011 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccccc1Br ZINC000372392389 565235549 /nfs/dbraw/zinc/23/55/49/565235549.db2.gz WDMPUNJZZULACW-UWWQBHOKSA-N 2 2 383.330 3.011 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccccc1Br ZINC000372392389 565235551 /nfs/dbraw/zinc/23/55/51/565235551.db2.gz WDMPUNJZZULACW-UWWQBHOKSA-N 2 2 383.330 3.011 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(O)ccc3Br)CC2)CC1 ZINC000271225936 565244116 /nfs/dbraw/zinc/24/41/16/565244116.db2.gz QXMNWZLFLBMWIK-UHFFFAOYSA-N 2 2 396.373 3.145 20 0 GGADLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2Br)CC1)C(F)(F)F ZINC000271472126 565254747 /nfs/dbraw/zinc/25/47/47/565254747.db2.gz VXNJDMGCRKXIKH-OAHLLOKOSA-N 2 2 395.263 3.316 20 0 GGADLP Brc1ccc2[nH+]cc(C[N@@H+]3CCSC4(CCOCC4)C3)n2c1 ZINC000186487057 565263369 /nfs/dbraw/zinc/26/33/69/565263369.db2.gz MVOYJRXGMKVYEH-UHFFFAOYSA-N 2 2 382.327 3.195 20 0 GGADLP Brc1ccc2[nH+]cc(C[N@H+]3CCSC4(CCOCC4)C3)n2c1 ZINC000186487057 565263372 /nfs/dbraw/zinc/26/33/72/565263372.db2.gz MVOYJRXGMKVYEH-UHFFFAOYSA-N 2 2 382.327 3.195 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100559 565270470 /nfs/dbraw/zinc/27/04/70/565270470.db2.gz SKQNLUUHTOOEEQ-CJNGLKHVSA-N 2 2 382.277 3.235 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000373100559 565270472 /nfs/dbraw/zinc/27/04/72/565270472.db2.gz SKQNLUUHTOOEEQ-CJNGLKHVSA-N 2 2 382.277 3.235 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000373108841 565270817 /nfs/dbraw/zinc/27/08/17/565270817.db2.gz DNVZUIUFWJXEJZ-ZDUSSCGKSA-N 2 2 377.286 3.001 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000373108841 565270821 /nfs/dbraw/zinc/27/08/21/565270821.db2.gz DNVZUIUFWJXEJZ-ZDUSSCGKSA-N 2 2 377.286 3.001 20 0 GGADLP Clc1cccc(-n2cc[nH+]c2)c1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000295934432 565294137 /nfs/dbraw/zinc/29/41/37/565294137.db2.gz FWRATAVVNNLOBE-UHFFFAOYSA-N 2 2 376.869 3.317 20 0 GGADLP C[N@H+](CCC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000161884778 565296891 /nfs/dbraw/zinc/29/68/91/565296891.db2.gz RDMJRRGWJSLOHK-QGZVFWFLSA-N 2 2 382.346 3.220 20 0 GGADLP C[N@@H+](CCC[NH2+][C@@H](C(N)=O)c1cccc(Br)c1)C1CCCCC1 ZINC000161884778 565296896 /nfs/dbraw/zinc/29/68/96/565296896.db2.gz RDMJRRGWJSLOHK-QGZVFWFLSA-N 2 2 382.346 3.220 20 0 GGADLP Cc1cc(Br)cn2c(C[N@@H+]3CCS[C@H]4COCC[C@@H]43)c[nH+]c12 ZINC000273221466 565312723 /nfs/dbraw/zinc/31/27/23/565312723.db2.gz VKUZSNRNZDGRIM-GJZGRUSLSA-N 2 2 382.327 3.112 20 0 GGADLP Cc1cc(Br)cn2c(C[N@H+]3CCS[C@H]4COCC[C@@H]43)c[nH+]c12 ZINC000273221466 565312729 /nfs/dbraw/zinc/31/27/29/565312729.db2.gz VKUZSNRNZDGRIM-GJZGRUSLSA-N 2 2 382.327 3.112 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ncc(Br)cc1F ZINC000187224109 565316951 /nfs/dbraw/zinc/31/69/51/565316951.db2.gz QABDJGVAYLMGKQ-QWHCGFSZSA-N 2 2 386.309 3.135 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ncc(Br)cc1F ZINC000187224129 565317259 /nfs/dbraw/zinc/31/72/59/565317259.db2.gz QABDJGVAYLMGKQ-CHWSQXEVSA-N 2 2 386.309 3.135 20 0 GGADLP Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273391172 565319022 /nfs/dbraw/zinc/31/90/22/565319022.db2.gz DNZFKCKYUFILND-GFCCVEGCSA-N 2 2 376.302 3.340 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)CCn3cccn3)[nH+]c12 ZINC000273379934 565319031 /nfs/dbraw/zinc/31/90/31/565319031.db2.gz BXHNFRZXAMVNNR-AWEZNQCLSA-N 2 2 376.302 3.213 20 0 GGADLP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000187306890 565322044 /nfs/dbraw/zinc/32/20/44/565322044.db2.gz URAKKGFYFSVLLH-ROUUACIJSA-N 2 2 397.357 3.315 20 0 GGADLP Cc1nn(C)c(C)c1C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273485622 565322487 /nfs/dbraw/zinc/32/24/87/565322487.db2.gz MELLMZBXTOLREU-UHFFFAOYSA-N 2 2 376.302 3.088 20 0 GGADLP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ncc(Br)cc1F ZINC000187409024 565329633 /nfs/dbraw/zinc/32/96/33/565329633.db2.gz GXTIZSKPSRSVNM-LBPRGKRZSA-N 2 2 397.292 3.169 20 0 GGADLP Cc1cc(Br)cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000187488999 565336357 /nfs/dbraw/zinc/33/63/57/565336357.db2.gz OPXZFTDJKVFGQA-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Cc1cc(Br)cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000187488999 565336364 /nfs/dbraw/zinc/33/63/64/565336364.db2.gz OPXZFTDJKVFGQA-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(Br)ncc1F ZINC000273905374 565344410 /nfs/dbraw/zinc/34/44/10/565344410.db2.gz WPPIMZCAQIEPKQ-XZJROXQQSA-N 2 2 386.309 3.012 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(Br)ncc1F ZINC000273905366 565344418 /nfs/dbraw/zinc/34/44/18/565344418.db2.gz WPPIMZCAQIEPKQ-KNXALSJPSA-N 2 2 386.309 3.012 20 0 GGADLP COCCC[C@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297355351 565368691 /nfs/dbraw/zinc/36/86/91/565368691.db2.gz PJGLJSKXTDDSAO-MOPGFXCFSA-N 2 2 399.373 3.353 20 0 GGADLP COCCC[C@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297355351 565368695 /nfs/dbraw/zinc/36/86/95/565368695.db2.gz PJGLJSKXTDDSAO-MOPGFXCFSA-N 2 2 399.373 3.353 20 0 GGADLP CC[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(Cl)c(Cl)c1 ZINC000168904855 565381921 /nfs/dbraw/zinc/38/19/21/565381921.db2.gz MIPLOUDTCCKXQY-IBGZPJMESA-N 2 2 388.383 3.424 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000275003534 565389430 /nfs/dbraw/zinc/38/94/30/565389430.db2.gz ODXQYIQDDIYYJV-UHFFFAOYSA-N 2 2 376.302 3.363 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccc(Br)cc2n1C ZINC000275003534 565389441 /nfs/dbraw/zinc/38/94/41/565389441.db2.gz ODXQYIQDDIYYJV-UHFFFAOYSA-N 2 2 376.302 3.363 20 0 GGADLP C[C@H]1C[NH+](CC2CC[NH+](Cc3cncc(Br)c3)CC2)C[C@H](C)O1 ZINC000170780072 565392220 /nfs/dbraw/zinc/39/22/20/565392220.db2.gz KQPLWRYNOXNBGR-GJZGRUSLSA-N 2 2 382.346 3.165 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(F)cc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375813700 565406508 /nfs/dbraw/zinc/40/65/08/565406508.db2.gz KBJWOGUTNAWXJX-RDTXWAMCSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375813700 565406514 /nfs/dbraw/zinc/40/65/14/565406514.db2.gz KBJWOGUTNAWXJX-RDTXWAMCSA-N 2 2 384.337 3.046 20 0 GGADLP O[C@]1(C[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000188618723 565414338 /nfs/dbraw/zinc/41/43/38/565414338.db2.gz KTQLZDWBTGGKJZ-TZMCWYRMSA-N 2 2 376.385 3.476 20 0 GGADLP COc1cc(Br)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000376282968 565429904 /nfs/dbraw/zinc/42/99/04/565429904.db2.gz STMGQXCVORCKGS-GOSISDBHSA-N 2 2 396.373 3.058 20 0 GGADLP COc1cc(Br)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000376282968 565429909 /nfs/dbraw/zinc/42/99/09/565429909.db2.gz STMGQXCVORCKGS-GOSISDBHSA-N 2 2 396.373 3.058 20 0 GGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636888 565447079 /nfs/dbraw/zinc/44/70/79/565447079.db2.gz MHWDPWGLMDVDHH-GJYPPUQNSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636888 565447085 /nfs/dbraw/zinc/44/70/85/565447085.db2.gz MHWDPWGLMDVDHH-GJYPPUQNSA-N 2 2 380.374 3.468 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Br)c(Cl)c3)C2)CC1 ZINC000189239453 565453416 /nfs/dbraw/zinc/45/34/16/565453416.db2.gz GXVIJMIXOFVBDR-HNNXBMFYSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Br)c(Cl)c3)C2)CC1 ZINC000189239453 565453421 /nfs/dbraw/zinc/45/34/21/565453421.db2.gz GXVIJMIXOFVBDR-HNNXBMFYSA-N 2 2 386.765 3.314 20 0 GGADLP CN(Cc1csc(-c2cccs2)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376800175 565455126 /nfs/dbraw/zinc/45/51/26/565455126.db2.gz XLXUHZCLMAVFBW-KRWDZBQOSA-N 2 2 376.595 3.472 20 0 GGADLP CN(Cc1csc(-c2cccs2)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376800175 565455131 /nfs/dbraw/zinc/45/51/31/565455131.db2.gz XLXUHZCLMAVFBW-KRWDZBQOSA-N 2 2 376.595 3.472 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1Br ZINC000171974775 565459981 /nfs/dbraw/zinc/45/99/81/565459981.db2.gz MKNNYVZTKHAGFK-OAHLLOKOSA-N 2 2 389.341 3.447 20 0 GGADLP Cn1nc(Br)c2c1nc[nH+]c2NCCC[N@H+](C)Cc1ccccc1 ZINC000301149838 565467319 /nfs/dbraw/zinc/46/73/19/565467319.db2.gz CRFNDTYTDSEZOS-UHFFFAOYSA-N 2 2 389.301 3.060 20 0 GGADLP Cn1nc(Br)c2c1nc[nH+]c2NCCC[N@@H+](C)Cc1ccccc1 ZINC000301149838 565467324 /nfs/dbraw/zinc/46/73/24/565467324.db2.gz CRFNDTYTDSEZOS-UHFFFAOYSA-N 2 2 389.301 3.060 20 0 GGADLP Cn1nc(Br)c2c1nc[nH+]c2NCCC[N@H+](C)C1CCCCC1 ZINC000301171786 565469180 /nfs/dbraw/zinc/46/91/80/565469180.db2.gz UPTSLBHQRYXDLN-UHFFFAOYSA-N 2 2 381.322 3.192 20 0 GGADLP Cn1nc(Br)c2c1nc[nH+]c2NCCC[N@@H+](C)C1CCCCC1 ZINC000301171786 565469186 /nfs/dbraw/zinc/46/91/86/565469186.db2.gz UPTSLBHQRYXDLN-UHFFFAOYSA-N 2 2 381.322 3.192 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301531291 565493775 /nfs/dbraw/zinc/49/37/75/565493775.db2.gz LFSHWLWOQYPKAK-UHFFFAOYSA-N 3 2 377.330 3.435 20 0 GGADLP CC[NH+]1CCN([C@@H](C)CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301562547 565495820 /nfs/dbraw/zinc/49/58/20/565495820.db2.gz YGFJEACIUIPRGV-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP CCN1CC[NH+]([C@@H](C)CNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000301562547 565495826 /nfs/dbraw/zinc/49/58/26/565495826.db2.gz YGFJEACIUIPRGV-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cc3c(c(Br)c1)OCO3)CCC2 ZINC000377832221 565500703 /nfs/dbraw/zinc/50/07/03/565500703.db2.gz QMXBOVPGTDYYNX-CYBMUJFWSA-N 2 2 378.270 3.350 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cc3c(c(Br)c1)OCO3)CCC2 ZINC000377832222 565501206 /nfs/dbraw/zinc/50/12/06/565501206.db2.gz QMXBOVPGTDYYNX-ZDUSSCGKSA-N 2 2 378.270 3.350 20 0 GGADLP COc1cc(C[NH2+]C[C@@H]2CCCn3cc(C)[nH+]c32)cc(Br)c1O ZINC000377948447 565505229 /nfs/dbraw/zinc/50/52/29/565505229.db2.gz LRRFBVTWSDMACX-ZDUSSCGKSA-N 2 2 380.286 3.335 20 0 GGADLP C[C@@H]1C[N@H+](Cc2c(F)cccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378386833 565525120 /nfs/dbraw/zinc/52/51/20/565525120.db2.gz WIODUMWOKYLTFG-KDOFPFPSSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2c(F)cccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378386833 565525124 /nfs/dbraw/zinc/52/51/24/565525124.db2.gz WIODUMWOKYLTFG-KDOFPFPSSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ncc(I)s1 ZINC000302542397 565545031 /nfs/dbraw/zinc/54/50/31/565545031.db2.gz MLINVXTTWMHSEL-NSHDSACASA-N 2 2 379.311 3.102 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ncc(I)s1 ZINC000302542397 565545034 /nfs/dbraw/zinc/54/50/34/565545034.db2.gz MLINVXTTWMHSEL-NSHDSACASA-N 2 2 379.311 3.102 20 0 GGADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000302259130 565538442 /nfs/dbraw/zinc/53/84/42/565538442.db2.gz PDDSFNQMRPDSMK-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000302259130 565538446 /nfs/dbraw/zinc/53/84/46/565538446.db2.gz PDDSFNQMRPDSMK-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP Cc1nn(C)c(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)c1Br ZINC000379629247 565538910 /nfs/dbraw/zinc/53/89/10/565538910.db2.gz OOHLVSCFVFKGDD-CQSZACIVSA-N 2 2 379.346 3.491 20 0 GGADLP Cc1nn(C)c(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1Br ZINC000379629247 565538916 /nfs/dbraw/zinc/53/89/16/565538916.db2.gz OOHLVSCFVFKGDD-CQSZACIVSA-N 2 2 379.346 3.491 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000380931210 565541616 /nfs/dbraw/zinc/54/16/16/565541616.db2.gz GOSXVRGATODODX-CRAIPNDOSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+]1Cc1ccccc1 ZINC000380931210 565541621 /nfs/dbraw/zinc/54/16/21/565541621.db2.gz GOSXVRGATODODX-CRAIPNDOSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[N@@H+]1CC(C)(C)O ZINC000302478387 565543519 /nfs/dbraw/zinc/54/35/19/565543519.db2.gz FUDUGDHRAKXHJN-ZDUSSCGKSA-N 2 2 378.314 3.279 20 0 GGADLP C[C@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[N@H+]1CC(C)(C)O ZINC000302478387 565543522 /nfs/dbraw/zinc/54/35/22/565543522.db2.gz FUDUGDHRAKXHJN-ZDUSSCGKSA-N 2 2 378.314 3.279 20 0 GGADLP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1 ZINC000392270144 565564708 /nfs/dbraw/zinc/56/47/08/565564708.db2.gz BWXCJEBTBMWWRX-UHFFFAOYSA-N 2 2 390.119 3.269 20 0 GGADLP C[NH+](C)[C@@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1Cl ZINC000302780810 565557072 /nfs/dbraw/zinc/55/70/72/565557072.db2.gz ITUFWTQRLRCCNZ-INIZCTEOSA-N 2 2 377.945 3.398 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Br)c1 ZINC000391521651 565561464 /nfs/dbraw/zinc/56/14/64/565561464.db2.gz SNXVGBBMROBFDJ-RDJZCZTQSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(Br)c1 ZINC000391521651 565561468 /nfs/dbraw/zinc/56/14/68/565561468.db2.gz SNXVGBBMROBFDJ-RDJZCZTQSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(Br)c1 ZINC000391521651 565561471 /nfs/dbraw/zinc/56/14/71/565561471.db2.gz SNXVGBBMROBFDJ-RDJZCZTQSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000391521651 565561473 /nfs/dbraw/zinc/56/14/73/565561473.db2.gz SNXVGBBMROBFDJ-RDJZCZTQSA-N 2 2 381.314 3.152 20 0 GGADLP C[N@H+]1CC=C(C[NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1 ZINC000392270144 565564685 /nfs/dbraw/zinc/56/46/85/565564685.db2.gz BWXCJEBTBMWWRX-UHFFFAOYSA-N 2 2 390.119 3.269 20 0 GGADLP Brc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)o1 ZINC000190890952 565568200 /nfs/dbraw/zinc/56/82/00/565568200.db2.gz HZKRITMGFINMPL-UHFFFAOYSA-N 2 2 395.297 3.043 20 0 GGADLP C[C@@H](C[NH2+]Cc1c(Br)cncc1Br)C[NH+]1CCCC1 ZINC000394632450 565572176 /nfs/dbraw/zinc/57/21/76/565572176.db2.gz NWDYPTAUNGPSFO-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP Cc1[nH+]c2ccccc2n1CC[NH2+]Cc1ncc(I)s1 ZINC000312317857 565581913 /nfs/dbraw/zinc/58/19/13/565581913.db2.gz WWLGXALYIWDZQY-UHFFFAOYSA-N 2 2 398.273 3.196 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@H]1CC[NH3+] ZINC000404278270 565582541 /nfs/dbraw/zinc/58/25/41/565582541.db2.gz OGDMNWSWEPSFET-DOMZBBRYSA-N 2 2 379.302 3.448 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@H]1CC[NH3+] ZINC000404278270 565582547 /nfs/dbraw/zinc/58/25/47/565582547.db2.gz OGDMNWSWEPSFET-DOMZBBRYSA-N 2 2 379.302 3.448 20 0 GGADLP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@@H]1CC[NH3+] ZINC000404341098 565582731 /nfs/dbraw/zinc/58/27/31/565582731.db2.gz DWUPVHYOIQVZEU-XHDPSFHLSA-N 2 2 388.737 3.490 20 0 GGADLP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@@H]1CC[NH3+] ZINC000404341098 565582736 /nfs/dbraw/zinc/58/27/36/565582736.db2.gz DWUPVHYOIQVZEU-XHDPSFHLSA-N 2 2 388.737 3.490 20 0 GGADLP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405438770 565587225 /nfs/dbraw/zinc/58/72/25/565587225.db2.gz KKKIPUGOOFZYQW-NSHDSACASA-N 2 2 378.685 3.376 20 0 GGADLP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405438770 565587229 /nfs/dbraw/zinc/58/72/29/565587229.db2.gz KKKIPUGOOFZYQW-NSHDSACASA-N 2 2 378.685 3.376 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Br)c(Cl)s3)C2)CC1 ZINC000191330704 565596801 /nfs/dbraw/zinc/59/68/01/565596801.db2.gz DLHNLUBJHFLVRH-GFCCVEGCSA-N 2 2 392.794 3.376 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Br)c(Cl)s3)C2)CC1 ZINC000191330704 565596807 /nfs/dbraw/zinc/59/68/07/565596807.db2.gz DLHNLUBJHFLVRH-GFCCVEGCSA-N 2 2 392.794 3.376 20 0 GGADLP Cc1nn(C)c(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000279225836 565602536 /nfs/dbraw/zinc/60/25/36/565602536.db2.gz XZWJOSLDMHHNKU-UHFFFAOYSA-N 2 2 377.330 3.245 20 0 GGADLP COCCC[N@H+](C)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191518821 565610306 /nfs/dbraw/zinc/61/03/06/565610306.db2.gz UURHJDGUQIMUEN-IBGZPJMESA-N 2 2 399.373 3.475 20 0 GGADLP COCCC[N@@H+](C)CC[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191518821 565610311 /nfs/dbraw/zinc/61/03/11/565610311.db2.gz UURHJDGUQIMUEN-IBGZPJMESA-N 2 2 399.373 3.475 20 0 GGADLP C[C@H]1C[N@H+](CCCNc2cc[nH+]c3c(Br)ccc(F)c23)CCCO1 ZINC000409666155 565631467 /nfs/dbraw/zinc/63/14/67/565631467.db2.gz QBRQDZKCQSGLQC-ZDUSSCGKSA-N 2 2 396.304 3.471 20 0 GGADLP C[C@H]1C[N@@H+](CCCNc2cc[nH+]c3c(Br)ccc(F)c23)CCCO1 ZINC000409666155 565631470 /nfs/dbraw/zinc/63/14/70/565631470.db2.gz QBRQDZKCQSGLQC-ZDUSSCGKSA-N 2 2 396.304 3.471 20 0 GGADLP Cc1cc(Br)cn2cc(CNc3[nH+]c4cccc(F)c4n3C)[nH+]c12 ZINC000409722419 565636680 /nfs/dbraw/zinc/63/66/80/565636680.db2.gz VSYHGRNHZYSYTN-UHFFFAOYSA-N 2 2 388.244 3.465 20 0 GGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280065882 565649403 /nfs/dbraw/zinc/64/94/03/565649403.db2.gz KRVNIXXKRZTZIT-QJPTWQEYSA-N 2 2 394.368 3.164 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073865 565655034 /nfs/dbraw/zinc/65/50/34/565655034.db2.gz DCLGPDUISPUEBW-CRAIPNDOSA-N 2 2 394.357 3.218 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073865 565655040 /nfs/dbraw/zinc/65/50/40/565655040.db2.gz DCLGPDUISPUEBW-CRAIPNDOSA-N 2 2 394.357 3.218 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073857 565655430 /nfs/dbraw/zinc/65/54/30/565655430.db2.gz DCLGPDUISPUEBW-MAUKXSAKSA-N 2 2 394.357 3.218 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000192073857 565655434 /nfs/dbraw/zinc/65/54/34/565655434.db2.gz DCLGPDUISPUEBW-MAUKXSAKSA-N 2 2 394.357 3.218 20 0 GGADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1cccc(Br)c1 ZINC000192074149 565655519 /nfs/dbraw/zinc/65/55/19/565655519.db2.gz MWTMOBYHSYBLRX-KRWDZBQOSA-N 2 2 389.297 3.088 20 0 GGADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1cccc(Br)c1 ZINC000192074153 565655670 /nfs/dbraw/zinc/65/56/70/565655670.db2.gz MWTMOBYHSYBLRX-QGZVFWFLSA-N 2 2 389.297 3.088 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000280210301 565659132 /nfs/dbraw/zinc/65/91/32/565659132.db2.gz UBWHZJQRTPYZMF-SFHVURJKSA-N 2 2 385.321 3.476 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 ZINC000281342000 565724244 /nfs/dbraw/zinc/72/42/44/565724244.db2.gz MQBOXNQMBDGTNL-UHFFFAOYSA-N 2 2 377.291 3.280 20 0 GGADLP Brc1ccc(C[N@@H+](CCc2cncs2)CCn2cc[nH+]c2)o1 ZINC000411722164 565747766 /nfs/dbraw/zinc/74/77/66/565747766.db2.gz QGAFLQLIQRUPNJ-UHFFFAOYSA-N 2 2 381.299 3.440 20 0 GGADLP Brc1ccc(C[N@H+](CCc2cncs2)CCn2cc[nH+]c2)o1 ZINC000411722164 565747768 /nfs/dbraw/zinc/74/77/68/565747768.db2.gz QGAFLQLIQRUPNJ-UHFFFAOYSA-N 2 2 381.299 3.440 20 0 GGADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000282181836 565767980 /nfs/dbraw/zinc/76/79/80/565767980.db2.gz ZMMPFBAHNUQAKW-HZPDHXFCSA-N 2 2 389.284 3.195 20 0 GGADLP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000282181827 565768509 /nfs/dbraw/zinc/76/85/09/565768509.db2.gz ZMMPFBAHNUQAKW-CVEARBPZSA-N 2 2 389.284 3.195 20 0 GGADLP Cc1cc([C@H](C)[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)nn1C ZINC000282454769 565780659 /nfs/dbraw/zinc/78/06/59/565780659.db2.gz FOPKEXVGFIGYLD-ZDUSSCGKSA-N 2 2 376.302 3.340 20 0 GGADLP Cc1cc([C@@H](C)[NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)nn1C ZINC000282454765 565780868 /nfs/dbraw/zinc/78/08/68/565780868.db2.gz FOPKEXVGFIGYLD-CYBMUJFWSA-N 2 2 376.302 3.340 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331882947 565789094 /nfs/dbraw/zinc/78/90/94/565789094.db2.gz ITXLSMLVLBKDSM-LBPRGKRZSA-N 2 2 377.286 3.379 20 0 GGADLP O[C@H](C[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Br)c1 ZINC000283373509 565816979 /nfs/dbraw/zinc/81/69/79/565816979.db2.gz ODQRROOVYPFWRE-OAHLLOKOSA-N 2 2 395.263 3.489 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332214835 565816996 /nfs/dbraw/zinc/81/69/96/565816996.db2.gz YUOATSDKVVVFQD-ZDUSSCGKSA-N 2 2 377.286 3.299 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1Br ZINC000332214835 565817002 /nfs/dbraw/zinc/81/70/02/565817002.db2.gz YUOATSDKVVVFQD-ZDUSSCGKSA-N 2 2 377.286 3.299 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 ZINC000177121341 565829798 /nfs/dbraw/zinc/82/97/98/565829798.db2.gz ROOHGUUWJKKDCB-UHFFFAOYSA-N 2 2 383.323 3.231 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000177152704 565831740 /nfs/dbraw/zinc/83/17/40/565831740.db2.gz UHQRYWJLRHCBPP-DLBZAZTESA-N 2 2 384.351 3.239 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000177151436 565831899 /nfs/dbraw/zinc/83/18/99/565831899.db2.gz KGQYWLPIPBFFNU-CVEARBPZSA-N 2 2 384.351 3.239 20 0 GGADLP C[N@H+](Cc1cncc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258357 565838149 /nfs/dbraw/zinc/83/81/49/565838149.db2.gz YSBHNAUBRQMMBU-UHFFFAOYSA-N 2 2 389.341 3.378 20 0 GGADLP C[N@@H+](Cc1cncc(Br)c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258357 565838154 /nfs/dbraw/zinc/83/81/54/565838154.db2.gz YSBHNAUBRQMMBU-UHFFFAOYSA-N 2 2 389.341 3.378 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc(Br)c1 ZINC000177308737 565843229 /nfs/dbraw/zinc/84/32/29/565843229.db2.gz ODDQVHDHXVNWRI-SJORKVTESA-N 2 2 380.330 3.336 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1cccc(Br)c1 ZINC000177308737 565843234 /nfs/dbraw/zinc/84/32/34/565843234.db2.gz ODDQVHDHXVNWRI-SJORKVTESA-N 2 2 380.330 3.336 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(Br)c1 ZINC000177308737 565843240 /nfs/dbraw/zinc/84/32/40/565843240.db2.gz ODDQVHDHXVNWRI-SJORKVTESA-N 2 2 380.330 3.336 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1cccc(Br)c1 ZINC000177308737 565843245 /nfs/dbraw/zinc/84/32/45/565843245.db2.gz ODDQVHDHXVNWRI-SJORKVTESA-N 2 2 380.330 3.336 20 0 GGADLP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000332611027 565847591 /nfs/dbraw/zinc/84/75/91/565847591.db2.gz FTNBKKQVEHTHBM-CHWSQXEVSA-N 2 2 396.333 3.001 20 0 GGADLP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000332611027 565847595 /nfs/dbraw/zinc/84/75/95/565847595.db2.gz FTNBKKQVEHTHBM-CHWSQXEVSA-N 2 2 396.333 3.001 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]3CCO[C@@H]3c3cccnc3)c[nH+]c12 ZINC000284925071 565877411 /nfs/dbraw/zinc/87/74/11/565877411.db2.gz IXCJSRHHMNUZHC-DLBZAZTESA-N 2 2 387.281 3.420 20 0 GGADLP COc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@@H+]2C)cc1Br ZINC000221145074 565903609 /nfs/dbraw/zinc/90/36/09/565903609.db2.gz QTMHXTIDGLGHQE-LLVKDONJSA-N 2 2 392.135 3.404 20 0 GGADLP COc1c(Br)cc(C[NH2+]C[C@H]2CCC[N@H+]2C)cc1Br ZINC000221145074 565903612 /nfs/dbraw/zinc/90/36/12/565903612.db2.gz QTMHXTIDGLGHQE-LLVKDONJSA-N 2 2 392.135 3.404 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285441803 565907708 /nfs/dbraw/zinc/90/77/08/565907708.db2.gz IJDFXDVCVRWLFM-XYPWUTKMSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285441803 565907722 /nfs/dbraw/zinc/90/77/22/565907722.db2.gz IJDFXDVCVRWLFM-XYPWUTKMSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285441803 565907725 /nfs/dbraw/zinc/90/77/25/565907725.db2.gz IJDFXDVCVRWLFM-XYPWUTKMSA-N 2 2 380.330 3.253 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285441803 565907727 /nfs/dbraw/zinc/90/77/27/565907727.db2.gz IJDFXDVCVRWLFM-XYPWUTKMSA-N 2 2 380.330 3.253 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccncc3Br)[nH+]c2)CC1 ZINC000631093626 565939913 /nfs/dbraw/zinc/93/99/13/565939913.db2.gz MTFMSGNLBHONLS-UHFFFAOYSA-N 2 2 390.329 3.382 20 0 GGADLP Brc1ccc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000236691247 565942628 /nfs/dbraw/zinc/94/26/28/565942628.db2.gz URHZARNYKKSSGU-UHFFFAOYSA-N 2 2 378.314 3.344 20 0 GGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000236798262 565945706 /nfs/dbraw/zinc/94/57/06/565945706.db2.gz XGEWBPDIBNPNSB-GOSISDBHSA-N 2 2 395.341 3.171 20 0 GGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000236798262 565945710 /nfs/dbraw/zinc/94/57/10/565945710.db2.gz XGEWBPDIBNPNSB-GOSISDBHSA-N 2 2 395.341 3.171 20 0 GGADLP CC(C)(C)[NH2+]CC[NH+]1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000414741848 565957952 /nfs/dbraw/zinc/95/79/52/565957952.db2.gz HXVXMPJBKVSXJB-UHFFFAOYSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360690980 565960779 /nfs/dbraw/zinc/96/07/79/565960779.db2.gz KZNJNBWTUPIIMG-GJYPPUQNSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@@H](c1cccc(Br)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360690980 565960783 /nfs/dbraw/zinc/96/07/83/565960783.db2.gz KZNJNBWTUPIIMG-GJYPPUQNSA-N 2 2 380.374 3.468 20 0 GGADLP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000414794883 565960889 /nfs/dbraw/zinc/96/08/89/565960889.db2.gz GBEBVQVLYSMCRJ-CABZTGNLSA-N 2 2 377.124 3.214 20 0 GGADLP CC(C)[C@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414792475 565961367 /nfs/dbraw/zinc/96/13/67/565961367.db2.gz IXUITYVLINJIHF-QGZVFWFLSA-N 2 2 378.314 3.496 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1Br ZINC000414813057 565962378 /nfs/dbraw/zinc/96/23/78/565962378.db2.gz YCXQLGQUNOLERL-ZDUSSCGKSA-N 2 2 392.135 3.437 20 0 GGADLP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cncc(Br)c2)cc1 ZINC000414880356 565963793 /nfs/dbraw/zinc/96/37/93/565963793.db2.gz JOPMUFZRSJVHAA-ZWKOTPCHSA-N 2 2 376.298 3.088 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C2)cc1Br ZINC000414865540 565963917 /nfs/dbraw/zinc/96/39/17/565963917.db2.gz DCVRTKFYZFPPMP-SNVBAGLBSA-N 2 2 378.108 3.062 20 0 GGADLP C[C@H]([NH2+]Cc1ncc(Br)cc1Br)[C@H]1CCC[NH2+]C1 ZINC000414844291 565963976 /nfs/dbraw/zinc/96/39/76/565963976.db2.gz CQPSDNRUIFKOJG-UWVGGRQHSA-N 2 2 377.124 3.084 20 0 GGADLP [NH3+]C1(C[NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CCC1 ZINC000414875545 565964059 /nfs/dbraw/zinc/96/40/59/565964059.db2.gz JVMCGBHFHXKXBU-UHFFFAOYSA-N 2 2 376.298 3.394 20 0 GGADLP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc(Br)c1OC(F)F ZINC000414884783 565964225 /nfs/dbraw/zinc/96/42/25/565964225.db2.gz BGILEBUKXREJKT-GFCCVEGCSA-N 2 2 379.245 3.276 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414960213 565966810 /nfs/dbraw/zinc/96/68/10/565966810.db2.gz XZMMBEXHGSTSDF-CABZTGNLSA-N 2 2 392.135 3.450 20 0 GGADLP COC[C@@]1(C[NH2+]Cc2cc(Br)cc(C)c2OC(F)F)CCC[NH2+]1 ZINC000414935479 565965180 /nfs/dbraw/zinc/96/51/80/565965180.db2.gz ATVPDDOTKNMCEE-INIZCTEOSA-N 2 2 393.272 3.217 20 0 GGADLP CCOc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1Br ZINC000414894976 565965460 /nfs/dbraw/zinc/96/54/60/565965460.db2.gz MFQFKKMMXVBGRW-CYBMUJFWSA-N 2 2 392.135 3.437 20 0 GGADLP COC[C@@]1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCC[NH2+]1 ZINC000414949824 565966694 /nfs/dbraw/zinc/96/66/94/565966694.db2.gz DICLPLCPAOPIAU-AWEZNQCLSA-N 2 2 381.236 3.326 20 0 GGADLP COC[C@]1(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414947978 565966987 /nfs/dbraw/zinc/96/69/87/565966987.db2.gz WITOBISMKZVBAE-CQSZACIVSA-N 2 2 381.236 3.326 20 0 GGADLP COC[C@@]1(C[NH2+]Cc2ccc(Br)c(Br)c2)CCC[NH2+]1 ZINC000414946768 565967036 /nfs/dbraw/zinc/96/70/36/565967036.db2.gz SVVLKQWBCQDMAE-AWEZNQCLSA-N 2 2 392.135 3.070 20 0 GGADLP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cncc(Br)c2)cc1F ZINC000414950079 565967174 /nfs/dbraw/zinc/96/71/74/565967174.db2.gz FUEUUORRRWDLLV-YOEHRIQHSA-N 2 2 382.252 3.358 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414950399 565967270 /nfs/dbraw/zinc/96/72/70/565967270.db2.gz HNAKZSZURIIJFS-UGSOOPFHSA-N 2 2 377.330 3.482 20 0 GGADLP COC[C@@]1(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCC[NH2+]1 ZINC000414956282 565967378 /nfs/dbraw/zinc/96/73/78/565967378.db2.gz OPTCIAUEGHGMSQ-AWEZNQCLSA-N 2 2 397.235 3.206 20 0 GGADLP Fc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cncc(Br)c2)cc1F ZINC000414950073 565967464 /nfs/dbraw/zinc/96/74/64/565967464.db2.gz FUEUUORRRWDLLV-RHSMWYFYSA-N 2 2 382.252 3.358 20 0 GGADLP CCOc1c(Br)cc(C[NH2+]C[C@H]([NH3+])CC)cc1Br ZINC000414986176 565968405 /nfs/dbraw/zinc/96/84/05/565968405.db2.gz XNMUMSLGZLIADV-SNVBAGLBSA-N 2 2 380.124 3.437 20 0 GGADLP CCOc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]([NH3+])CC ZINC000414982218 565968471 /nfs/dbraw/zinc/96/84/71/565968471.db2.gz RWQZDVXIYXCWDF-NSHDSACASA-N 2 2 380.124 3.437 20 0 GGADLP CCOc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])CC)cc1Br ZINC000414986174 565968552 /nfs/dbraw/zinc/96/85/52/565968552.db2.gz XNMUMSLGZLIADV-JTQLQIEISA-N 2 2 380.124 3.437 20 0 GGADLP CC(C)c1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415047397 565972143 /nfs/dbraw/zinc/97/21/43/565972143.db2.gz YHORUVFTAGLYML-VQFNDLOPSA-N 2 2 375.314 3.066 20 0 GGADLP Brc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)ccc1OCc1ccccc1 ZINC000415091372 565972951 /nfs/dbraw/zinc/97/29/51/565972951.db2.gz CERFTEAMUQLEMB-QGZVFWFLSA-N 2 2 391.309 3.106 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415135435 565975619 /nfs/dbraw/zinc/97/56/19/565975619.db2.gz WRKZMYAYBDOQHM-ZBFHGGJFSA-N 2 2 385.346 3.281 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415135435 565975621 /nfs/dbraw/zinc/97/56/21/565975621.db2.gz WRKZMYAYBDOQHM-ZBFHGGJFSA-N 2 2 385.346 3.281 20 0 GGADLP C[C@H]1C[N@H+](Cc2cc(F)ccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704955 565981794 /nfs/dbraw/zinc/98/17/94/565981794.db2.gz WDDWDTYDZMJATJ-KBXCAEBGSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362704955 565981797 /nfs/dbraw/zinc/98/17/97/565981797.db2.gz WDDWDTYDZMJATJ-KBXCAEBGSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cc(F)ccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704956 565982488 /nfs/dbraw/zinc/98/24/88/565982488.db2.gz WDDWDTYDZMJATJ-KDOFPFPSSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362704956 565982489 /nfs/dbraw/zinc/98/24/89/565982489.db2.gz WDDWDTYDZMJATJ-KDOFPFPSSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1CC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000179477791 565982538 /nfs/dbraw/zinc/98/25/38/565982538.db2.gz OPJIHVNTJLNPMB-WFASDCNBSA-N 2 2 378.270 3.457 20 0 GGADLP C[C@H]1CC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1n1cc[nH+]c1 ZINC000179477791 565982544 /nfs/dbraw/zinc/98/25/44/565982544.db2.gz OPJIHVNTJLNPMB-WFASDCNBSA-N 2 2 378.270 3.457 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc(Br)c1 ZINC000362862358 565984651 /nfs/dbraw/zinc/98/46/51/565984651.db2.gz FHBZIULPIAYGGI-ZDUSSCGKSA-N 2 2 377.286 3.380 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1cccc(Br)c1 ZINC000362862358 565984657 /nfs/dbraw/zinc/98/46/57/565984657.db2.gz FHBZIULPIAYGGI-ZDUSSCGKSA-N 2 2 377.286 3.380 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245441868 565990162 /nfs/dbraw/zinc/99/01/62/565990162.db2.gz VURYSXFOIINOLX-HZPDHXFCSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245441868 565990169 /nfs/dbraw/zinc/99/01/69/565990169.db2.gz VURYSXFOIINOLX-HZPDHXFCSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245441868 565990173 /nfs/dbraw/zinc/99/01/73/565990173.db2.gz VURYSXFOIINOLX-HZPDHXFCSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000245441868 565990176 /nfs/dbraw/zinc/99/01/76/565990176.db2.gz VURYSXFOIINOLX-HZPDHXFCSA-N 2 2 396.373 3.290 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245438601 565990479 /nfs/dbraw/zinc/99/04/79/565990479.db2.gz SFJALWLDMJEIGH-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245438601 565990481 /nfs/dbraw/zinc/99/04/81/565990481.db2.gz SFJALWLDMJEIGH-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245438601 565990483 /nfs/dbraw/zinc/99/04/83/565990483.db2.gz SFJALWLDMJEIGH-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Br)cc2)C1 ZINC000245438601 565990484 /nfs/dbraw/zinc/99/04/84/565990484.db2.gz SFJALWLDMJEIGH-HUUCEWRRSA-N 2 2 382.346 3.440 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245445301 565990621 /nfs/dbraw/zinc/99/06/21/565990621.db2.gz KGKWJCLCDSHPMV-NVXWUHKLSA-N 2 2 396.373 3.070 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245445301 565990625 /nfs/dbraw/zinc/99/06/25/565990625.db2.gz KGKWJCLCDSHPMV-NVXWUHKLSA-N 2 2 396.373 3.070 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245445301 565990628 /nfs/dbraw/zinc/99/06/28/565990628.db2.gz KGKWJCLCDSHPMV-NVXWUHKLSA-N 2 2 396.373 3.070 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245445301 565990632 /nfs/dbraw/zinc/99/06/32/565990632.db2.gz KGKWJCLCDSHPMV-NVXWUHKLSA-N 2 2 396.373 3.070 20 0 GGADLP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCSC1 ZINC000245865623 566008057 /nfs/dbraw/zinc/00/80/57/566008057.db2.gz LJFWHSMGPHUDCQ-MAUKXSAKSA-N 2 2 381.973 3.030 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000246214090 566021118 /nfs/dbraw/zinc/02/11/18/566021118.db2.gz YJSAWYBLXFSVOS-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(Br)c1 ZINC000246214090 566021122 /nfs/dbraw/zinc/02/11/22/566021122.db2.gz YJSAWYBLXFSVOS-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(Br)c1 ZINC000246214090 566021126 /nfs/dbraw/zinc/02/11/26/566021126.db2.gz YJSAWYBLXFSVOS-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000246214090 566021129 /nfs/dbraw/zinc/02/11/29/566021129.db2.gz YJSAWYBLXFSVOS-CABCVRRESA-N 2 2 382.346 3.358 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000246252164 566023691 /nfs/dbraw/zinc/02/36/91/566023691.db2.gz WJXFNYRHFGNOLG-HOTGVXAUSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000246252164 566023694 /nfs/dbraw/zinc/02/36/94/566023694.db2.gz WJXFNYRHFGNOLG-HOTGVXAUSA-N 2 2 394.357 3.044 20 0 GGADLP CC[NH+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000363906489 566026083 /nfs/dbraw/zinc/02/60/83/566026083.db2.gz GQICHCSFBQPVQX-UHFFFAOYSA-N 2 2 396.373 3.294 20 0 GGADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC(C)(C)[NH+](C)C)CC1 ZINC000363905830 566026154 /nfs/dbraw/zinc/02/61/54/566026154.db2.gz DYEMQUSLKKWIQJ-UHFFFAOYSA-N 2 2 396.373 3.292 20 0 GGADLP CCOC(=O)C[N@H+](CCn1cc[nH+]c1)[C@@H](C)c1cccc(Br)c1 ZINC000180157496 566039120 /nfs/dbraw/zinc/03/91/20/566039120.db2.gz DREXCMCOVWGYSW-AWEZNQCLSA-N 2 2 380.286 3.272 20 0 GGADLP CCOC(=O)C[N@@H+](CCn1cc[nH+]c1)[C@@H](C)c1cccc(Br)c1 ZINC000180157496 566039123 /nfs/dbraw/zinc/03/91/23/566039123.db2.gz DREXCMCOVWGYSW-AWEZNQCLSA-N 2 2 380.286 3.272 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000246877612 566044664 /nfs/dbraw/zinc/04/46/64/566044664.db2.gz DGELEYPZDBHLCI-RVKKMQEKSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000246877612 566044667 /nfs/dbraw/zinc/04/46/67/566044667.db2.gz DGELEYPZDBHLCI-RVKKMQEKSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000246944381 566047333 /nfs/dbraw/zinc/04/73/33/566047333.db2.gz HAKFAFODWFRRNW-XJKCOSOUSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000246944381 566047337 /nfs/dbraw/zinc/04/73/37/566047337.db2.gz HAKFAFODWFRRNW-XJKCOSOUSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246962518 566048471 /nfs/dbraw/zinc/04/84/71/566048471.db2.gz OKRQIYZCAPVPFG-RDJZCZTQSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246962518 566048474 /nfs/dbraw/zinc/04/84/74/566048474.db2.gz OKRQIYZCAPVPFG-RDJZCZTQSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000246962518 566048477 /nfs/dbraw/zinc/04/84/77/566048477.db2.gz OKRQIYZCAPVPFG-RDJZCZTQSA-N 2 2 396.373 3.070 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246962518 566048480 /nfs/dbraw/zinc/04/84/80/566048480.db2.gz OKRQIYZCAPVPFG-RDJZCZTQSA-N 2 2 396.373 3.070 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247352961 566058927 /nfs/dbraw/zinc/05/89/27/566058927.db2.gz HBMLLLCGPXWXJY-GUYCJALGSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247352961 566058931 /nfs/dbraw/zinc/05/89/31/566058931.db2.gz HBMLLLCGPXWXJY-GUYCJALGSA-N 2 2 391.313 3.476 20 0 GGADLP Brc1ccc(OCC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000180451574 566064514 /nfs/dbraw/zinc/06/45/14/566064514.db2.gz FQRACBJAZQLVGR-UHFFFAOYSA-N 2 2 390.325 3.477 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000247731122 566065344 /nfs/dbraw/zinc/06/53/44/566065344.db2.gz VELJUBBFSOXYTF-CZUORRHYSA-N 2 2 377.286 3.167 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Br)C[C@H]1n1cc[nH+]c1 ZINC000247731122 566065348 /nfs/dbraw/zinc/06/53/48/566065348.db2.gz VELJUBBFSOXYTF-CZUORRHYSA-N 2 2 377.286 3.167 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c(F)cccc3Br)cn2)CC1 ZINC000180482982 566066332 /nfs/dbraw/zinc/06/63/32/566066332.db2.gz CSNULLDUQJAXDO-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000247922483 566068627 /nfs/dbraw/zinc/06/86/27/566068627.db2.gz BIFKXCNFXSVJIB-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000247922483 566068631 /nfs/dbraw/zinc/06/86/31/566068631.db2.gz BIFKXCNFXSVJIB-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000247922483 566068634 /nfs/dbraw/zinc/06/86/34/566068634.db2.gz BIFKXCNFXSVJIB-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000247922483 566068639 /nfs/dbraw/zinc/06/86/39/566068639.db2.gz BIFKXCNFXSVJIB-CZUORRHYSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000248181995 566073726 /nfs/dbraw/zinc/07/37/26/566073726.db2.gz WOFBTHHKDRBRQT-LESCRADOSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Br)cc1 ZINC000248181995 566073730 /nfs/dbraw/zinc/07/37/30/566073730.db2.gz WOFBTHHKDRBRQT-LESCRADOSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Br)cc1 ZINC000248181995 566073733 /nfs/dbraw/zinc/07/37/33/566073733.db2.gz WOFBTHHKDRBRQT-LESCRADOSA-N 2 2 394.357 3.042 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Br)cc1 ZINC000248181995 566073735 /nfs/dbraw/zinc/07/37/35/566073735.db2.gz WOFBTHHKDRBRQT-LESCRADOSA-N 2 2 394.357 3.042 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000180732518 566083626 /nfs/dbraw/zinc/08/36/26/566083626.db2.gz DAEVSUGSIHMCCP-ZBFHGGJFSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000180732518 566083629 /nfs/dbraw/zinc/08/36/29/566083629.db2.gz DAEVSUGSIHMCCP-ZBFHGGJFSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000180732518 566083635 /nfs/dbraw/zinc/08/36/35/566083635.db2.gz DAEVSUGSIHMCCP-ZBFHGGJFSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@@H]21 ZINC000180732518 566083641 /nfs/dbraw/zinc/08/36/41/566083641.db2.gz DAEVSUGSIHMCCP-ZBFHGGJFSA-N 2 2 381.314 3.136 20 0 GGADLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620018 566083911 /nfs/dbraw/zinc/08/39/11/566083911.db2.gz ZYFDXMKHLRDCOG-JCKWVBRZSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620018 566083914 /nfs/dbraw/zinc/08/39/14/566083914.db2.gz ZYFDXMKHLRDCOG-JCKWVBRZSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248831027 566090375 /nfs/dbraw/zinc/09/03/75/566090375.db2.gz MLRCWJFSGGGGBO-IIDMSEBBSA-N 2 2 377.330 3.144 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248831027 566090380 /nfs/dbraw/zinc/09/03/80/566090380.db2.gz MLRCWJFSGGGGBO-IIDMSEBBSA-N 2 2 377.330 3.144 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)ccc1Br ZINC000248872818 566090970 /nfs/dbraw/zinc/09/09/70/566090970.db2.gz QTUGBDWAADXZCB-VKJFTORMSA-N 2 2 392.341 3.079 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2=O)ccc1Br ZINC000248872818 566090972 /nfs/dbraw/zinc/09/09/72/566090972.db2.gz QTUGBDWAADXZCB-VKJFTORMSA-N 2 2 392.341 3.079 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249241873 566099098 /nfs/dbraw/zinc/09/90/98/566099098.db2.gz DCLGPDUISPUEBW-QAPCUYQASA-N 2 2 394.357 3.218 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249241873 566099102 /nfs/dbraw/zinc/09/91/02/566099102.db2.gz DCLGPDUISPUEBW-QAPCUYQASA-N 2 2 394.357 3.218 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249241877 566099590 /nfs/dbraw/zinc/09/95/90/566099590.db2.gz DCLGPDUISPUEBW-YJBOKZPZSA-N 2 2 394.357 3.218 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@H]2CCN(c3cccc(Br)c3)C2=O)C1 ZINC000249241877 566099591 /nfs/dbraw/zinc/09/95/91/566099591.db2.gz DCLGPDUISPUEBW-YJBOKZPZSA-N 2 2 394.357 3.218 20 0 GGADLP CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000181035126 566108527 /nfs/dbraw/zinc/10/85/27/566108527.db2.gz NZTMOBINRFUJAS-INIZCTEOSA-N 2 2 375.376 3.352 20 0 GGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181064100 566109756 /nfs/dbraw/zinc/10/97/56/566109756.db2.gz WAWSTHZNUHJPMW-GOSISDBHSA-N 2 2 399.292 3.293 20 0 GGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000181064100 566109760 /nfs/dbraw/zinc/10/97/60/566109760.db2.gz WAWSTHZNUHJPMW-GOSISDBHSA-N 2 2 399.292 3.293 20 0 GGADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3ncc(C4OCCO4)s3)C2)c1 ZINC000289186602 566111700 /nfs/dbraw/zinc/11/17/00/566111700.db2.gz GNENSKUKFJFHQD-CQSZACIVSA-N 2 2 379.551 3.252 20 0 GGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3ncc(C4OCCO4)s3)C2)c1 ZINC000289186602 566111703 /nfs/dbraw/zinc/11/17/03/566111703.db2.gz GNENSKUKFJFHQD-CQSZACIVSA-N 2 2 379.551 3.252 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365647546 566112515 /nfs/dbraw/zinc/11/25/15/566112515.db2.gz DGAOMNCTVWGEAN-CQSZACIVSA-N 2 2 391.313 3.309 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CCC[C@@H](c2[nH+]ccn2C)C1 ZINC000365647546 566112521 /nfs/dbraw/zinc/11/25/21/566112521.db2.gz DGAOMNCTVWGEAN-CQSZACIVSA-N 2 2 391.313 3.309 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2)ccc1Br ZINC000181095246 566113222 /nfs/dbraw/zinc/11/32/22/566113222.db2.gz DGLQQCIZXYUKTB-AWEZNQCLSA-N 2 2 379.302 3.303 20 0 GGADLP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2)ccc1Br ZINC000181095246 566113226 /nfs/dbraw/zinc/11/32/26/566113226.db2.gz DGLQQCIZXYUKTB-AWEZNQCLSA-N 2 2 379.302 3.303 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000252664124 566115645 /nfs/dbraw/zinc/11/56/45/566115645.db2.gz UVQJCYZROHYMLA-DYVFJYSZSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)ccc1Br ZINC000252664124 566115649 /nfs/dbraw/zinc/11/56/49/566115649.db2.gz UVQJCYZROHYMLA-DYVFJYSZSA-N 2 2 391.313 3.476 20 0 GGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000289322787 566117709 /nfs/dbraw/zinc/11/77/09/566117709.db2.gz KECGTOWDAAXNDZ-UHFFFAOYSA-N 2 2 377.286 3.051 20 0 GGADLP Cc1cc[nH+]cc1CCC[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000289322787 566117715 /nfs/dbraw/zinc/11/77/15/566117715.db2.gz KECGTOWDAAXNDZ-UHFFFAOYSA-N 2 2 377.286 3.051 20 0 GGADLP Fc1cccc([C@H]2C[NH2+]CCN2Cc2c[nH+]c3ccc(Br)cn23)c1 ZINC000261636983 566126527 /nfs/dbraw/zinc/12/65/27/566126527.db2.gz FXBXMJQCVTYEQV-QGZVFWFLSA-N 2 2 389.272 3.382 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1 ZINC000261723374 566130787 /nfs/dbraw/zinc/13/07/87/566130787.db2.gz MELDEVXJROPZBG-MRXNPFEDSA-N 2 2 380.330 3.160 20 0 GGADLP CCC[N@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CC[NH2+]CC1 ZINC000261762198 566133062 /nfs/dbraw/zinc/13/30/62/566133062.db2.gz QAUBIRIKNOOWFC-UHFFFAOYSA-N 2 2 379.302 3.463 20 0 GGADLP CCC[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CC[NH2+]CC1 ZINC000261762198 566133066 /nfs/dbraw/zinc/13/30/66/566133066.db2.gz QAUBIRIKNOOWFC-UHFFFAOYSA-N 2 2 379.302 3.463 20 0 GGADLP OC1CC[NH+](CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000289707245 566136965 /nfs/dbraw/zinc/13/69/65/566136965.db2.gz CCAAGLGXUKGLTM-UHFFFAOYSA-N 2 2 395.263 3.404 20 0 GGADLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000261840942 566137895 /nfs/dbraw/zinc/13/78/95/566137895.db2.gz ULIKJGFOFTZKEO-ZWKOTPCHSA-N 2 2 388.309 3.204 20 0 GGADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1c1ccccc1 ZINC000261840942 566137902 /nfs/dbraw/zinc/13/79/02/566137902.db2.gz ULIKJGFOFTZKEO-ZWKOTPCHSA-N 2 2 388.309 3.204 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ncc(Br)s1 ZINC000181416372 566139777 /nfs/dbraw/zinc/13/97/77/566139777.db2.gz QHHWIIIDSZSJIX-UBHSHLNASA-N 2 2 388.375 3.324 20 0 GGADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000261960186 566142077 /nfs/dbraw/zinc/14/20/77/566142077.db2.gz HDOOXDVBMZSCGQ-CQSZACIVSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(C(F)(F)F)ccc1Cl ZINC000261960186 566142081 /nfs/dbraw/zinc/14/20/81/566142081.db2.gz HDOOXDVBMZSCGQ-CQSZACIVSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1c1ccccc1 ZINC000262062763 566145768 /nfs/dbraw/zinc/14/57/68/566145768.db2.gz WANVTMITVGNWGO-DOTOQJQBSA-N 2 2 388.309 3.204 20 0 GGADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1c1ccccc1 ZINC000262062763 566145776 /nfs/dbraw/zinc/14/57/76/566145776.db2.gz WANVTMITVGNWGO-DOTOQJQBSA-N 2 2 388.309 3.204 20 0 GGADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000262074133 566145855 /nfs/dbraw/zinc/14/58/55/566145855.db2.gz SHKRBGPVIKAJEF-OAHLLOKOSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C(F)(F)F)c1 ZINC000262074133 566145863 /nfs/dbraw/zinc/14/58/63/566145863.db2.gz SHKRBGPVIKAJEF-OAHLLOKOSA-N 2 2 377.838 3.178 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3Cl)C[C@@H]21 ZINC000262108988 566147438 /nfs/dbraw/zinc/14/74/38/566147438.db2.gz JNWFMWXIKZRSCM-SCDSUCTJSA-N 2 2 386.721 3.100 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3Cl)C[C@@H]21 ZINC000262108988 566147440 /nfs/dbraw/zinc/14/74/40/566147440.db2.gz JNWFMWXIKZRSCM-SCDSUCTJSA-N 2 2 386.721 3.100 20 0 GGADLP C[C@@H](C[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000262382814 566152066 /nfs/dbraw/zinc/15/20/66/566152066.db2.gz NCCXWOCAOUPWFS-SUMWQHHRSA-N 2 2 377.941 3.212 20 0 GGADLP C[C@@H](C[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000262382814 566152067 /nfs/dbraw/zinc/15/20/67/566152067.db2.gz NCCXWOCAOUPWFS-SUMWQHHRSA-N 2 2 377.941 3.212 20 0 GGADLP C[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000262382813 566152135 /nfs/dbraw/zinc/15/21/35/566152135.db2.gz NCCXWOCAOUPWFS-GUYCJALGSA-N 2 2 377.941 3.212 20 0 GGADLP C[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000262382813 566152136 /nfs/dbraw/zinc/15/21/36/566152136.db2.gz NCCXWOCAOUPWFS-GUYCJALGSA-N 2 2 377.941 3.212 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnc([C@@H](C)O)s3)[nH+]c12 ZINC000290382475 566170165 /nfs/dbraw/zinc/17/01/65/566170165.db2.gz NZUIKRSGTRFQGC-LLVKDONJSA-N 2 2 395.326 3.247 20 0 GGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417869069 566178110 /nfs/dbraw/zinc/17/81/10/566178110.db2.gz HAOUNFGVHWYYIZ-GFCCVEGCSA-N 2 2 376.257 3.252 20 0 GGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000417869069 566178113 /nfs/dbraw/zinc/17/81/13/566178113.db2.gz HAOUNFGVHWYYIZ-GFCCVEGCSA-N 2 2 376.257 3.252 20 0 GGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290922288 566196278 /nfs/dbraw/zinc/19/62/78/566196278.db2.gz QSTHRNGBEAEFDO-DLBZAZTESA-N 2 2 380.319 3.361 20 0 GGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(Cl)c1Cl ZINC000290922288 566196283 /nfs/dbraw/zinc/19/62/83/566196283.db2.gz QSTHRNGBEAEFDO-DLBZAZTESA-N 2 2 380.319 3.361 20 0 GGADLP Clc1ccc(CCCC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)s1 ZINC000367438735 566200926 /nfs/dbraw/zinc/20/09/26/566200926.db2.gz OWNOLSUWEBDDHE-UHFFFAOYSA-N 2 2 386.005 3.110 20 0 GGADLP Clc1ccc(CCCC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)s1 ZINC000367438735 566200932 /nfs/dbraw/zinc/20/09/32/566200932.db2.gz OWNOLSUWEBDDHE-UHFFFAOYSA-N 2 2 386.005 3.110 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000367439109 566200997 /nfs/dbraw/zinc/20/09/97/566200997.db2.gz RNCNQRGIUFIOSK-ZDUSSCGKSA-N 2 2 391.313 3.489 20 0 GGADLP Brc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc2c1OCCCO2 ZINC000367416120 566201779 /nfs/dbraw/zinc/20/17/79/566201779.db2.gz SPBRDAZLOOTOKI-UHFFFAOYSA-N 2 2 392.297 3.433 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367601119 566208313 /nfs/dbraw/zinc/20/83/13/566208313.db2.gz DMLOAAHOMBMKAG-PBWFPOADSA-N 2 2 384.293 3.084 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367601119 566208318 /nfs/dbraw/zinc/20/83/18/566208318.db2.gz DMLOAAHOMBMKAG-PBWFPOADSA-N 2 2 384.293 3.084 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367601119 566208320 /nfs/dbraw/zinc/20/83/20/566208320.db2.gz DMLOAAHOMBMKAG-PBWFPOADSA-N 2 2 384.293 3.084 20 0 GGADLP C[NH+](CC(=O)Nc1ccc(Br)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367601119 566208324 /nfs/dbraw/zinc/20/83/24/566208324.db2.gz DMLOAAHOMBMKAG-PBWFPOADSA-N 2 2 384.293 3.084 20 0 GGADLP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000182798751 566225063 /nfs/dbraw/zinc/22/50/63/566225063.db2.gz BBOJBMPYFWODQV-INIZCTEOSA-N 2 2 377.330 3.415 20 0 GGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Br)c1 ZINC000368015208 566226321 /nfs/dbraw/zinc/22/63/21/566226321.db2.gz CBOYUADIVHLRMS-FHLIZLRMSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(Br)c1 ZINC000368015208 566226322 /nfs/dbraw/zinc/22/63/22/566226322.db2.gz CBOYUADIVHLRMS-FHLIZLRMSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Br)c1 ZINC000368015209 566226538 /nfs/dbraw/zinc/22/65/38/566226538.db2.gz CBOYUADIVHLRMS-JCGIZDLHSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(Br)c1 ZINC000368015209 566226542 /nfs/dbraw/zinc/22/65/42/566226542.db2.gz CBOYUADIVHLRMS-JCGIZDLHSA-N 2 2 383.330 3.141 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368020706 566227663 /nfs/dbraw/zinc/22/76/63/566227663.db2.gz WVLDTBKNIZFBKW-CJNGLKHVSA-N 2 2 379.551 3.423 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368020706 566227669 /nfs/dbraw/zinc/22/76/69/566227669.db2.gz WVLDTBKNIZFBKW-CJNGLKHVSA-N 2 2 379.551 3.423 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+](CCOc2ccc(Cl)cc2Br)CC1 ZINC000534846825 566258325 /nfs/dbraw/zinc/25/83/25/566258325.db2.gz QULFICWQPFFMCC-UHFFFAOYSA-N 2 2 399.720 3.037 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000481917780 566263424 /nfs/dbraw/zinc/26/34/24/566263424.db2.gz ZHZSZIGBXCQQKL-QGZVFWFLSA-N 2 2 387.977 3.163 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@@H](CC)c2ccc(Cl)c(S(=O)(=O)NC)c2)CC1 ZINC000481917779 566263611 /nfs/dbraw/zinc/26/36/11/566263611.db2.gz ZHZSZIGBXCQQKL-KRWDZBQOSA-N 2 2 387.977 3.163 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2cc3cc(Br)ccc3o2)CC1 ZINC000668791874 566266626 /nfs/dbraw/zinc/26/66/26/566266626.db2.gz CEJMNOGPMGGHKB-UHFFFAOYSA-N 2 2 375.270 3.251 20 0 GGADLP Cn1cc[nH+]c1N1CC[NH+](Cc2ccnc3c(Br)cccc23)CC1 ZINC000668793251 566267091 /nfs/dbraw/zinc/26/70/91/566267091.db2.gz VCBQARLAWDWOCF-UHFFFAOYSA-N 2 2 386.297 3.053 20 0 GGADLP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000535005870 566270414 /nfs/dbraw/zinc/27/04/14/566270414.db2.gz DVTDFSOAOXFMGL-QGZVFWFLSA-N 2 2 382.346 3.028 20 0 GGADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C(N)=O)c2cccc(Br)c2)CC1 ZINC000535005870 566270417 /nfs/dbraw/zinc/27/04/17/566270417.db2.gz DVTDFSOAOXFMGL-QGZVFWFLSA-N 2 2 382.346 3.028 20 0 GGADLP O=C(NCC[NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)c1cccs1 ZINC000575412022 566271255 /nfs/dbraw/zinc/27/12/55/566271255.db2.gz JIMRNTUVAIPERN-UHFFFAOYSA-N 2 2 377.941 3.386 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000481972458 566272507 /nfs/dbraw/zinc/27/25/07/566272507.db2.gz JFOCXYDITSNALU-STQMWFEESA-N 2 2 380.334 3.329 20 0 GGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420370693 566273418 /nfs/dbraw/zinc/27/34/18/566273418.db2.gz PBQJXCKSBAZBSW-IGCXYCKISA-N 2 2 375.314 3.382 20 0 GGADLP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420361040 566273564 /nfs/dbraw/zinc/27/35/64/566273564.db2.gz XSLMOMAAWRSDTL-ZDUSSCGKSA-N 2 2 390.329 3.084 20 0 GGADLP O=S(=O)(CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1cc(Cl)ccc1Cl ZINC000420344313 566273850 /nfs/dbraw/zinc/27/38/50/566273850.db2.gz SSLYZTGKXIWGSB-INIZCTEOSA-N 2 2 391.364 3.231 20 0 GGADLP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420370703 566274067 /nfs/dbraw/zinc/27/40/67/566274067.db2.gz PBQJXCKSBAZBSW-XNJGSVPQSA-N 2 2 375.314 3.382 20 0 GGADLP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420370697 566274322 /nfs/dbraw/zinc/27/43/22/566274322.db2.gz PBQJXCKSBAZBSW-IIYDPXPESA-N 2 2 375.314 3.382 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000535084018 566276912 /nfs/dbraw/zinc/27/69/12/566276912.db2.gz YXKXIONYQTUNDD-GFCCVEGCSA-N 2 2 395.276 3.140 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C1 ZINC000535084018 566276917 /nfs/dbraw/zinc/27/69/17/566276917.db2.gz YXKXIONYQTUNDD-GFCCVEGCSA-N 2 2 395.276 3.140 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](Cn3cccn3)C(C)C)[nH+]c12 ZINC000556244170 566277695 /nfs/dbraw/zinc/27/76/95/566277695.db2.gz YQFGDNPCRPHDJH-QGZVFWFLSA-N 2 2 390.329 3.459 20 0 GGADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C(N)=O)c1cccc(Br)c1 ZINC000482157689 566288935 /nfs/dbraw/zinc/28/89/35/566288935.db2.gz NBTVFZHLFUATFZ-RYQLBKOJSA-N 2 2 396.373 3.466 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208177 566289019 /nfs/dbraw/zinc/28/90/19/566289019.db2.gz NBZMHYQVRHIYRW-KBXCAEBGSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208177 566289027 /nfs/dbraw/zinc/28/90/27/566289027.db2.gz NBZMHYQVRHIYRW-KBXCAEBGSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208177 566289034 /nfs/dbraw/zinc/28/90/34/566289034.db2.gz NBZMHYQVRHIYRW-KBXCAEBGSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208177 566289041 /nfs/dbraw/zinc/28/90/41/566289041.db2.gz NBZMHYQVRHIYRW-KBXCAEBGSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208178 566289569 /nfs/dbraw/zinc/28/95/69/566289569.db2.gz NBZMHYQVRHIYRW-KDOFPFPSSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208178 566289576 /nfs/dbraw/zinc/28/95/76/566289576.db2.gz NBZMHYQVRHIYRW-KDOFPFPSSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208178 566289580 /nfs/dbraw/zinc/28/95/80/566289580.db2.gz NBZMHYQVRHIYRW-KDOFPFPSSA-N 2 2 394.357 3.366 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625208178 566289587 /nfs/dbraw/zinc/28/95/87/566289587.db2.gz NBZMHYQVRHIYRW-KDOFPFPSSA-N 2 2 394.357 3.366 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221493 566290797 /nfs/dbraw/zinc/29/07/97/566290797.db2.gz AYIXLZJVFAAOGN-OLMNPRSZSA-N 2 2 392.341 3.119 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221493 566290799 /nfs/dbraw/zinc/29/07/99/566290799.db2.gz AYIXLZJVFAAOGN-OLMNPRSZSA-N 2 2 392.341 3.119 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221493 566290807 /nfs/dbraw/zinc/29/08/07/566290807.db2.gz AYIXLZJVFAAOGN-OLMNPRSZSA-N 2 2 392.341 3.119 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@H]21 ZINC000625221493 566290812 /nfs/dbraw/zinc/29/08/12/566290812.db2.gz AYIXLZJVFAAOGN-OLMNPRSZSA-N 2 2 392.341 3.119 20 0 GGADLP COC1CC[NH+](CC[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000648500305 566292172 /nfs/dbraw/zinc/29/21/72/566292172.db2.gz UCBBWGSZDZTTRJ-UHFFFAOYSA-N 2 2 378.314 3.198 20 0 GGADLP CN(Cc1cccc(Br)c1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648585996 566296624 /nfs/dbraw/zinc/29/66/24/566296624.db2.gz IXGVPFZNXJXBDS-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1cccc(Br)c1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648585996 566296628 /nfs/dbraw/zinc/29/66/28/566296628.db2.gz IXGVPFZNXJXBDS-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@H+](Cc1cccc(Br)c1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585996 566296635 /nfs/dbraw/zinc/29/66/35/566296635.db2.gz IXGVPFZNXJXBDS-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@@H+](Cc1cccc(Br)c1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648585996 566296640 /nfs/dbraw/zinc/29/66/40/566296640.db2.gz IXGVPFZNXJXBDS-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462412147 566297442 /nfs/dbraw/zinc/29/74/42/566297442.db2.gz ZIRKCWCLLYBRDQ-BDJLRTHQSA-N 2 2 375.822 3.371 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462412147 566297445 /nfs/dbraw/zinc/29/74/45/566297445.db2.gz ZIRKCWCLLYBRDQ-BDJLRTHQSA-N 2 2 375.822 3.371 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625255963 566297794 /nfs/dbraw/zinc/29/77/94/566297794.db2.gz WGUAADRNTIZWOP-BBRMVZONSA-N 2 2 389.297 3.305 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000625255963 566297800 /nfs/dbraw/zinc/29/78/00/566297800.db2.gz WGUAADRNTIZWOP-BBRMVZONSA-N 2 2 389.297 3.305 20 0 GGADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000462420293 566300874 /nfs/dbraw/zinc/30/08/74/566300874.db2.gz USUCLGAJVVWDMD-MJGOQNOKSA-N 2 2 382.335 3.342 20 0 GGADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000462420293 566300881 /nfs/dbraw/zinc/30/08/81/566300881.db2.gz USUCLGAJVVWDMD-MJGOQNOKSA-N 2 2 382.335 3.342 20 0 GGADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000462420292 566301004 /nfs/dbraw/zinc/30/10/04/566301004.db2.gz USUCLGAJVVWDMD-IEBWSBKVSA-N 2 2 382.335 3.342 20 0 GGADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000462420292 566301012 /nfs/dbraw/zinc/30/10/12/566301012.db2.gz USUCLGAJVVWDMD-IEBWSBKVSA-N 2 2 382.335 3.342 20 0 GGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509459724 566306939 /nfs/dbraw/zinc/30/69/39/566306939.db2.gz OZUPAEHKGRBWAH-GOSISDBHSA-N 2 2 388.353 3.452 20 0 GGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)cc1 ZINC000509459724 566306947 /nfs/dbraw/zinc/30/69/47/566306947.db2.gz OZUPAEHKGRBWAH-GOSISDBHSA-N 2 2 388.353 3.452 20 0 GGADLP Cc1[nH+]cc(C[NH2+]C2CCN(Cc3cccc(Br)c3)CC2)n1C ZINC000576003778 566307086 /nfs/dbraw/zinc/30/70/86/566307086.db2.gz DWXSGPRISIXEGR-UHFFFAOYSA-N 2 2 377.330 3.245 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000576108101 566316253 /nfs/dbraw/zinc/31/62/53/566316253.db2.gz MSFBSPFNWDFWEZ-UFYCRDLUSA-N 2 2 376.953 3.361 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000576108101 566316261 /nfs/dbraw/zinc/31/62/61/566316261.db2.gz MSFBSPFNWDFWEZ-UFYCRDLUSA-N 2 2 376.953 3.361 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000576108102 566316687 /nfs/dbraw/zinc/31/66/87/566316687.db2.gz MSFBSPFNWDFWEZ-ZCNNSNEGSA-N 2 2 376.953 3.361 20 0 GGADLP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000576108102 566316690 /nfs/dbraw/zinc/31/66/90/566316690.db2.gz MSFBSPFNWDFWEZ-ZCNNSNEGSA-N 2 2 376.953 3.361 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CC[NH+](C[C@H]4CCCO4)CC3)c12 ZINC000669647752 566316896 /nfs/dbraw/zinc/31/68/96/566316896.db2.gz WBMOOKKMMZABQK-CYBMUJFWSA-N 2 2 394.288 3.437 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CC[NH+]([C@@H]4CCOC4)CC3)c12 ZINC000669654848 566317701 /nfs/dbraw/zinc/31/77/01/566317701.db2.gz WZDNFYBUDITBGL-GFCCVEGCSA-N 2 2 380.261 3.047 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000669690564 566320737 /nfs/dbraw/zinc/32/07/37/566320737.db2.gz PDVUHCWCXLLVMB-UHFFFAOYSA-N 2 2 398.364 3.362 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(F)cc(Br)cc3C2)CC1 ZINC000669690564 566320740 /nfs/dbraw/zinc/32/07/40/566320740.db2.gz PDVUHCWCXLLVMB-UHFFFAOYSA-N 2 2 398.364 3.362 20 0 GGADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000482621758 566323128 /nfs/dbraw/zinc/32/31/28/566323128.db2.gz UOSYWNNEQPKUPZ-WOSRLPQWSA-N 2 2 388.339 3.079 20 0 GGADLP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000482621758 566323134 /nfs/dbraw/zinc/32/31/34/566323134.db2.gz UOSYWNNEQPKUPZ-WOSRLPQWSA-N 2 2 388.339 3.079 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482621757 566323238 /nfs/dbraw/zinc/32/32/38/566323238.db2.gz UOSYWNNEQPKUPZ-HEHGZKQESA-N 2 2 388.339 3.079 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000482621757 566323248 /nfs/dbraw/zinc/32/32/48/566323248.db2.gz UOSYWNNEQPKUPZ-HEHGZKQESA-N 2 2 388.339 3.079 20 0 GGADLP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000482680889 566326624 /nfs/dbraw/zinc/32/66/24/566326624.db2.gz QDTMLYGYNJNOJZ-KRWDZBQOSA-N 2 2 384.337 3.190 20 0 GGADLP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(Cc2cc(Br)ccc2F)CC1 ZINC000482680889 566326626 /nfs/dbraw/zinc/32/66/26/566326626.db2.gz QDTMLYGYNJNOJZ-KRWDZBQOSA-N 2 2 384.337 3.190 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482750090 566329681 /nfs/dbraw/zinc/32/96/81/566329681.db2.gz BFRZRHCBONARCL-KDOFPFPSSA-N 2 2 385.321 3.258 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482741627 566329760 /nfs/dbraw/zinc/32/97/60/566329760.db2.gz GNIOZXOTFBXMBD-FUHWJXTLSA-N 2 2 397.357 3.345 20 0 GGADLP Cn1cc(Br)cc1C[N@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420928647 566329881 /nfs/dbraw/zinc/32/98/81/566329881.db2.gz BZKVMLNFAGMMIK-UHFFFAOYSA-N 2 2 392.341 3.252 20 0 GGADLP Cn1cc(Br)cc1C[N@@H+](C)Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000420928647 566329889 /nfs/dbraw/zinc/32/98/89/566329889.db2.gz BZKVMLNFAGMMIK-UHFFFAOYSA-N 2 2 392.341 3.252 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000482740592 566330487 /nfs/dbraw/zinc/33/04/87/566330487.db2.gz CSXWBNVDBLWSAH-MAUKXSAKSA-N 2 2 397.357 3.345 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482750088 566330541 /nfs/dbraw/zinc/33/05/41/566330541.db2.gz BFRZRHCBONARCL-KBXCAEBGSA-N 2 2 385.321 3.258 20 0 GGADLP CN(C(=O)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000625502044 566330706 /nfs/dbraw/zinc/33/07/06/566330706.db2.gz MKWMUVBCPVPAHW-GOSISDBHSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000625502044 566330714 /nfs/dbraw/zinc/33/07/14/566330714.db2.gz MKWMUVBCPVPAHW-GOSISDBHSA-N 2 2 384.351 3.163 20 0 GGADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)Nc1cc(Cl)ccc1Cl ZINC000625548322 566334055 /nfs/dbraw/zinc/33/40/55/566334055.db2.gz HXVZREYJPLBTGA-UHFFFAOYSA-N 2 2 386.323 3.119 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000536067719 566348596 /nfs/dbraw/zinc/34/85/96/566348596.db2.gz XCQXWNKPLPUZRZ-ZDUSSCGKSA-N 2 2 377.286 3.001 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000536067719 566348599 /nfs/dbraw/zinc/34/85/99/566348599.db2.gz XCQXWNKPLPUZRZ-ZDUSSCGKSA-N 2 2 377.286 3.001 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc(Br)cc2c1OCC2 ZINC000462790209 566352414 /nfs/dbraw/zinc/35/24/14/566352414.db2.gz HBVHRZOQPQLLPB-KZNAEPCWSA-N 2 2 395.341 3.068 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc(Br)cc2c1OCC2 ZINC000462790209 566352424 /nfs/dbraw/zinc/35/24/24/566352424.db2.gz HBVHRZOQPQLLPB-KZNAEPCWSA-N 2 2 395.341 3.068 20 0 GGADLP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2=O)c2ccccc21 ZINC000576626568 566364071 /nfs/dbraw/zinc/36/40/71/566364071.db2.gz MKPHNWXQXHNVEI-KURKYZTESA-N 2 2 386.293 3.289 20 0 GGADLP Oc1cccnc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000576671085 566368077 /nfs/dbraw/zinc/36/80/77/566368077.db2.gz YYHKQSIOEXHWFL-UHFFFAOYSA-N 2 2 377.242 3.042 20 0 GGADLP Oc1cccnc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000576671085 566368080 /nfs/dbraw/zinc/36/80/80/566368080.db2.gz YYHKQSIOEXHWFL-UHFFFAOYSA-N 2 2 377.242 3.042 20 0 GGADLP C[NH+](C)Cc1ccc(C[NH2+]Cc2ncc(I)s2)cc1 ZINC000510220484 566370323 /nfs/dbraw/zinc/37/03/23/566370323.db2.gz DJRFAJGEVIPCOU-UHFFFAOYSA-N 2 2 387.290 3.099 20 0 GGADLP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000462939295 566370718 /nfs/dbraw/zinc/37/07/18/566370718.db2.gz LOCVVQPDHOVIQJ-OFQRWUPVSA-N 2 2 385.346 3.344 20 0 GGADLP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000462939295 566370727 /nfs/dbraw/zinc/37/07/27/566370727.db2.gz LOCVVQPDHOVIQJ-OFQRWUPVSA-N 2 2 385.346 3.344 20 0 GGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000462956081 566371516 /nfs/dbraw/zinc/37/15/16/566371516.db2.gz YEJSDRASDRDIJV-IJEWVQPXSA-N 2 2 397.357 3.486 20 0 GGADLP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000462956081 566371524 /nfs/dbraw/zinc/37/15/24/566371524.db2.gz YEJSDRASDRDIJV-IJEWVQPXSA-N 2 2 397.357 3.486 20 0 GGADLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)C1 ZINC000462942059 566371609 /nfs/dbraw/zinc/37/16/09/566371609.db2.gz SLBDKFGXPKXGQS-JJRVBVJISA-N 2 2 385.346 3.201 20 0 GGADLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)C1 ZINC000462942059 566371614 /nfs/dbraw/zinc/37/16/14/566371614.db2.gz SLBDKFGXPKXGQS-JJRVBVJISA-N 2 2 385.346 3.201 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cnc(C(F)(F)F)s3)CC2)CC1 ZINC000421382854 566371841 /nfs/dbraw/zinc/37/18/41/566371841.db2.gz YPHHOAFLGXWAAU-UHFFFAOYSA-N 2 2 376.492 3.154 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cnc(C(F)(F)F)s3)CC2)CC1 ZINC000421382854 566371845 /nfs/dbraw/zinc/37/18/45/566371845.db2.gz YPHHOAFLGXWAAU-UHFFFAOYSA-N 2 2 376.492 3.154 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 ZINC000447066325 566383353 /nfs/dbraw/zinc/38/33/53/566383353.db2.gz DWYSJVKMMRTFJG-KRWDZBQOSA-N 2 2 380.330 3.018 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCN(c4cccc(Br)c4)C3=O)n2c1 ZINC000447074786 566384204 /nfs/dbraw/zinc/38/42/04/566384204.db2.gz CTJFLVBSPYFKEW-QGZVFWFLSA-N 2 2 399.292 3.300 20 0 GGADLP CC(C)[NH+]1CCC([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 ZINC000447081752 566385174 /nfs/dbraw/zinc/38/51/74/566385174.db2.gz IUULFUSRCNZNPL-UHFFFAOYSA-N 2 2 378.460 3.071 20 0 GGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Br)ccc(F)c12 ZINC000557426142 566386053 /nfs/dbraw/zinc/38/60/53/566386053.db2.gz FUQLKZXWECAVSM-QWHCGFSZSA-N 2 2 394.288 3.436 20 0 GGADLP FC(F)(F)CC[NH+]1CCC([NH2+]CCCCn2cc(Br)cn2)CC1 ZINC000463240906 566394436 /nfs/dbraw/zinc/39/44/36/566394436.db2.gz XLZHLRRXXJNBBX-UHFFFAOYSA-N 2 2 397.283 3.432 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000536692167 566394429 /nfs/dbraw/zinc/39/44/29/566394429.db2.gz AUUWRLUCCIGKBR-KRWDZBQOSA-N 2 2 395.345 3.030 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc3ccc(Br)cn23)C1 ZINC000536692167 566394433 /nfs/dbraw/zinc/39/44/33/566394433.db2.gz AUUWRLUCCIGKBR-KRWDZBQOSA-N 2 2 395.345 3.030 20 0 GGADLP Brc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985384 566395273 /nfs/dbraw/zinc/39/52/73/566395273.db2.gz BIFDWXLLBWDZDO-MRXNPFEDSA-N 2 2 383.330 3.015 20 0 GGADLP Brc1ccccc1OCC[N@H+]1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000670985384 566395284 /nfs/dbraw/zinc/39/52/84/566395284.db2.gz BIFDWXLLBWDZDO-MRXNPFEDSA-N 2 2 383.330 3.015 20 0 GGADLP Brc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985379 566395554 /nfs/dbraw/zinc/39/55/54/566395554.db2.gz BIFDWXLLBWDZDO-INIZCTEOSA-N 2 2 383.330 3.015 20 0 GGADLP Brc1ccccc1OCC[N@H+]1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670985379 566395558 /nfs/dbraw/zinc/39/55/58/566395558.db2.gz BIFDWXLLBWDZDO-INIZCTEOSA-N 2 2 383.330 3.015 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000536872505 566407232 /nfs/dbraw/zinc/40/72/32/566407232.db2.gz UUQLDKFKMYZXNH-SUMWQHHRSA-N 2 2 380.330 3.158 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000536872505 566407236 /nfs/dbraw/zinc/40/72/36/566407236.db2.gz UUQLDKFKMYZXNH-SUMWQHHRSA-N 2 2 380.330 3.158 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000536872482 566407371 /nfs/dbraw/zinc/40/73/71/566407371.db2.gz UUQLDKFKMYZXNH-CXAGYDPISA-N 2 2 380.330 3.158 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000536872482 566407374 /nfs/dbraw/zinc/40/73/74/566407374.db2.gz UUQLDKFKMYZXNH-CXAGYDPISA-N 2 2 380.330 3.158 20 0 GGADLP C[NH+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC000447530607 566413725 /nfs/dbraw/zinc/41/37/25/566413725.db2.gz OPVUZOUKRINDJG-DOMZBBRYSA-N 2 2 395.263 3.431 20 0 GGADLP CC(C)[N@@H+]1CCc2nc(CNc3[nH+]c4cc(Cl)ccc4n3C)sc2C1 ZINC000463492795 566414367 /nfs/dbraw/zinc/41/43/67/566414367.db2.gz CJAWZXPTYNQKKW-UHFFFAOYSA-N 2 2 375.929 3.484 20 0 GGADLP CC(C)[N@H+]1CCc2nc(CNc3[nH+]c4cc(Cl)ccc4n3C)sc2C1 ZINC000463492795 566414373 /nfs/dbraw/zinc/41/43/73/566414373.db2.gz CJAWZXPTYNQKKW-UHFFFAOYSA-N 2 2 375.929 3.484 20 0 GGADLP COc1ccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510905432 566418303 /nfs/dbraw/zinc/41/83/03/566418303.db2.gz PQDCMPXVBLQMMR-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP COc1ccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510905432 566418307 /nfs/dbraw/zinc/41/83/07/566418307.db2.gz PQDCMPXVBLQMMR-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP CCn1cc(CC[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510970361 566424160 /nfs/dbraw/zinc/42/41/60/566424160.db2.gz SKQWGQGNNLJYGL-UHFFFAOYSA-N 2 2 392.301 3.200 20 0 GGADLP CCn1cc(CC[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)cn1 ZINC000510970361 566424164 /nfs/dbraw/zinc/42/41/64/566424164.db2.gz SKQWGQGNNLJYGL-UHFFFAOYSA-N 2 2 392.301 3.200 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CCc3ccc(Cl)s3)CC2)CC1 ZINC000422011528 566426363 /nfs/dbraw/zinc/42/63/63/566426363.db2.gz UTBMLIDLURWBPR-UHFFFAOYSA-N 2 2 383.989 3.353 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CCc3ccc(Cl)s3)CC2)CC1 ZINC000422011528 566426372 /nfs/dbraw/zinc/42/63/72/566426372.db2.gz UTBMLIDLURWBPR-UHFFFAOYSA-N 2 2 383.989 3.353 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(Br)c1 ZINC000537307586 566437443 /nfs/dbraw/zinc/43/74/43/566437443.db2.gz CCFRMKODIUELDU-MJXNMMHHSA-N 2 2 397.357 3.486 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000422626052 566459475 /nfs/dbraw/zinc/45/94/75/566459475.db2.gz DEYMPVANTCRNTA-GRYCIOLGSA-N 2 2 375.847 3.185 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000422626052 566459482 /nfs/dbraw/zinc/45/94/82/566459482.db2.gz DEYMPVANTCRNTA-GRYCIOLGSA-N 2 2 375.847 3.185 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C[C@@H]1C[NH3+] ZINC000422640241 566460868 /nfs/dbraw/zinc/46/08/68/566460868.db2.gz VEWVLYAKMKSYPZ-MXWKQRLJSA-N 2 2 385.331 3.366 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C[C@@H]1C[NH3+] ZINC000422640241 566460878 /nfs/dbraw/zinc/46/08/78/566460878.db2.gz VEWVLYAKMKSYPZ-MXWKQRLJSA-N 2 2 385.331 3.366 20 0 GGADLP CS(=O)(=O)c1cccc([C@H]([NH2+]C2CC[NH2+]CC2)c2ccc(Cl)cc2)c1 ZINC000422797509 566462766 /nfs/dbraw/zinc/46/27/66/566462766.db2.gz MZERXRAZOLOORV-LJQANCHMSA-N 2 2 378.925 3.175 20 0 GGADLP CCC[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@@H+]1CCOC ZINC000537707425 566464727 /nfs/dbraw/zinc/46/47/27/566464727.db2.gz ZUAAYNYKKLOERJ-MRXNPFEDSA-N 2 2 395.345 3.030 20 0 GGADLP CCC[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@H+]1CCOC ZINC000537707425 566464730 /nfs/dbraw/zinc/46/47/30/566464730.db2.gz ZUAAYNYKKLOERJ-MRXNPFEDSA-N 2 2 395.345 3.030 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)s1 ZINC000422931422 566464856 /nfs/dbraw/zinc/46/48/56/566464856.db2.gz BQPHPKLOWRBDDA-CVEARBPZSA-N 2 2 387.615 3.179 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)[nH+]c12 ZINC000423040269 566470725 /nfs/dbraw/zinc/47/07/25/566470725.db2.gz SWPOLSVGSGEATM-KZNAEPCWSA-N 3 2 391.357 3.458 20 0 GGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423038522 566471170 /nfs/dbraw/zinc/47/11/70/566471170.db2.gz YWPVMPFFJAHHGK-IFXJQAMLSA-N 2 2 386.367 3.314 20 0 GGADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(Br)ccc1Br ZINC000423049920 566471361 /nfs/dbraw/zinc/47/13/61/566471361.db2.gz KIBCQULTIAYMHR-MFKMUULPSA-N 2 2 392.135 3.068 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)[nH+]c12 ZINC000423040268 566471812 /nfs/dbraw/zinc/47/18/12/566471812.db2.gz SWPOLSVGSGEATM-KURKYZTESA-N 3 2 391.357 3.458 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000650709593 566472467 /nfs/dbraw/zinc/47/24/67/566472467.db2.gz HDSGBQFDLXTKMQ-KSSFIOAISA-N 2 2 375.314 3.400 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1nc(-c3ccc(Br)cc3)c[nH]1)C2 ZINC000650709593 566472473 /nfs/dbraw/zinc/47/24/73/566472473.db2.gz HDSGBQFDLXTKMQ-KSSFIOAISA-N 2 2 375.314 3.400 20 0 GGADLP COc1cc(Br)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(OC)c1 ZINC000650717888 566474238 /nfs/dbraw/zinc/47/42/38/566474238.db2.gz PZFKGNVIPJTWJG-UHFFFAOYSA-N 2 2 383.261 3.354 20 0 GGADLP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1=O ZINC000423100587 566475193 /nfs/dbraw/zinc/47/51/93/566475193.db2.gz BWJWVYMUUMLNEU-USXIJHARSA-N 2 2 394.357 3.291 20 0 GGADLP C[C@H]([NH2+][C@@H](CO)c1ccc(Br)cc1C(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000423092969 566475534 /nfs/dbraw/zinc/47/55/34/566475534.db2.gz FBRONCQQEKLYBS-FZZIBODNSA-N 2 2 381.236 3.231 20 0 GGADLP C[C@H]([NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1OCCCO ZINC000423122283 566476505 /nfs/dbraw/zinc/47/65/05/566476505.db2.gz CAJOLXAKGUUPAS-ZQIUZPCESA-N 2 2 385.346 3.392 20 0 GGADLP C[C@@H]([NH2+][C@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1OCCCO ZINC000423122276 566477280 /nfs/dbraw/zinc/47/72/80/566477280.db2.gz CAJOLXAKGUUPAS-CKEIUWERSA-N 2 2 385.346 3.392 20 0 GGADLP C[C@@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1OCCCO ZINC000423122280 566477360 /nfs/dbraw/zinc/47/73/60/566477360.db2.gz CAJOLXAKGUUPAS-JKIFEVAISA-N 2 2 385.346 3.392 20 0 GGADLP CC[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1OCCCO)[C@@H]1CCC[NH2+]1 ZINC000423138904 566478191 /nfs/dbraw/zinc/47/81/91/566478191.db2.gz YOQJHNLPJJOFQD-XYPHTWIQSA-N 2 2 385.346 3.392 20 0 GGADLP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423151850 566479236 /nfs/dbraw/zinc/47/92/36/566479236.db2.gz CZZQIBQFMSQSAG-NOZJJQNGSA-N 2 2 377.124 3.214 20 0 GGADLP Cc1cc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)ccc1Br ZINC000464491776 566479640 /nfs/dbraw/zinc/47/96/40/566479640.db2.gz ZXNSDSCYZPYHEW-YJBOKZPZSA-N 2 2 394.357 3.136 20 0 GGADLP Cc1cc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)ccc1Br ZINC000464491776 566479647 /nfs/dbraw/zinc/47/96/47/566479647.db2.gz ZXNSDSCYZPYHEW-YJBOKZPZSA-N 2 2 394.357 3.136 20 0 GGADLP CC1CC[NH+](CCC[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000558491462 566480117 /nfs/dbraw/zinc/48/01/17/566480117.db2.gz BIURILYNZICXLR-UHFFFAOYSA-N 2 2 392.345 3.241 20 0 GGADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423173578 566480923 /nfs/dbraw/zinc/48/09/23/566480923.db2.gz ZGFDXITVVMRDAT-LIRRHRJNSA-N 2 2 380.941 3.182 20 0 GGADLP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423173575 566481063 /nfs/dbraw/zinc/48/10/63/566481063.db2.gz ZGFDXITVVMRDAT-AUUYWEPGSA-N 2 2 380.941 3.182 20 0 GGADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 ZINC000578017319 566484846 /nfs/dbraw/zinc/48/48/46/566484846.db2.gz YIWUZYXVBSEDJI-DLBZAZTESA-N 2 2 383.323 3.359 20 0 GGADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423277140 566484963 /nfs/dbraw/zinc/48/49/63/566484963.db2.gz PJSKDHMCQDRIIO-MOPGFXCFSA-N 2 2 380.941 3.406 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423374826 566486687 /nfs/dbraw/zinc/48/66/87/566486687.db2.gz TYOPXOZXRMXMEB-JDSLSITLSA-N 2 2 399.283 3.048 20 0 GGADLP CC[C@H]([NH2+]C[C@@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423396752 566487906 /nfs/dbraw/zinc/48/79/06/566487906.db2.gz UIJSLHLOJZJCNL-RDJZCZTQSA-N 2 2 387.977 3.067 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000423397789 566488147 /nfs/dbraw/zinc/48/81/47/566488147.db2.gz UXTMUXWDADKJOL-SLEUVZQESA-N 2 2 378.318 3.129 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)s1 ZINC000511775047 566488534 /nfs/dbraw/zinc/48/85/34/566488534.db2.gz FZNAYZXZJXWSHT-AWEZNQCLSA-N 2 2 399.347 3.407 20 0 GGADLP COCCC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1ccc(Br)cc1 ZINC000423437945 566489016 /nfs/dbraw/zinc/48/90/16/566489016.db2.gz UQWHJXFEJCCBLA-ROUUACIJSA-N 2 2 385.346 3.275 20 0 GGADLP FC(F)(F)c1cc(Br)ccc1[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000423577097 566492736 /nfs/dbraw/zinc/49/27/36/566492736.db2.gz RWFQRQOVSLMZKY-DOMZBBRYSA-N 2 2 393.247 3.497 20 0 GGADLP Cc1c([C@H](C)[NH2+]CCC[NH2+]C2CC2)nnn1-c1cccc(Br)c1 ZINC000423525177 566493060 /nfs/dbraw/zinc/49/30/60/566493060.db2.gz JZVSKEHYHKMTFE-LBPRGKRZSA-N 2 2 378.318 3.131 20 0 GGADLP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)c1cscn1 ZINC000423792342 566494657 /nfs/dbraw/zinc/49/46/57/566494657.db2.gz BOGRRXBXVMAISP-MRXNPFEDSA-N 2 2 399.347 3.231 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC000511940819 566498229 /nfs/dbraw/zinc/49/82/29/566498229.db2.gz HHUSSAPFLFQPFS-OAHLLOKOSA-N 2 2 399.347 3.407 20 0 GGADLP O=C(CC[NH2+]Cc1c[nH+]c2n1CCCC2)Nc1cccc(Br)c1 ZINC000578187749 566499656 /nfs/dbraw/zinc/49/96/56/566499656.db2.gz UOZQYHHAIRSFNX-UHFFFAOYSA-N 2 2 377.286 3.100 20 0 GGADLP CSC1CC[NH+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000602922280 566500269 /nfs/dbraw/zinc/50/02/69/566500269.db2.gz GALDLPAQRYQAFM-UHFFFAOYSA-N 2 2 379.595 3.001 20 0 GGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000558728801 566502194 /nfs/dbraw/zinc/50/21/94/566502194.db2.gz GZAQPYQGUUOURR-BEFAXECRSA-N 2 2 390.325 3.132 20 0 GGADLP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000558728801 566502195 /nfs/dbraw/zinc/50/21/95/566502195.db2.gz GZAQPYQGUUOURR-BEFAXECRSA-N 2 2 390.325 3.132 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cscc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000512011224 566504929 /nfs/dbraw/zinc/50/49/29/566504929.db2.gz YDFXVBYBIOYIDF-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cscc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000512011224 566504931 /nfs/dbraw/zinc/50/49/31/566504931.db2.gz YDFXVBYBIOYIDF-QGZVFWFLSA-N 2 2 381.339 3.237 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+]C(C)(C)COc2ncccc2Br)s1 ZINC000512038334 566507330 /nfs/dbraw/zinc/50/73/30/566507330.db2.gz UGPICQCCOHNKEM-UHFFFAOYSA-N 2 2 399.358 3.309 20 0 GGADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cscc1Br ZINC000512053667 566507995 /nfs/dbraw/zinc/50/79/95/566507995.db2.gz SMQXTQMFXAZPNZ-FUHWJXTLSA-N 2 2 395.366 3.483 20 0 GGADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cscc1Br ZINC000512053667 566508000 /nfs/dbraw/zinc/50/80/00/566508000.db2.gz SMQXTQMFXAZPNZ-FUHWJXTLSA-N 2 2 395.366 3.483 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)s1 ZINC000512082133 566512528 /nfs/dbraw/zinc/51/25/28/566512528.db2.gz DAGOYIMCVNDPKN-UHFFFAOYSA-N 2 2 397.342 3.086 20 0 GGADLP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512129861 566514836 /nfs/dbraw/zinc/51/48/36/566514836.db2.gz JZLBFBUWQYRSJU-CQSZACIVSA-N 2 2 380.945 3.235 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000578369880 566516163 /nfs/dbraw/zinc/51/61/63/566516163.db2.gz HATIZBYZOBEIAZ-UHFFFAOYSA-N 2 2 380.286 3.329 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000578369880 566516165 /nfs/dbraw/zinc/51/61/65/566516165.db2.gz HATIZBYZOBEIAZ-UHFFFAOYSA-N 2 2 380.286 3.329 20 0 GGADLP C[C@H]1C[N@H+](Cc2cccc(F)c2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000449035858 566523011 /nfs/dbraw/zinc/52/30/11/566523011.db2.gz IFWQYRDZBIXMEP-YOEHRIQHSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cccc(F)c2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000449035858 566523016 /nfs/dbraw/zinc/52/30/16/566523016.db2.gz IFWQYRDZBIXMEP-YOEHRIQHSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cccc(F)c2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000449035855 566524010 /nfs/dbraw/zinc/52/40/10/566524010.db2.gz IFWQYRDZBIXMEP-PBHICJAKSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cccc(F)c2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000449035855 566524012 /nfs/dbraw/zinc/52/40/12/566524012.db2.gz IFWQYRDZBIXMEP-PBHICJAKSA-N 2 2 384.337 3.046 20 0 GGADLP COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1C[NH2+]CCC[NH+](C)C ZINC000449065888 566526174 /nfs/dbraw/zinc/52/61/74/566526174.db2.gz XGCCSRZBIAPNDX-UHFFFAOYSA-N 2 2 385.295 3.007 20 0 GGADLP Cc1cc(Br)c(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1Cl ZINC000449090611 566527420 /nfs/dbraw/zinc/52/74/20/566527420.db2.gz HIFQFTJXPAUXGO-UHFFFAOYSA-N 2 2 375.738 3.347 20 0 GGADLP Cc1c([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])nnn1-c1cccc(Br)c1 ZINC000424372504 566531053 /nfs/dbraw/zinc/53/10/53/566531053.db2.gz HYCYEVPCCOOQMU-HFBAOOFYSA-N 2 2 378.318 3.259 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@H]1c1cccs1 ZINC000449162491 566532887 /nfs/dbraw/zinc/53/28/87/566532887.db2.gz SCGMRYZEOCLTNS-APWZRJJASA-N 2 2 378.563 3.324 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(C)(=O)=O)c2)[C@H]1c1cccs1 ZINC000449162491 566532895 /nfs/dbraw/zinc/53/28/95/566532895.db2.gz SCGMRYZEOCLTNS-APWZRJJASA-N 2 2 378.563 3.324 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1ccc(I)cc1)CCC2 ZINC000449168334 566533012 /nfs/dbraw/zinc/53/30/12/566533012.db2.gz MAXDIDBRXYMYNK-CQSZACIVSA-N 2 2 381.261 3.463 20 0 GGADLP C[C@H](C[NH2+]C1CC(c2ccc(Br)cc2F)C1)C[NH+]1CCOCC1 ZINC000449165043 566533666 /nfs/dbraw/zinc/53/36/66/566533666.db2.gz SPVXRHGZPLWPML-VQCLRJIVSA-N 2 2 385.321 3.392 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312865 566540663 /nfs/dbraw/zinc/54/06/63/566540663.db2.gz VYVVKZPEGTWMSP-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000559312865 566540669 /nfs/dbraw/zinc/54/06/69/566540669.db2.gz VYVVKZPEGTWMSP-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000559312865 566540678 /nfs/dbraw/zinc/54/06/78/566540678.db2.gz VYVVKZPEGTWMSP-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000559312865 566540687 /nfs/dbraw/zinc/54/06/87/566540687.db2.gz VYVVKZPEGTWMSP-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cc(C)c(Br)cn3)CC2)CC1 ZINC000628316231 566544585 /nfs/dbraw/zinc/54/45/85/566544585.db2.gz NTJHIKDVLGYGFX-UHFFFAOYSA-N 2 2 395.389 3.145 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cc(C)c(Br)cn3)CC2)CC1 ZINC000628316231 566544591 /nfs/dbraw/zinc/54/45/91/566544591.db2.gz NTJHIKDVLGYGFX-UHFFFAOYSA-N 2 2 395.389 3.145 20 0 GGADLP C[C@@H]1CN(Cc2cccc(F)c2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000449325021 566549861 /nfs/dbraw/zinc/54/98/61/566549861.db2.gz JEOCGTQGPBPMNE-CQSZACIVSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@@H]1CN(Cc2cccc(F)c2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000449325021 566549869 /nfs/dbraw/zinc/54/98/69/566549869.db2.gz JEOCGTQGPBPMNE-CQSZACIVSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2Br)CC1 ZINC000512687010 566550729 /nfs/dbraw/zinc/55/07/29/566550729.db2.gz KYPVROMPBAPCIH-IAGOWNOFSA-N 2 2 380.374 3.440 20 0 GGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449377072 566553958 /nfs/dbraw/zinc/55/39/58/566553958.db2.gz NOGBOPACXWYRRU-QAPCUYQASA-N 2 2 390.325 3.036 20 0 GGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000449377072 566553962 /nfs/dbraw/zinc/55/39/62/566553962.db2.gz NOGBOPACXWYRRU-QAPCUYQASA-N 2 2 390.325 3.036 20 0 GGADLP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673740961 566554531 /nfs/dbraw/zinc/55/45/31/566554531.db2.gz OHUASMOXSBXOOD-HIFRSBDPSA-N 2 2 384.351 3.382 20 0 GGADLP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000673740961 566554535 /nfs/dbraw/zinc/55/45/35/566554535.db2.gz OHUASMOXSBXOOD-HIFRSBDPSA-N 2 2 384.351 3.382 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC(=O)NCc3cccs3)C2)s1 ZINC000578800850 566555783 /nfs/dbraw/zinc/55/57/83/566555783.db2.gz CARWNUYMWGSYDJ-INIZCTEOSA-N 2 2 377.579 3.188 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC(=O)NCc3cccs3)C2)s1 ZINC000578800850 566555789 /nfs/dbraw/zinc/55/57/89/566555789.db2.gz CARWNUYMWGSYDJ-INIZCTEOSA-N 2 2 377.579 3.188 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC(=O)NCc3cccs3)C2)s1 ZINC000578800850 566555796 /nfs/dbraw/zinc/55/57/96/566555796.db2.gz CARWNUYMWGSYDJ-INIZCTEOSA-N 2 2 377.579 3.188 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC(=O)NCc3cccs3)C2)s1 ZINC000578800850 566555800 /nfs/dbraw/zinc/55/58/00/566555800.db2.gz CARWNUYMWGSYDJ-INIZCTEOSA-N 2 2 377.579 3.188 20 0 GGADLP CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000604205802 566557506 /nfs/dbraw/zinc/55/75/06/566557506.db2.gz YRDFCRFHYXWWQS-HIFRSBDPSA-N 2 2 384.977 3.320 20 0 GGADLP CC[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(Cl)s1 ZINC000604205802 566557509 /nfs/dbraw/zinc/55/75/09/566557509.db2.gz YRDFCRFHYXWWQS-HIFRSBDPSA-N 2 2 384.977 3.320 20 0 GGADLP COc1ccc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C(C)C)c(Br)c1 ZINC000578822050 566557965 /nfs/dbraw/zinc/55/79/65/566557965.db2.gz REOITEAUIJVNEP-RDTXWAMCSA-N 2 2 385.346 3.201 20 0 GGADLP CC[N@H+](CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000466325561 566565848 /nfs/dbraw/zinc/56/58/48/566565848.db2.gz MJEVOYYVZAINDB-GOSISDBHSA-N 2 2 394.357 3.187 20 0 GGADLP CC[N@@H+](CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000466325561 566565855 /nfs/dbraw/zinc/56/58/55/566565855.db2.gz MJEVOYYVZAINDB-GOSISDBHSA-N 2 2 394.357 3.187 20 0 GGADLP CC[NH+](CC)CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000466337021 566567299 /nfs/dbraw/zinc/56/72/99/566567299.db2.gz JIUIQFUXOGZPGY-QGZVFWFLSA-N 2 2 382.346 3.044 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@H]([C@H](CO)C3CC3)C3CC3)c[nH+]c12 ZINC000449500724 566569506 /nfs/dbraw/zinc/56/95/06/566569506.db2.gz DVCOICKIIUMXAP-SJORKVTESA-N 2 2 378.314 3.292 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)c[nH+]c12 ZINC000449500722 566569999 /nfs/dbraw/zinc/56/99/99/566569999.db2.gz DVCOICKIIUMXAP-IAGOWNOFSA-N 2 2 378.314 3.292 20 0 GGADLP Brc1ccc2[nH+]cc(CNc3cc[nH+]cc3Br)n2c1 ZINC000486320681 566578988 /nfs/dbraw/zinc/57/89/88/566578988.db2.gz PZWYTHKFLAFVTR-UHFFFAOYSA-N 2 2 382.059 3.288 20 0 GGADLP OC[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)Cc1cc(Br)ccc1F ZINC000449605074 566583167 /nfs/dbraw/zinc/58/31/67/566583167.db2.gz YPKZVKXVSXJZRH-CYBMUJFWSA-N 2 2 392.272 3.177 20 0 GGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)CCc2ccc(I)cc2)n1C ZINC000579142972 566583809 /nfs/dbraw/zinc/58/38/09/566583809.db2.gz NGWIQDHJERUKRM-LBPRGKRZSA-N 2 2 383.277 3.444 20 0 GGADLP C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513163981 566585830 /nfs/dbraw/zinc/58/58/30/566585830.db2.gz CMGJTYNULRKFAD-XYPWUTKMSA-N 2 2 384.351 3.209 20 0 GGADLP C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513163981 566585835 /nfs/dbraw/zinc/58/58/35/566585835.db2.gz CMGJTYNULRKFAD-XYPWUTKMSA-N 2 2 384.351 3.209 20 0 GGADLP C[NH+](CC(=O)NCCc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513163981 566585843 /nfs/dbraw/zinc/58/58/43/566585843.db2.gz CMGJTYNULRKFAD-XYPWUTKMSA-N 2 2 384.351 3.209 20 0 GGADLP C[NH+](CC(=O)NCCc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513163981 566585847 /nfs/dbraw/zinc/58/58/47/566585847.db2.gz CMGJTYNULRKFAD-XYPWUTKMSA-N 2 2 384.351 3.209 20 0 GGADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449679709 566589607 /nfs/dbraw/zinc/58/96/07/566589607.db2.gz FADNGCFYLIAAKH-UKPHBRMFSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449679709 566589613 /nfs/dbraw/zinc/58/96/13/566589613.db2.gz FADNGCFYLIAAKH-UKPHBRMFSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449679706 566589676 /nfs/dbraw/zinc/58/96/76/566589676.db2.gz FADNGCFYLIAAKH-JLJPHGGASA-N 2 2 381.358 3.123 20 0 GGADLP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449679706 566589680 /nfs/dbraw/zinc/58/96/80/566589680.db2.gz FADNGCFYLIAAKH-JLJPHGGASA-N 2 2 381.358 3.123 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Br)cc3SC)C2)CC1 ZINC000513450309 566603615 /nfs/dbraw/zinc/60/36/15/566603615.db2.gz IZXUIIOIRBEZPO-QGZVFWFLSA-N 2 2 398.414 3.383 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Br)cc3SC)C2)CC1 ZINC000513450309 566603619 /nfs/dbraw/zinc/60/36/19/566603619.db2.gz IZXUIIOIRBEZPO-QGZVFWFLSA-N 2 2 398.414 3.383 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000652361137 566605661 /nfs/dbraw/zinc/60/56/61/566605661.db2.gz YTBZUDVBHBFMRE-COXVUDFISA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000652361137 566605663 /nfs/dbraw/zinc/60/56/63/566605663.db2.gz YTBZUDVBHBFMRE-COXVUDFISA-N 2 2 386.323 3.293 20 0 GGADLP COc1cc2[nH+]ccc(N3CCN(c4[nH]cc[nH+]4)CC3)c2cc1Br ZINC000425257717 566624868 /nfs/dbraw/zinc/62/48/68/566624868.db2.gz JFGHOAQLSSXNPV-UHFFFAOYSA-N 2 2 388.269 3.056 20 0 GGADLP CN(C)c1[nH+]cc(C[N@@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)n1C ZINC000425371816 566634776 /nfs/dbraw/zinc/63/47/76/566634776.db2.gz RAMIKROGRWFMCT-OAHLLOKOSA-N 2 2 377.330 3.313 20 0 GGADLP CN(C)c1[nH+]cc(C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)n1C ZINC000425371816 566634782 /nfs/dbraw/zinc/63/47/82/566634782.db2.gz RAMIKROGRWFMCT-OAHLLOKOSA-N 2 2 377.330 3.313 20 0 GGADLP COc1c(Br)cc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1Br ZINC000560942893 566667547 /nfs/dbraw/zinc/66/75/47/566667547.db2.gz ZCKBFTUNDMUQQS-GFCCVEGCSA-N 2 2 378.108 3.047 20 0 GGADLP Cc1csc(Sc2ccc(NC(=O)[C@H]([NH3+])CC[NH+](C)C)cc2Cl)n1 ZINC000653081439 566649017 /nfs/dbraw/zinc/64/90/17/566649017.db2.gz ORZUBPICSVYSPX-CYBMUJFWSA-N 2 2 384.958 3.474 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1 ZINC000653081505 566649297 /nfs/dbraw/zinc/64/92/97/566649297.db2.gz QVTJESIWFXFJIA-HNNXBMFYSA-N 2 2 383.279 3.398 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000653094160 566651150 /nfs/dbraw/zinc/65/11/50/566651150.db2.gz YYKKFVIBOORBJG-JTQLQIEISA-N 2 2 385.402 3.280 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1 ZINC000653167942 566654441 /nfs/dbraw/zinc/65/44/41/566654441.db2.gz JVPWEVDYUFJIIN-KRWDZBQOSA-N 2 2 392.297 3.459 20 0 GGADLP OCC[NH+]1CCC(CNc2cc[nH+]c3cc(F)c(Br)cc23)CC1 ZINC000450311094 566657260 /nfs/dbraw/zinc/65/72/60/566657260.db2.gz GQTPGKPBFRGEHU-UHFFFAOYSA-N 2 2 382.277 3.253 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000540594911 566659324 /nfs/dbraw/zinc/65/93/24/566659324.db2.gz JBEFFUBQQYIMGK-GJZGRUSLSA-N 2 2 385.346 3.201 20 0 GGADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000580055486 566660974 /nfs/dbraw/zinc/66/09/74/566660974.db2.gz ULLGGLXHOOOGDO-MAUKXSAKSA-N 2 2 386.323 3.150 20 0 GGADLP Fc1cc2[nH+]ccc(N3CC[C@H](C[NH+]4CCOCC4)C3)c2cc1Br ZINC000450354989 566662217 /nfs/dbraw/zinc/66/22/17/566662217.db2.gz PAYDAKQSKNECSQ-CYBMUJFWSA-N 2 2 394.288 3.295 20 0 GGADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2Cl)s1 ZINC000675782028 566664469 /nfs/dbraw/zinc/66/44/69/566664469.db2.gz KPJAQVDTCNIHQP-AWEZNQCLSA-N 2 2 377.941 3.493 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629562045 566665460 /nfs/dbraw/zinc/66/54/60/566665460.db2.gz LGVFHSILRMMZKS-WCQYABFASA-N 2 2 381.236 3.417 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629562045 566665465 /nfs/dbraw/zinc/66/54/65/566665465.db2.gz LGVFHSILRMMZKS-WCQYABFASA-N 2 2 381.236 3.417 20 0 GGADLP O=C(NCC[NH2+]C1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000560899023 566666104 /nfs/dbraw/zinc/66/61/04/566666104.db2.gz CPRHATPOHJHREH-UHFFFAOYSA-N 2 2 377.941 3.386 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@@H]1C(F)(F)F ZINC000629568161 566667254 /nfs/dbraw/zinc/66/72/54/566667254.db2.gz RVBNTISCKMKGHB-OLZOCXBDSA-N 2 2 378.822 3.460 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)CC[C@@H]1C(F)(F)F ZINC000629568161 566667259 /nfs/dbraw/zinc/66/72/59/566667259.db2.gz RVBNTISCKMKGHB-OLZOCXBDSA-N 2 2 378.822 3.460 20 0 GGADLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)c(Cl)c1 ZINC000675886630 566669234 /nfs/dbraw/zinc/66/92/34/566669234.db2.gz SSKITOOBBVDSFS-VQIMIIECSA-N 2 2 386.367 3.441 20 0 GGADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000675886884 566669285 /nfs/dbraw/zinc/66/92/85/566669285.db2.gz WMQBTQQXVCZUTR-ZIAGYGMSSA-N 2 2 390.330 3.190 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cccc(Br)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366630 566669730 /nfs/dbraw/zinc/66/97/30/566669730.db2.gz PXBGWCOGFWCWHE-LJQANCHMSA-N 2 2 375.310 3.176 20 0 GGADLP O[C@@]1(C[NH2+]Cc2cccc(Br)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366630 566669732 /nfs/dbraw/zinc/66/97/32/566669732.db2.gz PXBGWCOGFWCWHE-LJQANCHMSA-N 2 2 375.310 3.176 20 0 GGADLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000514807050 566671951 /nfs/dbraw/zinc/67/19/51/566671951.db2.gz SUQMZMLGXQAAMW-HIFRSBDPSA-N 2 2 376.298 3.297 20 0 GGADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)[C@@H](C)C1 ZINC000450452013 566672682 /nfs/dbraw/zinc/67/26/82/566672682.db2.gz GVGWPQXBEBTHAZ-RYUDHWBXSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)[C@@H](C)C1 ZINC000450452013 566672685 /nfs/dbraw/zinc/67/26/85/566672685.db2.gz GVGWPQXBEBTHAZ-RYUDHWBXSA-N 2 2 382.277 3.028 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000629657202 566677192 /nfs/dbraw/zinc/67/71/92/566677192.db2.gz UUTXPUWRIBWWNI-OLZOCXBDSA-N 2 2 378.460 3.385 20 0 GGADLP COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000629657202 566677198 /nfs/dbraw/zinc/67/71/98/566677198.db2.gz UUTXPUWRIBWWNI-OLZOCXBDSA-N 2 2 378.460 3.385 20 0 GGADLP C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(F)c(Br)cc21 ZINC000450530769 566680754 /nfs/dbraw/zinc/68/07/54/566680754.db2.gz QMQAYELJMRWBLO-STQMWFEESA-N 2 2 394.288 3.436 20 0 GGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000653617042 566682073 /nfs/dbraw/zinc/68/20/73/566682073.db2.gz UBAGMKOWXDMTJM-UONOGXRCSA-N 2 2 383.252 3.345 20 0 GGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000653617042 566682077 /nfs/dbraw/zinc/68/20/77/566682077.db2.gz UBAGMKOWXDMTJM-UONOGXRCSA-N 2 2 383.252 3.345 20 0 GGADLP Cc1ccc(Br)cc1C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450651634 566694372 /nfs/dbraw/zinc/69/43/72/566694372.db2.gz LMRYMOYUTNYYNW-MRXNPFEDSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1ccc(Br)cc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450651634 566694377 /nfs/dbraw/zinc/69/43/77/566694377.db2.gz LMRYMOYUTNYYNW-MRXNPFEDSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1ccc(Br)cc1CN1CC[N@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450651634 566694384 /nfs/dbraw/zinc/69/43/84/566694384.db2.gz LMRYMOYUTNYYNW-MRXNPFEDSA-N 2 2 380.374 3.358 20 0 GGADLP Cc1ccc(Br)cc1CN1CC[N@@H+](C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000450651634 566694391 /nfs/dbraw/zinc/69/43/91/566694391.db2.gz LMRYMOYUTNYYNW-MRXNPFEDSA-N 2 2 380.374 3.358 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@H]21 ZINC000541069653 566694634 /nfs/dbraw/zinc/69/46/34/566694634.db2.gz MNTTWVDQZIKHCN-FZKQIMNGSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@H]21 ZINC000541069653 566694636 /nfs/dbraw/zinc/69/46/36/566694636.db2.gz MNTTWVDQZIKHCN-FZKQIMNGSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@H]21 ZINC000541069653 566694640 /nfs/dbraw/zinc/69/46/40/566694640.db2.gz MNTTWVDQZIKHCN-FZKQIMNGSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@H]21 ZINC000541069653 566694644 /nfs/dbraw/zinc/69/46/44/566694644.db2.gz MNTTWVDQZIKHCN-FZKQIMNGSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@@H]21 ZINC000541069655 566694654 /nfs/dbraw/zinc/69/46/54/566694654.db2.gz MNTTWVDQZIKHCN-UGSOOPFHSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@@H]21 ZINC000541069655 566694658 /nfs/dbraw/zinc/69/46/58/566694658.db2.gz MNTTWVDQZIKHCN-UGSOOPFHSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@@H]21 ZINC000541069655 566694664 /nfs/dbraw/zinc/69/46/64/566694664.db2.gz MNTTWVDQZIKHCN-UGSOOPFHSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@@H]21 ZINC000541069655 566694667 /nfs/dbraw/zinc/69/46/67/566694667.db2.gz MNTTWVDQZIKHCN-UGSOOPFHSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@H]21 ZINC000541069654 566694782 /nfs/dbraw/zinc/69/47/82/566694782.db2.gz MNTTWVDQZIKHCN-SCLBCKFNSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@H]21 ZINC000541069654 566694784 /nfs/dbraw/zinc/69/47/84/566694784.db2.gz MNTTWVDQZIKHCN-SCLBCKFNSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@H]21 ZINC000541069654 566694787 /nfs/dbraw/zinc/69/47/87/566694787.db2.gz MNTTWVDQZIKHCN-SCLBCKFNSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)CC[C@H]21 ZINC000541069654 566694790 /nfs/dbraw/zinc/69/47/90/566694790.db2.gz MNTTWVDQZIKHCN-SCLBCKFNSA-N 2 2 380.323 3.490 20 0 GGADLP Brc1ccc(CN(CCn2cc[nH+]c2)c2[nH+]cnc3[nH]ccc32)o1 ZINC000561340730 566697066 /nfs/dbraw/zinc/69/70/66/566697066.db2.gz NQOIPDLDWPBUBI-UHFFFAOYSA-N 2 2 387.241 3.217 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676479668 566698185 /nfs/dbraw/zinc/69/81/85/566698185.db2.gz WIHXOFUTRWAVSE-HNNXBMFYSA-N 2 2 381.307 3.485 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000676479668 566698195 /nfs/dbraw/zinc/69/81/95/566698195.db2.gz WIHXOFUTRWAVSE-HNNXBMFYSA-N 2 2 381.307 3.485 20 0 GGADLP C[C@@H](CC[NH2+]Cc1cn(-c2ccccc2Br)nn1)[NH+]1CCCCC1 ZINC000580487034 566698455 /nfs/dbraw/zinc/69/84/55/566698455.db2.gz CJCJMNVWWDWDJF-HNNXBMFYSA-N 2 2 392.345 3.384 20 0 GGADLP Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)o1 ZINC000676477771 566698908 /nfs/dbraw/zinc/69/89/08/566698908.db2.gz KNFVIXPPSFNPPF-LLVKDONJSA-N 2 2 378.230 3.126 20 0 GGADLP Brc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](n4cc[nH+]c4)C3)o2)o1 ZINC000676477771 566698911 /nfs/dbraw/zinc/69/89/11/566698911.db2.gz KNFVIXPPSFNPPF-LLVKDONJSA-N 2 2 378.230 3.126 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1 ZINC000676478244 566698982 /nfs/dbraw/zinc/69/89/82/566698982.db2.gz RUKJMNVJKVZZSO-INIZCTEOSA-N 2 2 377.286 3.311 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1 ZINC000676478244 566698988 /nfs/dbraw/zinc/69/89/88/566698988.db2.gz RUKJMNVJKVZZSO-INIZCTEOSA-N 2 2 377.286 3.311 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000580548372 566702393 /nfs/dbraw/zinc/70/23/93/566702393.db2.gz PZXRTJNDOFHNLO-QGZVFWFLSA-N 2 2 382.346 3.173 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CCCC[NH3+])CC1 ZINC000580548371 566703002 /nfs/dbraw/zinc/70/30/02/566703002.db2.gz PZXRTJNDOFHNLO-KRWDZBQOSA-N 2 2 382.346 3.173 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000541211604 566703262 /nfs/dbraw/zinc/70/32/62/566703262.db2.gz AQIWAQJJBPSXPJ-HNNXBMFYSA-N 2 2 382.346 3.488 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000580559674 566704135 /nfs/dbraw/zinc/70/41/35/566704135.db2.gz UQPHKCGZNQBJAV-BMGDILEWSA-N 2 2 394.357 3.042 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c[nH+]c12 ZINC000515465647 566714104 /nfs/dbraw/zinc/71/41/04/566714104.db2.gz HIUZGGJKZKJHCO-PBHICJAKSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@@H]4C[N@@H+](C)CC[C@@H]43)c[nH+]c12 ZINC000515465647 566714113 /nfs/dbraw/zinc/71/41/13/566714113.db2.gz HIUZGGJKZKJHCO-PBHICJAKSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c[nH+]c12 ZINC000515465648 566714646 /nfs/dbraw/zinc/71/46/46/566714646.db2.gz HIUZGGJKZKJHCO-RHSMWYFYSA-N 2 2 377.330 3.321 20 0 GGADLP Cc1cc(Br)cn2c(CN3CCC[C@@H]4C[N@@H+](C)CC[C@H]43)c[nH+]c12 ZINC000515465648 566714650 /nfs/dbraw/zinc/71/46/50/566714650.db2.gz HIUZGGJKZKJHCO-RHSMWYFYSA-N 2 2 377.330 3.321 20 0 GGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505154 566717819 /nfs/dbraw/zinc/71/78/19/566717819.db2.gz MAYZXVGAQMZHFW-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505154 566717823 /nfs/dbraw/zinc/71/78/23/566717823.db2.gz MAYZXVGAQMZHFW-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505154 566717826 /nfs/dbraw/zinc/71/78/26/566717826.db2.gz MAYZXVGAQMZHFW-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000515505154 566717831 /nfs/dbraw/zinc/71/78/31/566717831.db2.gz MAYZXVGAQMZHFW-BBRMVZONSA-N 2 2 383.330 3.382 20 0 GGADLP Brc1ccc(C[N@@H+](CCc2cscn2)CCn2cc[nH+]c2)o1 ZINC000450981752 566728416 /nfs/dbraw/zinc/72/84/16/566728416.db2.gz YXPAUPHFESPJLD-UHFFFAOYSA-N 2 2 381.299 3.440 20 0 GGADLP Brc1ccc(C[N@H+](CCc2cscn2)CCn2cc[nH+]c2)o1 ZINC000450981752 566728422 /nfs/dbraw/zinc/72/84/22/566728422.db2.gz YXPAUPHFESPJLD-UHFFFAOYSA-N 2 2 381.299 3.440 20 0 GGADLP Brc1cccc2c(N3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c12 ZINC000426889178 566737466 /nfs/dbraw/zinc/73/74/66/566737466.db2.gz DFDOZLCWIQNOGM-AWEZNQCLSA-N 2 2 376.298 3.156 20 0 GGADLP C[C@@H]([NH2+]CCCn1cc[nH+]c1)c1nc(-c2ccc(Br)cc2)no1 ZINC000541683191 566743366 /nfs/dbraw/zinc/74/33/66/566743366.db2.gz JFMDOEYKEMRXGI-GFCCVEGCSA-N 2 2 376.258 3.437 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427121281 566748499 /nfs/dbraw/zinc/74/84/99/566748499.db2.gz HQQYYOBXYALWQB-KDOFPFPSSA-N 2 2 375.314 3.127 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427121281 566748503 /nfs/dbraw/zinc/74/85/03/566748503.db2.gz HQQYYOBXYALWQB-KDOFPFPSSA-N 2 2 375.314 3.127 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427115597 566748631 /nfs/dbraw/zinc/74/86/31/566748631.db2.gz VEFQFCLYJXTWID-PBHICJAKSA-N 2 2 383.330 3.048 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427115597 566748635 /nfs/dbraw/zinc/74/86/35/566748635.db2.gz VEFQFCLYJXTWID-PBHICJAKSA-N 2 2 383.330 3.048 20 0 GGADLP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000468961424 566749306 /nfs/dbraw/zinc/74/93/06/566749306.db2.gz KGBQZVSQRYMSSM-UHFFFAOYSA-N 2 2 380.579 3.399 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000468961424 566749314 /nfs/dbraw/zinc/74/93/14/566749314.db2.gz KGBQZVSQRYMSSM-UHFFFAOYSA-N 2 2 380.579 3.399 20 0 GGADLP C[C@H]1CC[N@H+](CCNC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000541909396 566759909 /nfs/dbraw/zinc/75/99/09/566759909.db2.gz YYYUBNQUMGLKJZ-INIZCTEOSA-N 2 2 380.374 3.345 20 0 GGADLP C[C@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccccc3Br)CC2)C1 ZINC000541909396 566759913 /nfs/dbraw/zinc/75/99/13/566759913.db2.gz YYYUBNQUMGLKJZ-INIZCTEOSA-N 2 2 380.374 3.345 20 0 GGADLP CN(Cc1ccc(Br)cc1F)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677801393 566763660 /nfs/dbraw/zinc/76/36/60/566763660.db2.gz NNISKRDIWYJJGA-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1ccc(Br)cc1F)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677801393 566763663 /nfs/dbraw/zinc/76/36/63/566763663.db2.gz NNISKRDIWYJJGA-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@H+](Cc1ccc(Br)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801393 566763664 /nfs/dbraw/zinc/76/36/64/566763664.db2.gz NNISKRDIWYJJGA-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@@H+](Cc1ccc(Br)cc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801393 566763669 /nfs/dbraw/zinc/76/36/69/566763669.db2.gz NNISKRDIWYJJGA-KRWDZBQOSA-N 2 2 384.337 3.189 20 0 GGADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000581300979 566766230 /nfs/dbraw/zinc/76/62/30/566766230.db2.gz OWYWQZGNGWXHKL-QAPCUYQASA-N 2 2 386.323 3.150 20 0 GGADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1Br ZINC000631111742 566779614 /nfs/dbraw/zinc/77/96/14/566779614.db2.gz VGUMYUSWTTZPOM-SFHVURJKSA-N 2 2 390.325 3.091 20 0 GGADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1Br ZINC000631111742 566779623 /nfs/dbraw/zinc/77/96/23/566779623.db2.gz VGUMYUSWTTZPOM-SFHVURJKSA-N 2 2 390.325 3.091 20 0 GGADLP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1cccs1 ZINC000516744998 566779811 /nfs/dbraw/zinc/77/98/11/566779811.db2.gz KMDGIQZSDADTDT-UHFFFAOYSA-N 2 2 377.579 3.364 20 0 GGADLP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2cccs2)CC1)Cc1cccs1 ZINC000516744998 566779820 /nfs/dbraw/zinc/77/98/20/566779820.db2.gz KMDGIQZSDADTDT-UHFFFAOYSA-N 2 2 377.579 3.364 20 0 GGADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1Br ZINC000631111737 566780120 /nfs/dbraw/zinc/78/01/20/566780120.db2.gz VGUMYUSWTTZPOM-GOSISDBHSA-N 2 2 390.325 3.091 20 0 GGADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccncc1Br ZINC000631111737 566780128 /nfs/dbraw/zinc/78/01/28/566780128.db2.gz VGUMYUSWTTZPOM-GOSISDBHSA-N 2 2 390.325 3.091 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000678079715 566780403 /nfs/dbraw/zinc/78/04/03/566780403.db2.gz AOULZSZLODITGE-MSOLQXFVSA-N 2 2 394.357 3.314 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(F)c3Br)C2)CC1 ZINC000516847786 566787296 /nfs/dbraw/zinc/78/72/96/566787296.db2.gz KKDBWYNRFQVIDF-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(F)c3Br)C2)CC1 ZINC000516847786 566787303 /nfs/dbraw/zinc/78/73/03/566787303.db2.gz KKDBWYNRFQVIDF-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP Brc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc2c1OCCO2 ZINC000678235144 566789242 /nfs/dbraw/zinc/78/92/42/566789242.db2.gz OSFMICMAKGTQFW-CQSZACIVSA-N 2 2 378.270 3.254 20 0 GGADLP Brc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc2c1OCCO2 ZINC000678235144 566789245 /nfs/dbraw/zinc/78/92/45/566789245.db2.gz OSFMICMAKGTQFW-CQSZACIVSA-N 2 2 378.270 3.254 20 0 GGADLP CSc1cc(Br)ccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678258720 566790910 /nfs/dbraw/zinc/79/09/10/566790910.db2.gz KZCWPJJYCAIJSF-KRWDZBQOSA-N 2 2 398.414 3.383 20 0 GGADLP CSc1cc(Br)ccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258720 566790913 /nfs/dbraw/zinc/79/09/13/566790913.db2.gz KZCWPJJYCAIJSF-KRWDZBQOSA-N 2 2 398.414 3.383 20 0 GGADLP C[C@H](CCCC[NH3+])NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000516926862 566793990 /nfs/dbraw/zinc/79/39/90/566793990.db2.gz ZXOPAYZZSDDFJY-PBHICJAKSA-N 2 2 382.346 3.220 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000542464411 566804005 /nfs/dbraw/zinc/80/40/05/566804005.db2.gz HAQGJEPXSHLVBD-CVEARBPZSA-N 2 2 377.330 3.464 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000542464411 566804010 /nfs/dbraw/zinc/80/40/10/566804010.db2.gz HAQGJEPXSHLVBD-CVEARBPZSA-N 2 2 377.330 3.464 20 0 GGADLP O=C(C[NH2+][C@@H](c1cccs1)C1CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000542511412 566807176 /nfs/dbraw/zinc/80/71/76/566807176.db2.gz QMHVISRLKPFYKE-LJQANCHMSA-N 2 2 375.563 3.195 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469744851 566810858 /nfs/dbraw/zinc/81/08/58/566810858.db2.gz NBIYJFXLSRVGIP-SUMWQHHRSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469744851 566810863 /nfs/dbraw/zinc/81/08/63/566810863.db2.gz NBIYJFXLSRVGIP-SUMWQHHRSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469745352 566810906 /nfs/dbraw/zinc/81/09/06/566810906.db2.gz PWMREONOAHNUHC-SUMWQHHRSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000469745352 566810911 /nfs/dbraw/zinc/81/09/11/566810911.db2.gz PWMREONOAHNUHC-SUMWQHHRSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489802056 566811048 /nfs/dbraw/zinc/81/10/48/566811048.db2.gz QHSARGQFKDBGBA-IIDMSEBBSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489802056 566811054 /nfs/dbraw/zinc/81/10/54/566811054.db2.gz QHSARGQFKDBGBA-IIDMSEBBSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469744849 566811248 /nfs/dbraw/zinc/81/12/48/566811248.db2.gz NBIYJFXLSRVGIP-DYVFJYSZSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000469744849 566811250 /nfs/dbraw/zinc/81/12/50/566811250.db2.gz NBIYJFXLSRVGIP-DYVFJYSZSA-N 2 2 390.281 3.324 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000489802060 566811676 /nfs/dbraw/zinc/81/16/76/566811676.db2.gz QHSARGQFKDBGBA-RVKKMQEKSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000489802060 566811681 /nfs/dbraw/zinc/81/16/81/566811681.db2.gz QHSARGQFKDBGBA-RVKKMQEKSA-N 2 2 377.330 3.287 20 0 GGADLP CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000469771649 566812440 /nfs/dbraw/zinc/81/24/40/566812440.db2.gz DAUGMQALIBLELB-ZWKOTPCHSA-N 2 2 381.611 3.046 20 0 GGADLP CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC000469771646 566812554 /nfs/dbraw/zinc/81/25/54/566812554.db2.gz DAUGMQALIBLELB-MSOLQXFVSA-N 2 2 381.611 3.046 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(I)c1)CCC2 ZINC000517250784 566816429 /nfs/dbraw/zinc/81/64/29/566816429.db2.gz PQUNLXUGWMAFDM-AWEZNQCLSA-N 2 2 381.261 3.463 20 0 GGADLP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(Br)c1OC(F)F ZINC000469862881 566821280 /nfs/dbraw/zinc/82/12/80/566821280.db2.gz NXQNJMXVGYTZBG-KOLCDFICSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(Br)c1OC(F)F ZINC000469862881 566821288 /nfs/dbraw/zinc/82/12/88/566821288.db2.gz NXQNJMXVGYTZBG-KOLCDFICSA-N 2 2 379.245 3.228 20 0 GGADLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090446 566829687 /nfs/dbraw/zinc/82/96/87/566829687.db2.gz ZUIWBMDUPPOTNX-ACJLOTCBSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090446 566829688 /nfs/dbraw/zinc/82/96/88/566829688.db2.gz ZUIWBMDUPPOTNX-ACJLOTCBSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090446 566829689 /nfs/dbraw/zinc/82/96/89/566829689.db2.gz ZUIWBMDUPPOTNX-ACJLOTCBSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090446 566829691 /nfs/dbraw/zinc/82/96/91/566829691.db2.gz ZUIWBMDUPPOTNX-ACJLOTCBSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090448 566829755 /nfs/dbraw/zinc/82/97/55/566829755.db2.gz ZUIWBMDUPPOTNX-SCLBCKFNSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090448 566829758 /nfs/dbraw/zinc/82/97/58/566829758.db2.gz ZUIWBMDUPPOTNX-SCLBCKFNSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090448 566829759 /nfs/dbraw/zinc/82/97/59/566829759.db2.gz ZUIWBMDUPPOTNX-SCLBCKFNSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000582090448 566829762 /nfs/dbraw/zinc/82/97/62/566829762.db2.gz ZUIWBMDUPPOTNX-SCLBCKFNSA-N 2 2 380.323 3.490 20 0 GGADLP CC[C@H](CSC)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428291942 566830385 /nfs/dbraw/zinc/83/03/85/566830385.db2.gz VUXHDYNMQRRXDP-MRXNPFEDSA-N 2 2 384.615 3.387 20 0 GGADLP CC[C@H](CSC)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428291942 566830391 /nfs/dbraw/zinc/83/03/91/566830391.db2.gz VUXHDYNMQRRXDP-MRXNPFEDSA-N 2 2 384.615 3.387 20 0 GGADLP CC[NH2+]CCC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000517553730 566831163 /nfs/dbraw/zinc/83/11/63/566831163.db2.gz PFBZDPWKTBJLEK-LJQANCHMSA-N 2 2 380.941 3.422 20 0 GGADLP COc1c(Br)cc(Br)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000469995350 566834958 /nfs/dbraw/zinc/83/49/58/566834958.db2.gz ZHNKHUSKRRLEIV-UHFFFAOYSA-N 2 2 392.135 3.404 20 0 GGADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000469995350 566834962 /nfs/dbraw/zinc/83/49/62/566834962.db2.gz ZHNKHUSKRRLEIV-UHFFFAOYSA-N 2 2 392.135 3.404 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(Br)c1OC(F)F ZINC000469988332 566835114 /nfs/dbraw/zinc/83/51/14/566835114.db2.gz ACBXVFCXSYVSTC-BXKDBHETSA-N 2 2 379.245 3.228 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc(Br)c1OC(F)F ZINC000469988332 566835121 /nfs/dbraw/zinc/83/51/21/566835121.db2.gz ACBXVFCXSYVSTC-BXKDBHETSA-N 2 2 379.245 3.228 20 0 GGADLP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000655690989 566836373 /nfs/dbraw/zinc/83/63/73/566836373.db2.gz ATZAZRFQTGFNNM-XJKSGUPXSA-N 2 2 383.330 3.362 20 0 GGADLP CSCC[C@@H](C)[N@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428390304 566837653 /nfs/dbraw/zinc/83/76/53/566837653.db2.gz SWHIGCIPZSCQNW-OAHLLOKOSA-N 2 2 384.615 3.387 20 0 GGADLP CSCC[C@@H](C)[N@@H+](C)CC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000428390304 566837664 /nfs/dbraw/zinc/83/76/64/566837664.db2.gz SWHIGCIPZSCQNW-OAHLLOKOSA-N 2 2 384.615 3.387 20 0 GGADLP CCOc1c(Br)cc(C[N@H+](C)[C@H](C)C[NH3+])cc1Br ZINC000470017182 566839092 /nfs/dbraw/zinc/83/90/92/566839092.db2.gz IAOLGEMUXSGEDZ-SECBINFHSA-N 2 2 380.124 3.389 20 0 GGADLP CCOc1c(Br)cc(C[N@@H+](C)[C@H](C)C[NH3+])cc1Br ZINC000470017182 566839096 /nfs/dbraw/zinc/83/90/96/566839096.db2.gz IAOLGEMUXSGEDZ-SECBINFHSA-N 2 2 380.124 3.389 20 0 GGADLP C[C@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655737016 566839840 /nfs/dbraw/zinc/83/98/40/566839840.db2.gz JHQAPNSVXQRPKK-CXAGYDPISA-N 2 2 385.321 3.362 20 0 GGADLP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1Cl ZINC000655751854 566844548 /nfs/dbraw/zinc/84/45/48/566844548.db2.gz GRSHGCFLGXPBAZ-WBVHZDCISA-N 2 2 384.351 3.415 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000655761482 566844758 /nfs/dbraw/zinc/84/47/58/566844758.db2.gz JJWYLNKNQWVXDV-OAHLLOKOSA-N 2 2 386.297 3.244 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1O ZINC000490399208 566846750 /nfs/dbraw/zinc/84/67/50/566846750.db2.gz LLGQGVSYOJFOAB-SWLSCSKDSA-N 2 2 380.286 3.443 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cc1O ZINC000490399208 566846756 /nfs/dbraw/zinc/84/67/56/566846756.db2.gz LLGQGVSYOJFOAB-SWLSCSKDSA-N 2 2 380.286 3.443 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1O ZINC000490399203 566847672 /nfs/dbraw/zinc/84/76/72/566847672.db2.gz LLGQGVSYOJFOAB-DOMZBBRYSA-N 2 2 380.286 3.443 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1O ZINC000490399203 566847676 /nfs/dbraw/zinc/84/76/76/566847676.db2.gz LLGQGVSYOJFOAB-DOMZBBRYSA-N 2 2 380.286 3.443 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1O ZINC000490399212 566847768 /nfs/dbraw/zinc/84/77/68/566847768.db2.gz LLGQGVSYOJFOAB-WFASDCNBSA-N 2 2 380.286 3.443 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cc1O ZINC000490399212 566847772 /nfs/dbraw/zinc/84/77/72/566847772.db2.gz LLGQGVSYOJFOAB-WFASDCNBSA-N 2 2 380.286 3.443 20 0 GGADLP C[C@H](C[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1)C[NH+]1CCOCC1 ZINC000679340724 566848713 /nfs/dbraw/zinc/84/87/13/566848713.db2.gz NMRDVJAQTZRRQZ-AYOQOUSVSA-N 2 2 397.357 3.227 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC1 ZINC000679343211 566849294 /nfs/dbraw/zinc/84/92/94/566849294.db2.gz WUXHJDGSZVJEPE-OALUTQOASA-N 2 2 397.357 3.106 20 0 GGADLP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC1 ZINC000679343213 566849328 /nfs/dbraw/zinc/84/93/28/566849328.db2.gz WUXHJDGSZVJEPE-RTBURBONSA-N 2 2 397.357 3.106 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000582329709 566850895 /nfs/dbraw/zinc/85/08/95/566850895.db2.gz GADAKYZUFLBAEE-HNNXBMFYSA-N 2 2 392.345 3.384 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000582329709 566850905 /nfs/dbraw/zinc/85/09/05/566850905.db2.gz GADAKYZUFLBAEE-HNNXBMFYSA-N 2 2 392.345 3.384 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](CO)Cc3cccc(Br)c3)n2c1 ZINC000428534811 566852414 /nfs/dbraw/zinc/85/24/14/566852414.db2.gz GMFVSWGJLOXYED-INIZCTEOSA-N 2 2 388.309 3.346 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@@H](CO)Cc3ccc(Br)cc3)n2c1 ZINC000428540089 566854309 /nfs/dbraw/zinc/85/43/09/566854309.db2.gz NRDYCIDWBAZMPP-INIZCTEOSA-N 2 2 388.309 3.346 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](CO)Cc3ccc(Br)cc3)n2c1 ZINC000428540090 566854841 /nfs/dbraw/zinc/85/48/41/566854841.db2.gz NRDYCIDWBAZMPP-MRXNPFEDSA-N 2 2 388.309 3.346 20 0 GGADLP Cc1cccn2c(C[NH2+]C[C@H](CO)Cc3cccc(Br)c3)c[nH+]c12 ZINC000428543588 566856820 /nfs/dbraw/zinc/85/68/20/566856820.db2.gz SLNURPNYTNQJIV-MRXNPFEDSA-N 2 2 388.309 3.346 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554152 566873736 /nfs/dbraw/zinc/87/37/36/566873736.db2.gz DUZBRTMDECGDLP-MLGOLLRUSA-N 2 2 379.291 3.322 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554152 566873740 /nfs/dbraw/zinc/87/37/40/566873740.db2.gz DUZBRTMDECGDLP-MLGOLLRUSA-N 2 2 379.291 3.322 20 0 GGADLP CC[NH+](CC)CCN(CCOC)Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000543397808 566878535 /nfs/dbraw/zinc/87/85/35/566878535.db2.gz HMYCGNUASGCLEH-UHFFFAOYSA-N 2 2 397.361 3.195 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000563428640 566884043 /nfs/dbraw/zinc/88/40/43/566884043.db2.gz FNTCLUGTEKPNDW-INIZCTEOSA-N 2 2 383.330 3.144 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000563428640 566884050 /nfs/dbraw/zinc/88/40/50/566884050.db2.gz FNTCLUGTEKPNDW-INIZCTEOSA-N 2 2 383.330 3.144 20 0 GGADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988394 566887159 /nfs/dbraw/zinc/88/71/59/566887159.db2.gz PHHJIVYTFVMFNW-JTDSTZFVSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988394 566887163 /nfs/dbraw/zinc/88/71/63/566887163.db2.gz PHHJIVYTFVMFNW-JTDSTZFVSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@@H](c1ccccc1Br)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988392 566887675 /nfs/dbraw/zinc/88/76/75/566887675.db2.gz PHHJIVYTFVMFNW-GJYPPUQNSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@@H](c1ccccc1Br)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490988392 566887681 /nfs/dbraw/zinc/88/76/81/566887681.db2.gz PHHJIVYTFVMFNW-GJYPPUQNSA-N 2 2 380.374 3.468 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000656255393 566890544 /nfs/dbraw/zinc/89/05/44/566890544.db2.gz KTXCDAAGHFEMHE-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000656255393 566890545 /nfs/dbraw/zinc/89/05/45/566890545.db2.gz KTXCDAAGHFEMHE-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000656255393 566890546 /nfs/dbraw/zinc/89/05/46/566890546.db2.gz KTXCDAAGHFEMHE-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000656255393 566890548 /nfs/dbraw/zinc/89/05/48/566890548.db2.gz KTXCDAAGHFEMHE-DNVCBOLYSA-N 2 2 389.341 3.469 20 0 GGADLP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000491056497 566892460 /nfs/dbraw/zinc/89/24/60/566892460.db2.gz BINFSESEEOOHMB-ZWKOTPCHSA-N 2 2 381.289 3.190 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@@H+]3CCSCC[C@H]3C)n2)CC1 ZINC000428954091 566892440 /nfs/dbraw/zinc/89/24/40/566892440.db2.gz HWLDSXWQJJURJE-OAHLLOKOSA-N 2 2 382.599 3.141 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[N@H+]3CCSCC[C@H]3C)n2)CC1 ZINC000428954091 566892444 /nfs/dbraw/zinc/89/24/44/566892444.db2.gz HWLDSXWQJJURJE-OAHLLOKOSA-N 2 2 382.599 3.141 20 0 GGADLP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000518621136 566895028 /nfs/dbraw/zinc/89/50/28/566895028.db2.gz BMTAMEJXBSTOBG-GOEBONIOSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000518621136 566895031 /nfs/dbraw/zinc/89/50/31/566895031.db2.gz BMTAMEJXBSTOBG-GOEBONIOSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000518621136 566895037 /nfs/dbraw/zinc/89/50/37/566895037.db2.gz BMTAMEJXBSTOBG-GOEBONIOSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000518621136 566895047 /nfs/dbraw/zinc/89/50/47/566895047.db2.gz BMTAMEJXBSTOBG-GOEBONIOSA-N 2 2 385.371 3.373 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000656260508 566895072 /nfs/dbraw/zinc/89/50/72/566895072.db2.gz QLGXIMSVBVJHMG-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000656260508 566895080 /nfs/dbraw/zinc/89/50/80/566895080.db2.gz QLGXIMSVBVJHMG-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000656260508 566895089 /nfs/dbraw/zinc/89/50/89/566895089.db2.gz QLGXIMSVBVJHMG-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP Cc1nn(-c2ccccc2Br)cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000656260508 566895108 /nfs/dbraw/zinc/89/51/08/566895108.db2.gz QLGXIMSVBVJHMG-IBGZPJMESA-N 2 2 389.341 3.471 20 0 GGADLP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)cc(F)c3F)CC2)C1 ZINC000582851934 566900884 /nfs/dbraw/zinc/90/08/84/566900884.db2.gz TXWQIQMNTQEQIO-ZBFHGGJFSA-N 2 2 389.284 3.446 20 0 GGADLP C[C@@]1(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCC[NH2+]C1 ZINC000563624606 566901911 /nfs/dbraw/zinc/90/19/11/566901911.db2.gz WHXBCVSQKKZVBX-IEBWSBKVSA-N 2 2 394.357 3.092 20 0 GGADLP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc(-c2ccc(Br)cc2)no1 ZINC000656496802 566904838 /nfs/dbraw/zinc/90/48/38/566904838.db2.gz WJCMHKJLWIKPEZ-LLVKDONJSA-N 2 2 376.258 3.126 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)C3CC[NH+](C)CC3)[nH+]c12 ZINC000680469364 566910329 /nfs/dbraw/zinc/91/03/29/566910329.db2.gz DPUIQCFALNSDKB-AWEZNQCLSA-N 3 2 379.346 3.268 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3cnc4ccccn34)[nH+]c12 ZINC000680483119 566910396 /nfs/dbraw/zinc/91/03/96/566910396.db2.gz SSQMDXZCLSLKCI-UHFFFAOYSA-N 2 2 384.281 3.385 20 0 GGADLP CN(C)c1[nH+]cc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)n1C ZINC000519109734 566919559 /nfs/dbraw/zinc/91/95/59/566919559.db2.gz CMGXNXLJGJXNAS-UHFFFAOYSA-N 2 2 393.329 3.044 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470982420 566920120 /nfs/dbraw/zinc/92/01/20/566920120.db2.gz KXXSJEDSGAMLEA-GOEBONIOSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470982420 566920126 /nfs/dbraw/zinc/92/01/26/566920126.db2.gz KXXSJEDSGAMLEA-GOEBONIOSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470982420 566920134 /nfs/dbraw/zinc/92/01/34/566920134.db2.gz KXXSJEDSGAMLEA-GOEBONIOSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470982420 566920140 /nfs/dbraw/zinc/92/01/40/566920140.db2.gz KXXSJEDSGAMLEA-GOEBONIOSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470983286 566920209 /nfs/dbraw/zinc/92/02/09/566920209.db2.gz NWSRJWAVYLWFLZ-GDBMZVCRSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470983286 566920218 /nfs/dbraw/zinc/92/02/18/566920218.db2.gz NWSRJWAVYLWFLZ-GDBMZVCRSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470983286 566920226 /nfs/dbraw/zinc/92/02/26/566920226.db2.gz NWSRJWAVYLWFLZ-GDBMZVCRSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470983286 566920238 /nfs/dbraw/zinc/92/02/38/566920238.db2.gz NWSRJWAVYLWFLZ-GDBMZVCRSA-N 2 2 394.357 3.440 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)CCC2 ZINC000563881464 566925443 /nfs/dbraw/zinc/92/54/43/566925443.db2.gz JDUWHGHRNXXYFF-HIFRSBDPSA-N 2 2 384.307 3.405 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195062 566928011 /nfs/dbraw/zinc/92/80/11/566928011.db2.gz IHJDKKUVVNKHHC-CLCXKQKWSA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000492195062 566928018 /nfs/dbraw/zinc/92/80/18/566928018.db2.gz IHJDKKUVVNKHHC-CLCXKQKWSA-N 2 2 378.358 3.348 20 0 GGADLP O=S(=O)(CC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000583199029 566928447 /nfs/dbraw/zinc/92/84/47/566928447.db2.gz VKQPHNCBFXTCHW-KRWDZBQOSA-N 2 2 378.563 3.024 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+][C@@H](CO)c3ccc(Br)c(F)c3)n2c1 ZINC000492195457 566928394 /nfs/dbraw/zinc/92/83/94/566928394.db2.gz WDMVOZDNDJXVAD-INIZCTEOSA-N 2 2 378.245 3.368 20 0 GGADLP COc1c(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc1Br ZINC000583251009 566933564 /nfs/dbraw/zinc/93/35/64/566933564.db2.gz HSEHCHRAYWUJFQ-JTQLQIEISA-N 2 2 378.108 3.062 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000583258580 566935013 /nfs/dbraw/zinc/93/50/13/566935013.db2.gz OUCADEQZSUDAHJ-APWZRJJASA-N 2 2 378.563 3.195 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]CCS(=O)(=O)c2ccccc2)[C@H]1c1cccs1 ZINC000583258580 566935021 /nfs/dbraw/zinc/93/50/21/566935021.db2.gz OUCADEQZSUDAHJ-APWZRJJASA-N 2 2 378.563 3.195 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429554362 566936828 /nfs/dbraw/zinc/93/68/28/566936828.db2.gz IXZOGAZXCOXBLO-MAUKXSAKSA-N 2 2 396.373 3.212 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429554362 566936830 /nfs/dbraw/zinc/93/68/30/566936830.db2.gz IXZOGAZXCOXBLO-MAUKXSAKSA-N 2 2 396.373 3.212 20 0 GGADLP CC[C@@H]([NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)[C@H](O)C(F)(F)F ZINC000544179451 566947119 /nfs/dbraw/zinc/94/71/19/566947119.db2.gz SLXXXGPOMWUSDX-NEPJUHHUSA-N 2 2 380.208 3.197 20 0 GGADLP CC(C)n1cc[nH+]c1CNc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000656776251 566948143 /nfs/dbraw/zinc/94/81/43/566948143.db2.gz FHGTXTNUZGEPMH-UHFFFAOYSA-N 2 2 380.290 3.070 20 0 GGADLP C[C@H]1COCC[N@@H+]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000519614635 566952194 /nfs/dbraw/zinc/95/21/94/566952194.db2.gz QRGMULFXIPFHCF-HNNXBMFYSA-N 2 2 383.330 3.013 20 0 GGADLP C[C@H]1COCC[N@H+]1C1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000519614635 566952198 /nfs/dbraw/zinc/95/21/98/566952198.db2.gz QRGMULFXIPFHCF-HNNXBMFYSA-N 2 2 383.330 3.013 20 0 GGADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000519612717 566952232 /nfs/dbraw/zinc/95/22/32/566952232.db2.gz ZQILVYDYKINNAV-WBVHZDCISA-N 2 2 389.284 3.446 20 0 GGADLP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)cc(F)c2F)CC1 ZINC000519612701 566952300 /nfs/dbraw/zinc/95/23/00/566952300.db2.gz ZQILVYDYKINNAV-NVXWUHKLSA-N 2 2 389.284 3.446 20 0 GGADLP COC(=O)[C@@H]1CC12CC[NH+](Cc1c[nH+]c3c(C)cc(Br)cn13)CC2 ZINC000544347546 566955821 /nfs/dbraw/zinc/95/58/21/566955821.db2.gz ZACJEFJEPMIXLU-HNNXBMFYSA-N 2 2 392.297 3.180 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000564318702 566963522 /nfs/dbraw/zinc/96/35/22/566963522.db2.gz FLTFGDKIGPMLEZ-GFCCVEGCSA-N 2 2 377.279 3.297 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000564318702 566963528 /nfs/dbraw/zinc/96/35/28/566963528.db2.gz FLTFGDKIGPMLEZ-GFCCVEGCSA-N 2 2 377.279 3.297 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000493951104 566963746 /nfs/dbraw/zinc/96/37/46/566963746.db2.gz AARSEVMXUJBYNB-JJRVBVJISA-N 2 2 382.346 3.028 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000493951103 566963905 /nfs/dbraw/zinc/96/39/05/566963905.db2.gz AARSEVMXUJBYNB-GRDNDAEWSA-N 2 2 382.346 3.028 20 0 GGADLP CN(C(=O)Nc1ccc(Br)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681371227 566970083 /nfs/dbraw/zinc/97/00/83/566970083.db2.gz KICWGRCMKLDCPB-QGZVFWFLSA-N 2 2 395.345 3.081 20 0 GGADLP CN(C(=O)Nc1ccc(Br)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681371227 566970084 /nfs/dbraw/zinc/97/00/84/566970084.db2.gz KICWGRCMKLDCPB-QGZVFWFLSA-N 2 2 395.345 3.081 20 0 GGADLP COc1ccc(C)cc1C[NH+]1CCN(c2cc[nH+]cc2Br)CC1 ZINC000681372879 566970679 /nfs/dbraw/zinc/97/06/79/566970679.db2.gz TZFMHIOQSCEKRO-UHFFFAOYSA-N 2 2 376.298 3.483 20 0 GGADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000430135753 566989203 /nfs/dbraw/zinc/98/92/03/566989203.db2.gz UMVQGZAMRHZAEL-GOSISDBHSA-N 2 2 375.314 3.162 20 0 GGADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000430135753 566989208 /nfs/dbraw/zinc/98/92/08/566989208.db2.gz UMVQGZAMRHZAEL-GOSISDBHSA-N 2 2 375.314 3.162 20 0 GGADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000430135753 566989212 /nfs/dbraw/zinc/98/92/12/566989212.db2.gz UMVQGZAMRHZAEL-GOSISDBHSA-N 2 2 375.314 3.162 20 0 GGADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)C2)C1 ZINC000430135753 566989219 /nfs/dbraw/zinc/98/92/19/566989219.db2.gz UMVQGZAMRHZAEL-GOSISDBHSA-N 2 2 375.314 3.162 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000494411398 566998881 /nfs/dbraw/zinc/99/88/81/566998881.db2.gz IULSVWJWOLRFLR-MRXNPFEDSA-N 2 2 394.313 3.166 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)[N@H+]3[C@H](C)CC[C@@H]3C)[nH+]c12 ZINC000544858195 567002686 /nfs/dbraw/zinc/00/26/86/567002686.db2.gz DFFVWEMYNNDPKP-MJBXVCDLSA-N 2 2 393.329 3.283 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)[nH+]c12 ZINC000544858195 567002693 /nfs/dbraw/zinc/00/26/93/567002693.db2.gz DFFVWEMYNNDPKP-MJBXVCDLSA-N 2 2 393.329 3.283 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000584001872 567003519 /nfs/dbraw/zinc/00/35/19/567003519.db2.gz CKHMGNHTYZZSQE-CYBMUJFWSA-N 2 2 377.286 3.001 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000584001872 567003523 /nfs/dbraw/zinc/00/35/23/567003523.db2.gz CKHMGNHTYZZSQE-CYBMUJFWSA-N 2 2 377.286 3.001 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)CCC2 ZINC000584048327 567006476 /nfs/dbraw/zinc/00/64/76/567006476.db2.gz LUZSMYGPRGYVQS-KBPBESRZSA-N 2 2 384.307 3.405 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1Cl ZINC000564791803 567007573 /nfs/dbraw/zinc/00/75/73/567007573.db2.gz IPHSMGPVAWWGSD-WMZOPIPTSA-N 2 2 378.925 3.326 20 0 GGADLP CSc1ccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000564790375 567007603 /nfs/dbraw/zinc/00/76/03/567007603.db2.gz TXJCSFBGOGGVLB-UHFFFAOYSA-N 2 2 378.563 3.471 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472262082 567013150 /nfs/dbraw/zinc/01/31/50/567013150.db2.gz LNPADZDXSLHJEJ-OAHLLOKOSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000472262082 567013154 /nfs/dbraw/zinc/01/31/54/567013154.db2.gz LNPADZDXSLHJEJ-OAHLLOKOSA-N 2 2 388.339 3.365 20 0 GGADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000430556484 567021453 /nfs/dbraw/zinc/02/14/53/567021453.db2.gz UMECINICQAIPOY-CQSZACIVSA-N 2 2 396.251 3.369 20 0 GGADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000613325061 567031727 /nfs/dbraw/zinc/03/17/27/567031727.db2.gz PWPDGCJWPYCWFW-UHFFFAOYSA-N 2 2 377.941 3.274 20 0 GGADLP C[C@H]1C[NH+](Cc2ccc(CNc3cc[nH+]cc3Br)cc2)C[C@H](C)O1 ZINC000545240272 567032648 /nfs/dbraw/zinc/03/26/48/567032648.db2.gz LAQUYQNYAXXRJO-GJZGRUSLSA-N 2 2 390.325 3.487 20 0 GGADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430932421 567040519 /nfs/dbraw/zinc/04/05/19/567040519.db2.gz GKKUNYSYGBFFSU-NOZJJQNGSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000430932421 567040528 /nfs/dbraw/zinc/04/05/28/567040528.db2.gz GKKUNYSYGBFFSU-NOZJJQNGSA-N 2 2 394.235 3.076 20 0 GGADLP COc1ccc(Br)cc1-c1nc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cs1 ZINC000613553317 567043697 /nfs/dbraw/zinc/04/36/97/567043697.db2.gz YTHURPPJTYOLQG-RYUDHWBXSA-N 2 2 394.338 3.232 20 0 GGADLP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1c(Cl)cccc1C(F)(F)F ZINC000431014222 567046617 /nfs/dbraw/zinc/04/66/17/567046617.db2.gz MIVWBURDQKBKEA-UHFFFAOYSA-N 2 2 375.822 3.373 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(Br)c1 ZINC000431040653 567049006 /nfs/dbraw/zinc/04/90/06/567049006.db2.gz XMEMORSTGMNRHM-AWEZNQCLSA-N 2 2 380.330 3.160 20 0 GGADLP Cc1[nH+]cc(C[NH2+]Cc2cc(Cl)cc(I)c2)n1C ZINC000565242450 567050522 /nfs/dbraw/zinc/05/05/22/567050522.db2.gz OANIDYSEPOIKMO-UHFFFAOYSA-N 2 2 375.641 3.276 20 0 GGADLP [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000431065657 567050818 /nfs/dbraw/zinc/05/08/18/567050818.db2.gz OQKCPFVHZKCEOJ-CABCVRRESA-N 2 2 379.302 3.011 20 0 GGADLP O[C@H](C[NH2+]CCc1cn2c([nH+]1)CCCC2)COc1cc(Cl)cc(Cl)c1 ZINC000634700378 567053935 /nfs/dbraw/zinc/05/39/35/567053935.db2.gz YUDSPYYJOGCUTG-MRXNPFEDSA-N 2 2 384.307 3.098 20 0 GGADLP Brc1ccc(CN2CCC([NH2+]Cc3c[nH+]c4n3CCC4)CC2)cc1 ZINC000657401112 567054397 /nfs/dbraw/zinc/05/43/97/567054397.db2.gz PQQUPHPOYAVEBM-UHFFFAOYSA-N 2 2 389.341 3.346 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000453107036 567054721 /nfs/dbraw/zinc/05/47/21/567054721.db2.gz HYKVCNGUELLGGI-ROUUACIJSA-N 2 2 394.357 3.146 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000453107036 567054725 /nfs/dbraw/zinc/05/47/25/567054725.db2.gz HYKVCNGUELLGGI-ROUUACIJSA-N 2 2 394.357 3.146 20 0 GGADLP CCC[NH2+][C@@H](C)C(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000584589388 567057977 /nfs/dbraw/zinc/05/79/77/567057977.db2.gz OQROXTVBIDSZKQ-HNNXBMFYSA-N 2 2 393.329 3.063 20 0 GGADLP CC[C@H]([NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)c1ccn(C)n1 ZINC000545520903 567058067 /nfs/dbraw/zinc/05/80/67/567058067.db2.gz ZQBOTKJWHMOVEQ-HNNXBMFYSA-N 2 2 376.302 3.422 20 0 GGADLP Cc1[nH+]cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)n1C ZINC000657472274 567060005 /nfs/dbraw/zinc/06/00/05/567060005.db2.gz LGNTYUPRTHGSCE-LBPRGKRZSA-N 2 2 382.302 3.103 20 0 GGADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431164966 567061280 /nfs/dbraw/zinc/06/12/80/567061280.db2.gz BJIPCHHNZRGARW-DZGCQCFKSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431164966 567061292 /nfs/dbraw/zinc/06/12/92/567061292.db2.gz BJIPCHHNZRGARW-DZGCQCFKSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431166366 567062364 /nfs/dbraw/zinc/06/23/64/567062364.db2.gz ITXCEMRXUBYVHV-GDBMZVCRSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431166366 567062372 /nfs/dbraw/zinc/06/23/72/567062372.db2.gz ITXCEMRXUBYVHV-GDBMZVCRSA-N 2 2 383.275 3.281 20 0 GGADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000453208451 567063629 /nfs/dbraw/zinc/06/36/29/567063629.db2.gz XXHIMUHTVFZINK-PWSUYJOCSA-N 2 2 385.224 3.292 20 0 GGADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)c(I)c1 ZINC000453208449 567063829 /nfs/dbraw/zinc/06/38/29/567063829.db2.gz XXHIMUHTVFZINK-CMPLNLGQSA-N 2 2 385.224 3.292 20 0 GGADLP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000682689858 567067778 /nfs/dbraw/zinc/06/77/78/567067778.db2.gz JIBBMSYHYUFJJA-KURKYZTESA-N 2 2 394.357 3.185 20 0 GGADLP O=C(CC[NH2+]CCc1cn2c([nH+]1)CCCC2)Nc1ccc(Br)cc1 ZINC000584775973 567070546 /nfs/dbraw/zinc/07/05/46/567070546.db2.gz ANFPEVOCKDRXDB-UHFFFAOYSA-N 2 2 391.313 3.143 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453269098 567071462 /nfs/dbraw/zinc/07/14/62/567071462.db2.gz QZZVOXQXGPDBPX-MJGOQNOKSA-N 2 2 381.358 3.207 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000453269098 567071464 /nfs/dbraw/zinc/07/14/64/567071464.db2.gz QZZVOXQXGPDBPX-MJGOQNOKSA-N 2 2 381.358 3.207 20 0 GGADLP C[NH+](C)CCN(Cc1c[nH+]c2ccc(Br)cn12)Cc1ccccn1 ZINC000584807440 567072255 /nfs/dbraw/zinc/07/22/55/567072255.db2.gz ZCUYRXVUZGDUIE-UHFFFAOYSA-N 2 2 388.313 3.056 20 0 GGADLP C[C@@H]1CN(C(=O)c2cc(Cl)c(F)cc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000496738795 567079586 /nfs/dbraw/zinc/07/95/86/567079586.db2.gz ORLJAXICONPMBN-GFCCVEGCSA-N 2 2 388.314 3.373 20 0 GGADLP C[C@@H]1CN(C(=O)c2cc(Cl)c(F)cc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000496738795 567079592 /nfs/dbraw/zinc/07/95/92/567079592.db2.gz ORLJAXICONPMBN-GFCCVEGCSA-N 2 2 388.314 3.373 20 0 GGADLP C[C@H]1CN(C(=O)c2cc(Cl)c(F)cc2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000496738797 567080638 /nfs/dbraw/zinc/08/06/38/567080638.db2.gz ORLJAXICONPMBN-LBPRGKRZSA-N 2 2 388.314 3.373 20 0 GGADLP C[C@H]1CN(C(=O)c2cc(Cl)c(F)cc2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000496738797 567080642 /nfs/dbraw/zinc/08/06/42/567080642.db2.gz ORLJAXICONPMBN-LBPRGKRZSA-N 2 2 388.314 3.373 20 0 GGADLP Cc1cc(Br)c(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)s1 ZINC000453566927 567091064 /nfs/dbraw/zinc/09/10/64/567091064.db2.gz GFNCGAWEOWFJGV-MRXNPFEDSA-N 2 2 395.366 3.328 20 0 GGADLP Cc1cc(Br)c(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)s1 ZINC000453566927 567091068 /nfs/dbraw/zinc/09/10/68/567091068.db2.gz GFNCGAWEOWFJGV-MRXNPFEDSA-N 2 2 395.366 3.328 20 0 GGADLP Cc1cc(Br)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000453586316 567093824 /nfs/dbraw/zinc/09/38/24/567093824.db2.gz YGEZTSUDYGXLAT-CZUORRHYSA-N 2 2 386.403 3.277 20 0 GGADLP Cc1cc[nH+]cc1CCC[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000565744723 567094998 /nfs/dbraw/zinc/09/49/98/567094998.db2.gz ZLCSSCPELFYTFV-GOSISDBHSA-N 2 2 388.309 3.480 20 0 GGADLP Cc1[nH+]cc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)n1C ZINC000565785618 567099785 /nfs/dbraw/zinc/09/97/85/567099785.db2.gz AKSIBBBWFZYQMM-UHFFFAOYSA-N 2 2 378.314 3.329 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)[NH+]3CCCCCC3)[nH+]c12 ZINC000546112138 567105771 /nfs/dbraw/zinc/10/57/71/567105771.db2.gz JGZFMFMPASBSBK-AWEZNQCLSA-N 2 2 393.329 3.286 20 0 GGADLP Cc1cc(Br)cn2cc(CNC(=O)Cn3cc[nH+]c3C(C)C)[nH+]c12 ZINC000635796998 567113202 /nfs/dbraw/zinc/11/32/02/567113202.db2.gz GORHFCZOFRDKES-UHFFFAOYSA-N 2 2 390.285 3.042 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000565959880 567114648 /nfs/dbraw/zinc/11/46/48/567114648.db2.gz TXLADTDDYRWNFH-AWEZNQCLSA-N 2 2 384.351 3.414 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)[nH+]c12 ZINC000546229027 567115665 /nfs/dbraw/zinc/11/56/65/567115665.db2.gz ZYIFFILTTYTXKE-ZACQAIPSSA-N 2 2 390.325 3.495 20 0 GGADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1cccc(Br)c1 ZINC000683365889 567117732 /nfs/dbraw/zinc/11/77/32/567117732.db2.gz XGJZWDZYIFHSHH-SJORKVTESA-N 2 2 389.297 3.088 20 0 GGADLP O=C1[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1cccc(Br)c1 ZINC000683365889 567117736 /nfs/dbraw/zinc/11/77/36/567117736.db2.gz XGJZWDZYIFHSHH-SJORKVTESA-N 2 2 389.297 3.088 20 0 GGADLP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294889 567134620 /nfs/dbraw/zinc/13/46/20/567134620.db2.gz PSYBYSGOCBGWQD-RDTXWAMCSA-N 2 2 383.305 3.418 20 0 GGADLP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)c1cscn1 ZINC000566179901 567135707 /nfs/dbraw/zinc/13/57/07/567135707.db2.gz WMRKXEFVICIZEK-MRXNPFEDSA-N 2 2 399.347 3.231 20 0 GGADLP C[NH+](C)CC1CC[NH+](Cc2c(F)ccc(I)c2F)CC1 ZINC000474154545 567142109 /nfs/dbraw/zinc/14/21/09/567142109.db2.gz YXUWYSOHCWDGOW-UHFFFAOYSA-N 2 2 394.247 3.343 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000546619980 567142852 /nfs/dbraw/zinc/14/28/52/567142852.db2.gz TXUOBGYXLIEJPZ-SFHVURJKSA-N 2 2 395.341 3.444 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@H](C)C1 ZINC000546932653 567172045 /nfs/dbraw/zinc/17/20/45/567172045.db2.gz XMPGCCCAXSSLQE-PBHICJAKSA-N 3 2 379.346 3.268 20 0 GGADLP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@H](C)C1 ZINC000546932653 567172047 /nfs/dbraw/zinc/17/20/47/567172047.db2.gz XMPGCCCAXSSLQE-PBHICJAKSA-N 3 2 379.346 3.268 20 0 GGADLP CN(C(=O)Cc1cccc(Cl)c1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000684048792 567172733 /nfs/dbraw/zinc/17/27/33/567172733.db2.gz GPOCNRQEBMYSDH-MRXNPFEDSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1cccc(Cl)c1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000684048792 567172740 /nfs/dbraw/zinc/17/27/40/567172740.db2.gz GPOCNRQEBMYSDH-MRXNPFEDSA-N 2 2 384.351 3.163 20 0 GGADLP C[NH+](C)CC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000589307503 567173808 /nfs/dbraw/zinc/17/38/08/567173808.db2.gz ZFASQGKUUBTFTD-UHFFFAOYSA-N 2 2 377.941 3.274 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000474475549 567174264 /nfs/dbraw/zinc/17/42/64/567174264.db2.gz MWBRBQDQHBEREZ-MNOVXSKESA-N 2 2 392.231 3.286 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000474475549 567174269 /nfs/dbraw/zinc/17/42/69/567174269.db2.gz MWBRBQDQHBEREZ-MNOVXSKESA-N 2 2 392.231 3.286 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H](C)CCc1ccc(I)cc1 ZINC000474479172 567174564 /nfs/dbraw/zinc/17/45/64/567174564.db2.gz QTLRGQZKXKNRTE-UONOGXRCSA-N 2 2 383.277 3.487 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000474475555 567174615 /nfs/dbraw/zinc/17/46/15/567174615.db2.gz MWBRBQDQHBEREZ-WDEREUQCSA-N 2 2 392.231 3.286 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000474475555 567174622 /nfs/dbraw/zinc/17/46/22/567174622.db2.gz MWBRBQDQHBEREZ-WDEREUQCSA-N 2 2 392.231 3.286 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000474475551 567174652 /nfs/dbraw/zinc/17/46/52/567174652.db2.gz MWBRBQDQHBEREZ-QWRGUYRKSA-N 2 2 392.231 3.286 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000474475551 567174657 /nfs/dbraw/zinc/17/46/57/567174657.db2.gz MWBRBQDQHBEREZ-QWRGUYRKSA-N 2 2 392.231 3.286 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]CCCc2ccc(C)[nH+]c2)s1 ZINC000474606592 567182819 /nfs/dbraw/zinc/18/28/19/567182819.db2.gz MGNIXEPCLCYYIV-UHFFFAOYSA-N 2 2 381.567 3.204 20 0 GGADLP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000474726477 567193742 /nfs/dbraw/zinc/19/37/42/567193742.db2.gz HNCKCWPXUULSQL-BBRMVZONSA-N 2 2 384.305 3.439 20 0 GGADLP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000474726477 567193749 /nfs/dbraw/zinc/19/37/49/567193749.db2.gz HNCKCWPXUULSQL-BBRMVZONSA-N 2 2 384.305 3.439 20 0 GGADLP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000474726487 567194847 /nfs/dbraw/zinc/19/48/47/567194847.db2.gz HNCKCWPXUULSQL-XJKSGUPXSA-N 2 2 384.305 3.439 20 0 GGADLP C[C@@H](CCc1ccc(I)cc1)[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000474726487 567194852 /nfs/dbraw/zinc/19/48/52/567194852.db2.gz HNCKCWPXUULSQL-XJKSGUPXSA-N 2 2 384.305 3.439 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)C1 ZINC000547279810 567195085 /nfs/dbraw/zinc/19/50/85/567195085.db2.gz XLDQPDDKCMYDPO-RBUKOAKNSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)C1 ZINC000547279810 567195088 /nfs/dbraw/zinc/19/50/88/567195088.db2.gz XLDQPDDKCMYDPO-RBUKOAKNSA-N 2 2 393.300 3.334 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)CC[N@@H+]1C ZINC000474817416 567201992 /nfs/dbraw/zinc/20/19/92/567201992.db2.gz OGYVTHAGXRMEFP-ZJUUUORDSA-N 2 2 380.220 3.142 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2c(F)ccc(I)c2F)CC[N@H+]1C ZINC000474817416 567201997 /nfs/dbraw/zinc/20/19/97/567201997.db2.gz OGYVTHAGXRMEFP-ZJUUUORDSA-N 2 2 380.220 3.142 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+]CCC[NH+]1CCCC1 ZINC000474888203 567207898 /nfs/dbraw/zinc/20/78/98/567207898.db2.gz OLVCIAPKYQSEPL-UHFFFAOYSA-N 2 2 380.220 3.145 20 0 GGADLP COC(=O)C(C)(C)CC[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000474929336 567210924 /nfs/dbraw/zinc/21/09/24/567210924.db2.gz IWJSQWXEJBPIHM-UHFFFAOYSA-N 2 2 382.302 3.127 20 0 GGADLP CC[NH+]1CCN(Cc2ccccc2CNc2cc[nH+]cc2Br)CC1 ZINC000547503793 567215360 /nfs/dbraw/zinc/21/53/60/567215360.db2.gz UNMOGBGIKQFASG-UHFFFAOYSA-N 2 2 389.341 3.016 20 0 GGADLP CCN1CC[NH+](Cc2ccccc2CNc2cc[nH+]cc2Br)CC1 ZINC000547503793 567215365 /nfs/dbraw/zinc/21/53/65/567215365.db2.gz UNMOGBGIKQFASG-UHFFFAOYSA-N 2 2 389.341 3.016 20 0 GGADLP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000524961567 567223043 /nfs/dbraw/zinc/22/30/43/567223043.db2.gz VRZLPBIVLSXBFC-SFHVURJKSA-N 2 2 377.941 3.179 20 0 GGADLP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000524961567 567223052 /nfs/dbraw/zinc/22/30/52/567223052.db2.gz VRZLPBIVLSXBFC-SFHVURJKSA-N 2 2 377.941 3.179 20 0 GGADLP FC(F)(F)COc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000659851041 567232533 /nfs/dbraw/zinc/23/25/33/567232533.db2.gz XXGLKNRJZPNBEP-TXEJJXNPSA-N 2 2 379.220 3.041 20 0 GGADLP FC(F)(F)COc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1Br ZINC000659851041 567232538 /nfs/dbraw/zinc/23/25/38/567232538.db2.gz XXGLKNRJZPNBEP-TXEJJXNPSA-N 2 2 379.220 3.041 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000525196077 567234750 /nfs/dbraw/zinc/23/47/50/567234750.db2.gz WMRXHEHGBAUOPD-WMLDXEAASA-N 2 2 385.346 3.437 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000525196077 567234757 /nfs/dbraw/zinc/23/47/57/567234757.db2.gz WMRXHEHGBAUOPD-WMLDXEAASA-N 2 2 385.346 3.437 20 0 GGADLP Cc1[nH+]c2ccccc2n1CCC[NH2+]Cc1cnn2cc(Br)cnc12 ZINC000638297782 567241262 /nfs/dbraw/zinc/24/12/62/567241262.db2.gz LIUALMKPSDCBCS-UHFFFAOYSA-N 2 2 399.296 3.330 20 0 GGADLP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000567598732 567259387 /nfs/dbraw/zinc/25/93/87/567259387.db2.gz LAOJEOLZNQXNLH-KDOFPFPSSA-N 2 2 386.323 3.150 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1F ZINC000591082614 567265091 /nfs/dbraw/zinc/26/50/91/567265091.db2.gz SAUYTNZYBKJGTI-CQSZACIVSA-N 2 2 395.276 3.450 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1F ZINC000591082614 567265095 /nfs/dbraw/zinc/26/50/95/567265095.db2.gz SAUYTNZYBKJGTI-CQSZACIVSA-N 2 2 395.276 3.450 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083463 567265178 /nfs/dbraw/zinc/26/51/78/567265178.db2.gz WEQRUCIZGFWKNN-XJKSGUPXSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000591083463 567265182 /nfs/dbraw/zinc/26/51/82/567265182.db2.gz WEQRUCIZGFWKNN-XJKSGUPXSA-N 2 2 377.286 3.310 20 0 GGADLP Brc1cnc2c(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cnn2c1 ZINC000638722235 567265870 /nfs/dbraw/zinc/26/58/70/567265870.db2.gz VZCKQNXJRUSJQQ-UHFFFAOYSA-N 2 2 392.345 3.379 20 0 GGADLP O[C@H](C[NH2+]Cc1sccc1Br)C[N@@H+]1CCc2ccccc2C1 ZINC000567682443 567267646 /nfs/dbraw/zinc/26/76/46/567267646.db2.gz RFYAXQACEARPSS-OAHLLOKOSA-N 2 2 381.339 3.019 20 0 GGADLP O[C@H](C[NH2+]Cc1sccc1Br)C[N@H+]1CCc2ccccc2C1 ZINC000567682443 567267653 /nfs/dbraw/zinc/26/76/53/567267653.db2.gz RFYAXQACEARPSS-OAHLLOKOSA-N 2 2 381.339 3.019 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412641 567271769 /nfs/dbraw/zinc/27/17/69/567271769.db2.gz URLWXTQAIOADBI-LSDHHAIUSA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412641 567271772 /nfs/dbraw/zinc/27/17/72/567271772.db2.gz URLWXTQAIOADBI-LSDHHAIUSA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412641 567271773 /nfs/dbraw/zinc/27/17/73/567271773.db2.gz URLWXTQAIOADBI-LSDHHAIUSA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412641 567271775 /nfs/dbraw/zinc/27/17/75/567271775.db2.gz URLWXTQAIOADBI-LSDHHAIUSA-N 2 2 378.567 3.294 20 0 GGADLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000591357048 567277667 /nfs/dbraw/zinc/27/76/67/567277667.db2.gz LKYONEVGDBTAFF-LBPRGKRZSA-N 2 2 376.257 3.250 20 0 GGADLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)cc2I)C1 ZINC000591357048 567277672 /nfs/dbraw/zinc/27/76/72/567277672.db2.gz LKYONEVGDBTAFF-LBPRGKRZSA-N 2 2 376.257 3.250 20 0 GGADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc(Br)ccc1Cl ZINC000638986917 567280779 /nfs/dbraw/zinc/28/07/79/567280779.db2.gz HNRTVCNXOWWZJU-UHFFFAOYSA-N 2 2 395.688 3.159 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+](C)CCC[NH+]1CCCC1 ZINC000499930607 567286331 /nfs/dbraw/zinc/28/63/31/567286331.db2.gz VJVQDXGMIYFOMI-INIZCTEOSA-N 2 2 396.373 3.214 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499930607 567286335 /nfs/dbraw/zinc/28/63/35/567286335.db2.gz VJVQDXGMIYFOMI-INIZCTEOSA-N 2 2 396.373 3.214 20 0 GGADLP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1OC(F)F ZINC000567870500 567286984 /nfs/dbraw/zinc/28/69/84/567286984.db2.gz FDPMHHFAIHUOCF-DGCLKSJQSA-N 2 2 375.257 3.400 20 0 GGADLP Cc1cc(Br)cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1OC(F)F ZINC000567870500 567286991 /nfs/dbraw/zinc/28/69/91/567286991.db2.gz FDPMHHFAIHUOCF-DGCLKSJQSA-N 2 2 375.257 3.400 20 0 GGADLP C[N@@H+](Cc1ccc(Br)cn1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434006927 567287742 /nfs/dbraw/zinc/28/77/42/567287742.db2.gz DOLWNWNHGAXICD-YJBOKZPZSA-N 2 2 375.314 3.364 20 0 GGADLP C[N@H+](Cc1ccc(Br)cn1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000434006927 567287745 /nfs/dbraw/zinc/28/77/45/567287745.db2.gz DOLWNWNHGAXICD-YJBOKZPZSA-N 2 2 375.314 3.364 20 0 GGADLP C[NH+](Cc1ccc(Br)cn1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000434006927 567287748 /nfs/dbraw/zinc/28/77/48/567287748.db2.gz DOLWNWNHGAXICD-YJBOKZPZSA-N 2 2 375.314 3.364 20 0 GGADLP C[NH+](Cc1ccc(Br)cn1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434006927 567287752 /nfs/dbraw/zinc/28/77/52/567287752.db2.gz DOLWNWNHGAXICD-YJBOKZPZSA-N 2 2 375.314 3.364 20 0 GGADLP Brc1ccc(OCC[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660471868 567298969 /nfs/dbraw/zinc/29/89/69/567298969.db2.gz ZRQOEJVBBQXMRC-KRWDZBQOSA-N 2 2 383.330 3.015 20 0 GGADLP Brc1ccc(OCC[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000660471868 567298976 /nfs/dbraw/zinc/29/89/76/567298976.db2.gz ZRQOEJVBBQXMRC-KRWDZBQOSA-N 2 2 383.330 3.015 20 0 GGADLP Brc1ccn2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000685838113 567302900 /nfs/dbraw/zinc/30/29/00/567302900.db2.gz KWILXMHTJPFLGR-HNNXBMFYSA-N 2 2 377.330 3.405 20 0 GGADLP Brc1ccn2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000685838113 567302905 /nfs/dbraw/zinc/30/29/05/567302905.db2.gz KWILXMHTJPFLGR-HNNXBMFYSA-N 2 2 377.330 3.405 20 0 GGADLP Brc1ccn2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000685838114 567303412 /nfs/dbraw/zinc/30/34/12/567303412.db2.gz KWILXMHTJPFLGR-OAHLLOKOSA-N 2 2 377.330 3.405 20 0 GGADLP Brc1ccn2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)nc2c1 ZINC000685838114 567303416 /nfs/dbraw/zinc/30/34/16/567303416.db2.gz KWILXMHTJPFLGR-OAHLLOKOSA-N 2 2 377.330 3.405 20 0 GGADLP Cn1c[nH+]cc1CCC[NH+]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000568169486 567309489 /nfs/dbraw/zinc/30/94/89/567309489.db2.gz LKMXLVWKZICUCT-UHFFFAOYSA-N 2 2 381.307 3.118 20 0 GGADLP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCCc1cccc(Cl)c1Cl)C2 ZINC000660658419 567317115 /nfs/dbraw/zinc/31/71/15/567317115.db2.gz ZNTRSPUVSMPKES-IBGZPJMESA-N 2 2 384.351 3.070 20 0 GGADLP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC(=O)NCCc1cccc(Cl)c1Cl)C2 ZINC000660658419 567317120 /nfs/dbraw/zinc/31/71/20/567317120.db2.gz ZNTRSPUVSMPKES-IBGZPJMESA-N 2 2 384.351 3.070 20 0 GGADLP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C2 ZINC000660658419 567317127 /nfs/dbraw/zinc/31/71/27/567317127.db2.gz ZNTRSPUVSMPKES-IBGZPJMESA-N 2 2 384.351 3.070 20 0 GGADLP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C2 ZINC000660658419 567317131 /nfs/dbraw/zinc/31/71/31/567317131.db2.gz ZNTRSPUVSMPKES-IBGZPJMESA-N 2 2 384.351 3.070 20 0 GGADLP Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000434633848 567317080 /nfs/dbraw/zinc/31/70/80/567317080.db2.gz MDJFVCLKSKKYDJ-GKVSMKOHSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000434633848 567317088 /nfs/dbraw/zinc/31/70/88/567317088.db2.gz MDJFVCLKSKKYDJ-GKVSMKOHSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000434633848 567317094 /nfs/dbraw/zinc/31/70/94/567317094.db2.gz MDJFVCLKSKKYDJ-GKVSMKOHSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([S@](C)=O)cc2)C1 ZINC000434633848 567317099 /nfs/dbraw/zinc/31/70/99/567317099.db2.gz MDJFVCLKSKKYDJ-GKVSMKOHSA-N 2 2 377.579 3.143 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655171 567317751 /nfs/dbraw/zinc/31/77/51/567317751.db2.gz LDQJGFYLUBHAQY-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660655171 567317760 /nfs/dbraw/zinc/31/77/60/567317760.db2.gz LDQJGFYLUBHAQY-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660655171 567317764 /nfs/dbraw/zinc/31/77/64/567317764.db2.gz LDQJGFYLUBHAQY-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660655171 567317771 /nfs/dbraw/zinc/31/77/71/567317771.db2.gz LDQJGFYLUBHAQY-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCCCCc2ccc(Cl)s2)CC1 ZINC000500416347 567319261 /nfs/dbraw/zinc/31/92/61/567319261.db2.gz VHUBPLHHZQPDSJ-UHFFFAOYSA-N 2 2 386.993 3.049 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000568512157 567335046 /nfs/dbraw/zinc/33/50/46/567335046.db2.gz ITKWRWXPIXKMJW-OAHLLOKOSA-N 2 2 380.330 3.018 20 0 GGADLP O=C(C[N@@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)NCc1ccc(Cl)s1 ZINC000548664979 567340806 /nfs/dbraw/zinc/34/08/06/567340806.db2.gz ISQVPIHTAUEICT-ZDUSSCGKSA-N 2 2 378.929 3.040 20 0 GGADLP O=C(C[N@H+]1CC[C@H](n2c[nH+]c3c2CCCC3)C1)NCc1ccc(Cl)s1 ZINC000548664979 567340812 /nfs/dbraw/zinc/34/08/12/567340812.db2.gz ISQVPIHTAUEICT-ZDUSSCGKSA-N 2 2 378.929 3.040 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000527518357 567341051 /nfs/dbraw/zinc/34/10/51/567341051.db2.gz PALXMGYWWAFZNW-SNVBAGLBSA-N 2 2 380.220 3.001 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000527518357 567341055 /nfs/dbraw/zinc/34/10/55/567341055.db2.gz PALXMGYWWAFZNW-SNVBAGLBSA-N 2 2 380.220 3.001 20 0 GGADLP Fc1c(Br)ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1F ZINC000527663407 567357695 /nfs/dbraw/zinc/35/76/95/567357695.db2.gz ZMMRKTDCQKYQGR-GFCCVEGCSA-N 2 2 389.284 3.318 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ncc(Br)cc2F)[C@H](C)C1 ZINC000527663084 567358028 /nfs/dbraw/zinc/35/80/28/567358028.db2.gz VSZPMEYVAILRKC-CZUORRHYSA-N 2 2 388.325 3.210 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ncc(Br)cc2F)[C@H](C)C1 ZINC000527663084 567358033 /nfs/dbraw/zinc/35/80/33/567358033.db2.gz VSZPMEYVAILRKC-CZUORRHYSA-N 2 2 388.325 3.210 20 0 GGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527674320 567359517 /nfs/dbraw/zinc/35/95/17/567359517.db2.gz LIMVNCFQFHPARB-LSDHHAIUSA-N 2 2 389.284 3.195 20 0 GGADLP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527674318 567360206 /nfs/dbraw/zinc/36/02/06/567360206.db2.gz LIMVNCFQFHPARB-HUUCEWRRSA-N 2 2 389.284 3.195 20 0 GGADLP Brc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCn3cc[nH+]c3C2)s1 ZINC000527693626 567363566 /nfs/dbraw/zinc/36/35/66/567363566.db2.gz FRECFJZTITXIHU-NSHDSACASA-N 2 2 378.299 3.202 20 0 GGADLP Cn1c[nH+]cc1[C@@H]1C[C@@H]([NH2+]Cc2ncc(Cl)cc2Br)CCO1 ZINC000527693428 567363637 /nfs/dbraw/zinc/36/36/37/567363637.db2.gz DPIAYJJOKDLSOU-NHYWBVRUSA-N 2 2 385.693 3.241 20 0 GGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2F)CCCO1 ZINC000527700639 567365196 /nfs/dbraw/zinc/36/51/96/567365196.db2.gz NNMUGCRVRCTLNS-LBPRGKRZSA-N 2 2 377.273 3.318 20 0 GGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2F)CCCO1 ZINC000527700639 567365198 /nfs/dbraw/zinc/36/51/98/567365198.db2.gz NNMUGCRVRCTLNS-LBPRGKRZSA-N 2 2 377.273 3.318 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(Br)cn1 ZINC000568943347 567367638 /nfs/dbraw/zinc/36/76/38/567367638.db2.gz CTZRNONXRXLAKQ-VHSSKADRSA-N 2 2 382.346 3.263 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(Br)cn1 ZINC000568943346 567367789 /nfs/dbraw/zinc/36/77/89/567367789.db2.gz CTZRNONXRXLAKQ-MORSLUCNSA-N 2 2 382.346 3.263 20 0 GGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)c(Br)cc1F ZINC000527854661 567379627 /nfs/dbraw/zinc/37/96/27/567379627.db2.gz UHTWFYSGDVLWBV-LLVKDONJSA-N 2 2 377.273 3.225 20 0 GGADLP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)c(Br)cc1F ZINC000527854665 567379714 /nfs/dbraw/zinc/37/97/14/567379714.db2.gz UHTWFYSGDVLWBV-NSHDSACASA-N 2 2 377.273 3.225 20 0 GGADLP CC[N@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435623943 567380223 /nfs/dbraw/zinc/38/02/23/567380223.db2.gz ICBNRPSZGVIMSM-HNNXBMFYSA-N 2 2 379.302 3.463 20 0 GGADLP CC[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435623943 567380229 /nfs/dbraw/zinc/38/02/29/567380229.db2.gz ICBNRPSZGVIMSM-HNNXBMFYSA-N 2 2 379.302 3.463 20 0 GGADLP CC[N@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435630816 567381712 /nfs/dbraw/zinc/38/17/12/567381712.db2.gz YRVGWJHAOMKTPG-GFCCVEGCSA-N 2 2 390.272 3.130 20 0 GGADLP CC[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435630816 567381716 /nfs/dbraw/zinc/38/17/16/567381716.db2.gz YRVGWJHAOMKTPG-GFCCVEGCSA-N 2 2 390.272 3.130 20 0 GGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469676 567391841 /nfs/dbraw/zinc/39/18/41/567391841.db2.gz WDAVZAHIQUMOMU-YGRLFVJLSA-N 2 2 378.685 3.374 20 0 GGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469676 567391844 /nfs/dbraw/zinc/39/18/44/567391844.db2.gz WDAVZAHIQUMOMU-YGRLFVJLSA-N 2 2 378.685 3.374 20 0 GGADLP CN(C)C(=O)C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000436235316 567416201 /nfs/dbraw/zinc/41/62/01/567416201.db2.gz XEDKYVVOQCVXHF-UHFFFAOYSA-N 2 2 377.838 3.001 20 0 GGADLP Clc1cccc(SCC[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000662277247 567423756 /nfs/dbraw/zinc/42/37/56/567423756.db2.gz NZGUXGDGEPGGNT-UHFFFAOYSA-N 2 2 377.945 3.006 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000550259904 567437323 /nfs/dbraw/zinc/43/73/23/567437323.db2.gz YLFJGAYWEZRLGC-SNVBAGLBSA-N 2 2 394.298 3.284 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000550259904 567437330 /nfs/dbraw/zinc/43/73/30/567437330.db2.gz YLFJGAYWEZRLGC-SNVBAGLBSA-N 2 2 394.298 3.284 20 0 GGADLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009043 567451728 /nfs/dbraw/zinc/45/17/28/567451728.db2.gz MXIIVIZYSWUIPF-GDBMZVCRSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009043 567451733 /nfs/dbraw/zinc/45/17/33/567451733.db2.gz MXIIVIZYSWUIPF-GDBMZVCRSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009043 567451737 /nfs/dbraw/zinc/45/17/37/567451737.db2.gz MXIIVIZYSWUIPF-GDBMZVCRSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000570009043 567451740 /nfs/dbraw/zinc/45/17/40/567451740.db2.gz MXIIVIZYSWUIPF-GDBMZVCRSA-N 2 2 381.314 3.136 20 0 GGADLP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c2ccsc2S1 ZINC000641785935 567457071 /nfs/dbraw/zinc/45/70/71/567457071.db2.gz GSMUFFNXWKFVGH-JZXOWHBKSA-N 2 2 381.611 3.060 20 0 GGADLP Cc1sc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)nc1-c1ccc(Cl)cc1 ZINC000570093669 567457246 /nfs/dbraw/zinc/45/72/46/567457246.db2.gz YKKWAXZCXZEAHI-GOSISDBHSA-N 2 2 378.929 3.427 20 0 GGADLP O=S(=O)(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1cc(Cl)ccc1Cl ZINC000570211664 567465837 /nfs/dbraw/zinc/46/58/37/567465837.db2.gz ASFPRHKRZSLMBU-AWEZNQCLSA-N 2 2 391.364 3.089 20 0 GGADLP COc1cc(Br)c(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000503076769 567468363 /nfs/dbraw/zinc/46/83/63/567468363.db2.gz QVCRBEKFWLEUMA-UHFFFAOYSA-N 2 2 382.302 3.493 20 0 GGADLP COc1cc(Br)c(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000503076769 567468365 /nfs/dbraw/zinc/46/83/65/567468365.db2.gz QVCRBEKFWLEUMA-UHFFFAOYSA-N 2 2 382.302 3.493 20 0 GGADLP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000478581642 567469098 /nfs/dbraw/zinc/46/90/98/567469098.db2.gz PWFIYMQOKNWANT-CYBMUJFWSA-N 2 2 395.345 3.231 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1 ZINC000662884823 567469285 /nfs/dbraw/zinc/46/92/85/567469285.db2.gz ZCZJXVCBPHREBB-AEFFLSMTSA-N 2 2 377.941 3.155 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)c(F)cc1Cl ZINC000551094895 567478824 /nfs/dbraw/zinc/47/88/24/567478824.db2.gz FSEDEMWSXSOXGG-UHFFFAOYSA-N 2 2 376.303 3.231 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Cl)c(F)cc1Cl ZINC000551094895 567478828 /nfs/dbraw/zinc/47/88/28/567478828.db2.gz FSEDEMWSXSOXGG-UHFFFAOYSA-N 2 2 376.303 3.231 20 0 GGADLP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503352710 567481645 /nfs/dbraw/zinc/48/16/45/567481645.db2.gz DIMGPKXHMVGJFY-ZWKOTPCHSA-N 2 2 394.357 3.187 20 0 GGADLP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503352710 567481652 /nfs/dbraw/zinc/48/16/52/567481652.db2.gz DIMGPKXHMVGJFY-ZWKOTPCHSA-N 2 2 394.357 3.187 20 0 GGADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503352708 567482155 /nfs/dbraw/zinc/48/21/55/567482155.db2.gz DIMGPKXHMVGJFY-QZTJIDSGSA-N 2 2 394.357 3.187 20 0 GGADLP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000503352708 567482159 /nfs/dbraw/zinc/48/21/59/567482159.db2.gz DIMGPKXHMVGJFY-QZTJIDSGSA-N 2 2 394.357 3.187 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000570419438 567483511 /nfs/dbraw/zinc/48/35/11/567483511.db2.gz JWYLYQJCULBVOP-UHFFFAOYSA-N 2 2 380.330 3.160 20 0 GGADLP Cc1[nH+]ccn1CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000457717830 567485123 /nfs/dbraw/zinc/48/51/23/567485123.db2.gz UTYBMLUTOGSSFD-UHFFFAOYSA-N 2 2 381.307 3.279 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000663303284 567493324 /nfs/dbraw/zinc/49/33/24/567493324.db2.gz DJLVDKCEYBGCJG-WFASDCNBSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cccc(Cl)c1Cl ZINC000663303321 567493449 /nfs/dbraw/zinc/49/34/49/567493449.db2.gz FURDHZQXODGVCC-OCCSQVGLSA-N 2 2 386.323 3.163 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000663303282 567494216 /nfs/dbraw/zinc/49/42/16/567494216.db2.gz DJLVDKCEYBGCJG-IUODEOHRSA-N 2 2 386.323 3.163 20 0 GGADLP Cc1cc(Br)cn2cc(CCNC(=O)c3ccc4c[nH+]cn4c3)[nH+]c12 ZINC000551315875 567498397 /nfs/dbraw/zinc/49/83/97/567498397.db2.gz PBSGRKAUJIMZGS-UHFFFAOYSA-N 2 2 398.264 3.025 20 0 GGADLP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(Br)cc1C(F)(F)F ZINC000479058554 567499376 /nfs/dbraw/zinc/49/93/76/567499376.db2.gz KGSIABIQJIKUDA-FZMZJTMJSA-N 2 2 383.252 3.431 20 0 GGADLP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000570683947 567505150 /nfs/dbraw/zinc/50/51/50/567505150.db2.gz OMEGIFCCOQXZMT-VIFPVBQESA-N 2 2 375.420 3.118 20 0 GGADLP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)n1 ZINC000570683947 567505155 /nfs/dbraw/zinc/50/51/55/567505155.db2.gz OMEGIFCCOQXZMT-VIFPVBQESA-N 2 2 375.420 3.118 20 0 GGADLP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC1([NH3+])CCCC1 ZINC000594739252 567506246 /nfs/dbraw/zinc/50/62/46/567506246.db2.gz QSWGHDXFXCONAL-UHFFFAOYSA-N 2 2 399.329 3.061 20 0 GGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663440697 567509164 /nfs/dbraw/zinc/50/91/64/567509164.db2.gz PNIQUJWVILTUSH-ZBFHGGJFSA-N 2 2 384.387 3.212 20 0 GGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCSc2ccc(Br)cc21 ZINC000663440697 567509168 /nfs/dbraw/zinc/50/91/68/567509168.db2.gz PNIQUJWVILTUSH-ZBFHGGJFSA-N 2 2 384.387 3.212 20 0 GGADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806718 567515419 /nfs/dbraw/zinc/51/54/19/567515419.db2.gz OSLXCDRKIXKGRR-KDOFPFPSSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806718 567515422 /nfs/dbraw/zinc/51/54/22/567515422.db2.gz OSLXCDRKIXKGRR-KDOFPFPSSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806718 567515428 /nfs/dbraw/zinc/51/54/28/567515428.db2.gz OSLXCDRKIXKGRR-KDOFPFPSSA-N 2 2 377.330 3.407 20 0 GGADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000570806718 567515429 /nfs/dbraw/zinc/51/54/29/567515429.db2.gz OSLXCDRKIXKGRR-KDOFPFPSSA-N 2 2 377.330 3.407 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H](Nc2nc(C)[nH+]c(C)c2Br)[C@H](C)C1 ZINC000663617882 567519314 /nfs/dbraw/zinc/51/93/14/567519314.db2.gz JDABMILPWSTQLA-DOMZBBRYSA-N 2 2 385.350 3.405 20 0 GGADLP CCOCCC[N@H+]1CC[C@H](Nc2nc(C)[nH+]c(C)c2Br)[C@H](C)C1 ZINC000663617882 567519319 /nfs/dbraw/zinc/51/93/19/567519319.db2.gz JDABMILPWSTQLA-DOMZBBRYSA-N 2 2 385.350 3.405 20 0 GGADLP COc1ccc(C[C@@](C)([NH3+])CNc2nc(C)[nH+]c(C)c2Br)cc1 ZINC000663738381 567525907 /nfs/dbraw/zinc/52/59/07/567525907.db2.gz FUJQNZRNDIRLIK-QGZVFWFLSA-N 2 2 379.302 3.237 20 0 GGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479339755 567526564 /nfs/dbraw/zinc/52/65/64/567526564.db2.gz CENOMYIUKWTPRI-NEPJUHHUSA-N 2 2 394.368 3.023 20 0 GGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479339755 567526567 /nfs/dbraw/zinc/52/65/67/567526567.db2.gz CENOMYIUKWTPRI-NEPJUHHUSA-N 2 2 394.368 3.023 20 0 GGADLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479340202 567526627 /nfs/dbraw/zinc/52/66/27/567526627.db2.gz CENOMYIUKWTPRI-RYUDHWBXSA-N 2 2 394.368 3.023 20 0 GGADLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)C1 ZINC000479340202 567526631 /nfs/dbraw/zinc/52/66/31/567526631.db2.gz CENOMYIUKWTPRI-RYUDHWBXSA-N 2 2 394.368 3.023 20 0 GGADLP COCC[N@H+](C)CCCC1CCN(c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663759346 567528257 /nfs/dbraw/zinc/52/82/57/567528257.db2.gz QNRJPJLAZOWMMP-UHFFFAOYSA-N 2 2 399.377 3.431 20 0 GGADLP COCC[N@@H+](C)CCCC1CCN(c2nc(C)[nH+]c(C)c2Br)CC1 ZINC000663759346 567528263 /nfs/dbraw/zinc/52/82/63/567528263.db2.gz QNRJPJLAZOWMMP-UHFFFAOYSA-N 2 2 399.377 3.431 20 0 GGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@H]2C1 ZINC000529541438 567529400 /nfs/dbraw/zinc/52/94/00/567529400.db2.gz LWBGYXCMKCPBCN-YPMHNXCESA-N 2 2 381.343 3.427 20 0 GGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@H]2C1 ZINC000529541438 567529404 /nfs/dbraw/zinc/52/94/04/567529404.db2.gz LWBGYXCMKCPBCN-YPMHNXCESA-N 2 2 381.343 3.427 20 0 GGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@H]2C1 ZINC000529541438 567529405 /nfs/dbraw/zinc/52/94/05/567529405.db2.gz LWBGYXCMKCPBCN-YPMHNXCESA-N 2 2 381.343 3.427 20 0 GGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(Br)s3)[C@H]2C1 ZINC000529541438 567529408 /nfs/dbraw/zinc/52/94/08/567529408.db2.gz LWBGYXCMKCPBCN-YPMHNXCESA-N 2 2 381.343 3.427 20 0 GGADLP Ic1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000595031926 567537676 /nfs/dbraw/zinc/53/76/76/567537676.db2.gz FDPJDKLEPGJYAN-ZFWWWQNUSA-N 2 2 379.245 3.080 20 0 GGADLP Cc1nc(NCc2ccncc2OCCC[NH+](C)C)c(Br)c(C)[nH+]1 ZINC000663918010 567542087 /nfs/dbraw/zinc/54/20/87/567542087.db2.gz KXMJADHNDUBITC-UHFFFAOYSA-N 2 2 394.317 3.194 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000571162270 567542334 /nfs/dbraw/zinc/54/23/34/567542334.db2.gz OBDLAUTXJCHBLP-KRWDZBQOSA-N 2 2 394.357 3.173 20 0 GGADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(Br)o2)c2cccs2)CC1 ZINC000551956093 567546127 /nfs/dbraw/zinc/54/61/27/567546127.db2.gz XOQUDDAWEMUQEH-AWEZNQCLSA-N 2 2 384.343 3.182 20 0 GGADLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1Br ZINC000644537196 567556194 /nfs/dbraw/zinc/55/61/94/567556194.db2.gz RBGCLBFMBCGWRO-KRWDZBQOSA-N 2 2 393.325 3.040 20 0 GGADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1Br ZINC000644537196 567556198 /nfs/dbraw/zinc/55/61/98/567556198.db2.gz RBGCLBFMBCGWRO-KRWDZBQOSA-N 2 2 393.325 3.040 20 0 GGADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)CC1 ZINC000644535331 567557013 /nfs/dbraw/zinc/55/70/13/567557013.db2.gz OZNNKCJUOLSMII-QGZVFWFLSA-N 2 2 377.941 3.049 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571404161 567558974 /nfs/dbraw/zinc/55/89/74/567558974.db2.gz KQOIDCUGEYTBHF-OLZOCXBDSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000571404161 567558984 /nfs/dbraw/zinc/55/89/84/567558984.db2.gz KQOIDCUGEYTBHF-OLZOCXBDSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571404160 567559165 /nfs/dbraw/zinc/55/91/65/567559165.db2.gz KQOIDCUGEYTBHF-CHWSQXEVSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000571404160 567559170 /nfs/dbraw/zinc/55/91/70/567559170.db2.gz KQOIDCUGEYTBHF-CHWSQXEVSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571445698 567563781 /nfs/dbraw/zinc/56/37/81/567563781.db2.gz NAAZWDPGAYZFNU-UTUOFQBUSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000571445698 567563788 /nfs/dbraw/zinc/56/37/88/567563788.db2.gz NAAZWDPGAYZFNU-UTUOFQBUSA-N 2 2 375.822 3.227 20 0 GGADLP C[C@H](CC[NH+](C)C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000505370875 567572928 /nfs/dbraw/zinc/57/29/28/567572928.db2.gz RVNHUXUBQDCYSB-PBHICJAKSA-N 2 2 382.346 3.042 20 0 GGADLP Cc1c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)nnn1-c1cccc(Br)c1 ZINC000480164529 567584898 /nfs/dbraw/zinc/58/48/98/567584898.db2.gz XQTKBWSXTQTWIW-CQSZACIVSA-N 2 2 392.345 3.475 20 0 GGADLP Brc1ccc(-c2cnc(C[NH+]3CCN(c4[nH]cc[nH+]4)CC3)o2)cc1 ZINC000571891868 567596448 /nfs/dbraw/zinc/59/64/48/567596448.db2.gz HJVWDMBQGLZAHE-UHFFFAOYSA-N 2 2 388.269 3.149 20 0 GGADLP Brc1ccc(C[NH2+]CCCCn2cc[nH+]c2)c(N2CCOCC2)c1 ZINC000530500217 567607496 /nfs/dbraw/zinc/60/74/96/567607496.db2.gz OPZCQASHKGLBCG-UHFFFAOYSA-N 2 2 393.329 3.052 20 0 GGADLP Cc1nccnc1C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000621727683 567607659 /nfs/dbraw/zinc/60/76/59/567607659.db2.gz MMMORRZHMDFDTQ-UHFFFAOYSA-N 2 2 376.258 3.039 20 0 GGADLP Cc1nccnc1C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000621727683 567607662 /nfs/dbraw/zinc/60/76/62/567607662.db2.gz MMMORRZHMDFDTQ-UHFFFAOYSA-N 2 2 376.258 3.039 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000645271245 567616483 /nfs/dbraw/zinc/61/64/83/567616483.db2.gz FSUSTPZAEDEURM-QZTJIDSGSA-N 2 2 381.358 3.301 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000645271245 567616488 /nfs/dbraw/zinc/61/64/88/567616488.db2.gz FSUSTPZAEDEURM-QZTJIDSGSA-N 2 2 381.358 3.301 20 0 GGADLP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000645271245 567616493 /nfs/dbraw/zinc/61/64/93/567616493.db2.gz FSUSTPZAEDEURM-QZTJIDSGSA-N 2 2 381.358 3.301 20 0 GGADLP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1Br)C1CC1 ZINC000645271245 567616498 /nfs/dbraw/zinc/61/64/98/567616498.db2.gz FSUSTPZAEDEURM-QZTJIDSGSA-N 2 2 381.358 3.301 20 0 GGADLP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1Cl ZINC000665292565 567617144 /nfs/dbraw/zinc/61/71/44/567617144.db2.gz CRZMYKNHVJOIBN-ZDUSSCGKSA-N 2 2 385.693 3.298 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Br)c3)C2)CC1 ZINC000459346977 567617308 /nfs/dbraw/zinc/61/73/08/567617308.db2.gz LBHJHUHRKNLPMW-QGZVFWFLSA-N 2 2 386.765 3.314 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cc2c(cc1Br)OCCO2 ZINC000459378720 567620622 /nfs/dbraw/zinc/62/06/22/567620622.db2.gz WNCGPHVDDYBBIC-LBPRGKRZSA-N 2 2 381.314 3.498 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2Br)[C@@H](C)C1 ZINC000459414029 567622063 /nfs/dbraw/zinc/62/20/63/567622063.db2.gz OCYJSKJNLZUNTP-GOEBONIOSA-N 2 2 385.346 3.381 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(O)c2Br)[C@@H](C)C1 ZINC000459414029 567622066 /nfs/dbraw/zinc/62/20/66/567622066.db2.gz OCYJSKJNLZUNTP-GOEBONIOSA-N 2 2 385.346 3.381 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2=O)ccc1Br ZINC000459472823 567627826 /nfs/dbraw/zinc/62/78/26/567627826.db2.gz CNBFKJKSJIRPAE-SFHVURJKSA-N 2 2 392.341 3.079 20 0 GGADLP CCCOc1ccc(Br)cc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000572364078 567633620 /nfs/dbraw/zinc/63/36/20/567633620.db2.gz RUIZAWQBAQWUPE-MRXNPFEDSA-N 2 2 397.357 3.425 20 0 GGADLP CCCOc1ccc(Br)cc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000572364078 567633625 /nfs/dbraw/zinc/63/36/25/567633625.db2.gz RUIZAWQBAQWUPE-MRXNPFEDSA-N 2 2 397.357 3.425 20 0 GGADLP O=S(=O)(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000572405399 567637081 /nfs/dbraw/zinc/63/70/81/567637081.db2.gz DMFXUIPDNUEVHJ-KGLIPLIRSA-N 2 2 391.364 3.089 20 0 GGADLP O=S(=O)(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cc(Cl)ccc1Cl ZINC000572405399 567637086 /nfs/dbraw/zinc/63/70/86/567637086.db2.gz DMFXUIPDNUEVHJ-KGLIPLIRSA-N 2 2 391.364 3.089 20 0 GGADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1Br ZINC000531044050 567639287 /nfs/dbraw/zinc/63/92/87/567639287.db2.gz KUFOGKBKOOLHTM-FQEVSTJZSA-N 2 2 389.337 3.484 20 0 GGADLP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1Br ZINC000531044050 567639292 /nfs/dbraw/zinc/63/92/92/567639292.db2.gz KUFOGKBKOOLHTM-FQEVSTJZSA-N 2 2 389.337 3.484 20 0 GGADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(O)c1Br ZINC000459574293 567639706 /nfs/dbraw/zinc/63/97/06/567639706.db2.gz XRVZSNBKDLRWFG-UHFFFAOYSA-N 2 2 394.313 3.170 20 0 GGADLP CC[NH2+][C@H](C)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000572493216 567643412 /nfs/dbraw/zinc/64/34/12/567643412.db2.gz VQHSNSISVJYFRJ-SECBINFHSA-N 2 2 380.124 3.308 20 0 GGADLP C[NH+](C)Cc1cnc(C[N@@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459650504 567646243 /nfs/dbraw/zinc/64/62/43/567646243.db2.gz NIJRBBHRIFXNPA-AWEZNQCLSA-N 2 2 377.476 3.386 20 0 GGADLP C[NH+](C)Cc1cnc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)s1 ZINC000459650504 567646247 /nfs/dbraw/zinc/64/62/47/567646247.db2.gz NIJRBBHRIFXNPA-AWEZNQCLSA-N 2 2 377.476 3.386 20 0 GGADLP OC[C@@H](C[NH2+]Cc1cccc2[nH+]ccn21)Cc1cc(F)cc(Br)c1 ZINC000459695064 567652042 /nfs/dbraw/zinc/65/20/42/567652042.db2.gz JDLYIFPZGWVMLN-CQSZACIVSA-N 2 2 392.272 3.177 20 0 GGADLP COc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C2(C)C)cc1Br ZINC000572822462 567668870 /nfs/dbraw/zinc/66/88/70/567668870.db2.gz CZMOJMBXXJDOTE-GFCCVEGCSA-N 2 2 392.135 3.450 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(C)c(Br)s2)nc[nH+]1 ZINC000531701947 567674150 /nfs/dbraw/zinc/67/41/50/567674150.db2.gz UUXZCMZAXFQDNC-LBPRGKRZSA-N 2 2 396.358 3.409 20 0 GGADLP COC(=O)CC[N@H+](Cc1c[nH+]c(C)n1C)Cc1cccc(Br)c1 ZINC000597113780 567684200 /nfs/dbraw/zinc/68/42/00/567684200.db2.gz RGCRFLSFVXWJRA-UHFFFAOYSA-N 2 2 380.286 3.056 20 0 GGADLP COC(=O)CC[N@@H+](Cc1c[nH+]c(C)n1C)Cc1cccc(Br)c1 ZINC000597113780 567684201 /nfs/dbraw/zinc/68/42/01/567684201.db2.gz RGCRFLSFVXWJRA-UHFFFAOYSA-N 2 2 380.286 3.056 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](CO)c2cccc(Cl)c2Cl)CC1 ZINC000597228414 567689074 /nfs/dbraw/zinc/68/90/74/567689074.db2.gz MUBWLUKPLFYKGT-INIZCTEOSA-N 2 2 389.323 3.034 20 0 GGADLP COc1c(Br)cc(C[NH2+][C@H](C[NH3+])C2CC2)cc1Br ZINC000666746496 567701947 /nfs/dbraw/zinc/70/19/47/567701947.db2.gz MQHSZWIOZVMTNH-GFCCVEGCSA-N 2 2 378.108 3.047 20 0 GGADLP Cc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)ncc1Br ZINC000623362414 567704617 /nfs/dbraw/zinc/70/46/17/567704617.db2.gz RTGDDTNHCFVUCV-UHFFFAOYSA-N 2 2 390.325 3.275 20 0 GGADLP Cc1cc(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)ncc1Br ZINC000623362783 567705224 /nfs/dbraw/zinc/70/52/24/567705224.db2.gz JVBWBZKMUHDRIU-UHFFFAOYSA-N 2 2 375.314 3.302 20 0 GGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ncc1Br ZINC000623453277 567711398 /nfs/dbraw/zinc/71/13/98/567711398.db2.gz HETZNENXSPGISN-ZWKOTPCHSA-N 2 2 382.346 3.010 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000573430985 567712706 /nfs/dbraw/zinc/71/27/06/567712706.db2.gz SNCXOFCTVMYIOR-CQSZACIVSA-N 2 2 383.330 3.399 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2Br)C1 ZINC000573430985 567712709 /nfs/dbraw/zinc/71/27/09/567712709.db2.gz SNCXOFCTVMYIOR-CQSZACIVSA-N 2 2 383.330 3.399 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000532446653 567717151 /nfs/dbraw/zinc/71/71/51/567717151.db2.gz GHHMPGBGRKLURU-HNNXBMFYSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000532447106 567717239 /nfs/dbraw/zinc/71/72/39/567717239.db2.gz YXNQOPSUWHXCDO-CABCVRRESA-N 2 2 382.346 3.488 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000532447106 567717244 /nfs/dbraw/zinc/71/72/44/567717244.db2.gz YXNQOPSUWHXCDO-CABCVRRESA-N 2 2 382.346 3.488 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000532459475 567717365 /nfs/dbraw/zinc/71/73/65/567717365.db2.gz TUUVVSWFPPJYEZ-LSDHHAIUSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000532459475 567717373 /nfs/dbraw/zinc/71/73/73/567717373.db2.gz TUUVVSWFPPJYEZ-LSDHHAIUSA-N 2 2 382.346 3.488 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000532542140 567721509 /nfs/dbraw/zinc/72/15/09/567721509.db2.gz NOBIYQLXNUDPEP-OGHNNQOOSA-N 2 2 380.330 3.239 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000532542140 567721516 /nfs/dbraw/zinc/72/15/16/567721516.db2.gz NOBIYQLXNUDPEP-OGHNNQOOSA-N 2 2 380.330 3.239 20 0 GGADLP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000532538179 567721924 /nfs/dbraw/zinc/72/19/24/567721924.db2.gz JXZADGYFAYVIDL-KRWDZBQOSA-N 2 2 382.346 3.028 20 0 GGADLP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000532538179 567721928 /nfs/dbraw/zinc/72/19/28/567721928.db2.gz JXZADGYFAYVIDL-KRWDZBQOSA-N 2 2 382.346 3.028 20 0 GGADLP Fc1c(Br)ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1F ZINC000623572540 567723620 /nfs/dbraw/zinc/72/36/20/567723620.db2.gz DKKIDQBOHFFBTH-ZDUSSCGKSA-N 2 2 375.257 3.070 20 0 GGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000623656734 567729678 /nfs/dbraw/zinc/72/96/78/567729678.db2.gz AOCUCPHALDOHPI-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000623656734 567729683 /nfs/dbraw/zinc/72/96/83/567729683.db2.gz AOCUCPHALDOHPI-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP Ic1cccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000554584691 567737493 /nfs/dbraw/zinc/73/74/93/567737493.db2.gz KZGQBTCFMSWADJ-MRXNPFEDSA-N 2 2 380.229 3.340 20 0 GGADLP Ic1cccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000554584691 567737497 /nfs/dbraw/zinc/73/74/97/567737497.db2.gz KZGQBTCFMSWADJ-MRXNPFEDSA-N 2 2 380.229 3.340 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1cccs1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000532902176 567742963 /nfs/dbraw/zinc/74/29/63/567742963.db2.gz YKRJHCPELGFZFP-KRWDZBQOSA-N 2 2 375.563 3.291 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1cccs1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000532902176 567742971 /nfs/dbraw/zinc/74/29/71/567742971.db2.gz YKRJHCPELGFZFP-KRWDZBQOSA-N 2 2 375.563 3.291 20 0 GGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3Br)CC2)CC1 ZINC000533078482 567750114 /nfs/dbraw/zinc/75/01/14/567750114.db2.gz JMGCLMNWWXZSQT-UHFFFAOYSA-N 2 2 380.374 3.440 20 0 GGADLP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000508516696 567751871 /nfs/dbraw/zinc/75/18/71/567751871.db2.gz RGJFKORACLHLQV-HNNXBMFYSA-N 2 2 377.330 3.408 20 0 GGADLP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000508516696 567751878 /nfs/dbraw/zinc/75/18/78/567751878.db2.gz RGJFKORACLHLQV-HNNXBMFYSA-N 2 2 377.330 3.408 20 0 GGADLP C[NH+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000508516696 567751887 /nfs/dbraw/zinc/75/18/87/567751887.db2.gz RGJFKORACLHLQV-HNNXBMFYSA-N 2 2 377.330 3.408 20 0 GGADLP C[NH+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000508516696 567751894 /nfs/dbraw/zinc/75/18/94/567751894.db2.gz RGJFKORACLHLQV-HNNXBMFYSA-N 2 2 377.330 3.408 20 0 GGADLP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000624085470 567758651 /nfs/dbraw/zinc/75/86/51/567758651.db2.gz XEYHZVZCDXJLLB-ROUUACIJSA-N 2 2 396.373 3.090 20 0 GGADLP CC[C@@H](CCc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000624085470 567758655 /nfs/dbraw/zinc/75/86/55/567758655.db2.gz XEYHZVZCDXJLLB-ROUUACIJSA-N 2 2 396.373 3.090 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000624085437 567759358 /nfs/dbraw/zinc/75/93/58/567759358.db2.gz UOSYWNNEQPKUPZ-IOASZLSFSA-N 2 2 388.339 3.079 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000624085437 567759359 /nfs/dbraw/zinc/75/93/59/567759359.db2.gz UOSYWNNEQPKUPZ-IOASZLSFSA-N 2 2 388.339 3.079 20 0 GGADLP CC(C)(O)C[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000443512950 567763605 /nfs/dbraw/zinc/76/36/05/567763605.db2.gz UUESDVJNTWQRNY-UHFFFAOYSA-N 2 2 382.277 3.029 20 0 GGADLP C[C@@H](Nc1cc[nH+]c2c(Br)ccc(F)c12)[C@@H](C)[NH+]1CCOCC1 ZINC000443514125 567763693 /nfs/dbraw/zinc/76/36/93/567763693.db2.gz FGBPCNPYIZIPHU-VXGBXAGGSA-N 2 2 382.277 3.079 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CC[C@@H](C[NH+]4CCOCC4)C3)c12 ZINC000443506975 567763925 /nfs/dbraw/zinc/76/39/25/567763925.db2.gz FAFJIZBTVQQLGI-ZDUSSCGKSA-N 2 2 394.288 3.295 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c12 ZINC000443520908 567765568 /nfs/dbraw/zinc/76/55/68/567765568.db2.gz HGROIPQMZYLAFO-CYBMUJFWSA-N 2 2 394.288 3.295 20 0 GGADLP CN(C)c1cc(Br)cc(C(=O)Nc2c[nH+]ccc2-n2cc[nH+]c2)c1 ZINC000574284554 567769590 /nfs/dbraw/zinc/76/95/90/567769590.db2.gz DCRQJNVBRMHRBG-UHFFFAOYSA-N 2 2 386.253 3.348 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000574322719 567772249 /nfs/dbraw/zinc/77/22/49/567772249.db2.gz NWFPYEBBAWXFCJ-ROUUACIJSA-N 2 2 385.321 3.474 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000574322719 567772253 /nfs/dbraw/zinc/77/22/53/567772253.db2.gz NWFPYEBBAWXFCJ-ROUUACIJSA-N 2 2 385.321 3.474 20 0 GGADLP C[N@H+](C[C@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000574322715 567772345 /nfs/dbraw/zinc/77/23/45/567772345.db2.gz NWFPYEBBAWXFCJ-MSOLQXFVSA-N 2 2 385.321 3.474 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000574322715 567772347 /nfs/dbraw/zinc/77/23/47/567772347.db2.gz NWFPYEBBAWXFCJ-MSOLQXFVSA-N 2 2 385.321 3.474 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2Br)CC1 ZINC000533558991 567775792 /nfs/dbraw/zinc/77/57/92/567775792.db2.gz XZEYQLUDTQPEGE-AWEZNQCLSA-N 2 2 382.346 3.042 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2Br)CC1 ZINC000533558991 567775797 /nfs/dbraw/zinc/77/57/97/567775797.db2.gz XZEYQLUDTQPEGE-AWEZNQCLSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H](CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000533568901 567776828 /nfs/dbraw/zinc/77/68/28/567776828.db2.gz AERDGKKQCCVUET-CRAIPNDOSA-N 2 2 394.357 3.187 20 0 GGADLP O=C(C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Nc1cccc(Br)c1 ZINC000574629915 567789162 /nfs/dbraw/zinc/78/91/62/567789162.db2.gz CBORPZDNNLGUNY-FUHWJXTLSA-N 2 2 388.309 3.471 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542934 567790463 /nfs/dbraw/zinc/79/04/63/567790463.db2.gz DXHGOPRMOJKPNR-HOTGVXAUSA-N 2 2 384.973 3.345 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542934 567790464 /nfs/dbraw/zinc/79/04/64/567790464.db2.gz DXHGOPRMOJKPNR-HOTGVXAUSA-N 2 2 384.973 3.345 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(Br)c1OC ZINC000555596815 567791540 /nfs/dbraw/zinc/79/15/40/567791540.db2.gz FHDQLJWRGCSTQY-SFHVURJKSA-N 2 2 383.330 3.384 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(Br)c1OC ZINC000555596815 567791543 /nfs/dbraw/zinc/79/15/43/567791543.db2.gz FHDQLJWRGCSTQY-SFHVURJKSA-N 2 2 383.330 3.384 20 0 GGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(Br)c1OC ZINC000555596815 567791544 /nfs/dbraw/zinc/79/15/44/567791544.db2.gz FHDQLJWRGCSTQY-SFHVURJKSA-N 2 2 383.330 3.384 20 0 GGADLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Br)c1OC ZINC000555596815 567791548 /nfs/dbraw/zinc/79/15/48/567791548.db2.gz FHDQLJWRGCSTQY-SFHVURJKSA-N 2 2 383.330 3.384 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000555598227 567791709 /nfs/dbraw/zinc/79/17/09/567791709.db2.gz VKIJXBHLYFSNDZ-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000555598227 567791713 /nfs/dbraw/zinc/79/17/13/567791713.db2.gz VKIJXBHLYFSNDZ-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000555598227 567791716 /nfs/dbraw/zinc/79/17/16/567791716.db2.gz VKIJXBHLYFSNDZ-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000555598227 567791719 /nfs/dbraw/zinc/79/17/19/567791719.db2.gz VKIJXBHLYFSNDZ-LJQANCHMSA-N 2 2 384.351 3.370 20 0 GGADLP Nc1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000444178375 567795435 /nfs/dbraw/zinc/79/54/35/567795435.db2.gz AEEPVQKMQXVWNU-UHFFFAOYSA-N 2 2 379.291 3.195 20 0 GGADLP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000574760464 567795680 /nfs/dbraw/zinc/79/56/80/567795680.db2.gz UJVHYXAKWYJCPB-MRXNPFEDSA-N 2 2 379.957 3.270 20 0 GGADLP COc1ccc([C@H](C[NH3+])CN2CC[NH+](Cc3ccc(Cl)s3)CC2)cc1 ZINC000574760464 567795683 /nfs/dbraw/zinc/79/56/83/567795683.db2.gz UJVHYXAKWYJCPB-MRXNPFEDSA-N 2 2 379.957 3.270 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000574813143 567798313 /nfs/dbraw/zinc/79/83/13/567798313.db2.gz RHVGZEUQEZFFFC-GOEBONIOSA-N 2 2 394.357 3.406 20 0 GGADLP Cc1[nH+]cc(C[N@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)n1C ZINC000668175891 567798965 /nfs/dbraw/zinc/79/89/65/567798965.db2.gz BOWLUIVDUVCGIZ-MRXNPFEDSA-N 2 2 375.822 3.350 20 0 GGADLP Cc1[nH+]cc(C[N@@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)n1C ZINC000668175891 567798968 /nfs/dbraw/zinc/79/89/68/567798968.db2.gz BOWLUIVDUVCGIZ-MRXNPFEDSA-N 2 2 375.822 3.350 20 0 GGADLP [NH3+]CCC1CC[NH+](Cc2c(F)ccc(I)c2F)CC1 ZINC000574815248 567799270 /nfs/dbraw/zinc/79/92/70/567799270.db2.gz QOWAHULDWAKMMO-UHFFFAOYSA-N 2 2 380.220 3.130 20 0 GGADLP C[C@H]1CSCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139955 567800911 /nfs/dbraw/zinc/80/09/11/567800911.db2.gz SMSATMOZFNKXPO-MAUKXSAKSA-N 2 2 381.973 3.030 20 0 GGADLP C[C@H]1CSCC[N@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139955 567800914 /nfs/dbraw/zinc/80/09/14/567800914.db2.gz SMSATMOZFNKXPO-MAUKXSAKSA-N 2 2 381.973 3.030 20 0 GGADLP C[C@@H]1CSCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139956 567801339 /nfs/dbraw/zinc/80/13/39/567801339.db2.gz SMSATMOZFNKXPO-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP C[C@@H]1CSCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000534139956 567801343 /nfs/dbraw/zinc/80/13/43/567801343.db2.gz SMSATMOZFNKXPO-QAPCUYQASA-N 2 2 381.973 3.030 20 0 GGADLP C[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H]1C[NH3+] ZINC000647847053 567802734 /nfs/dbraw/zinc/80/27/34/567802734.db2.gz XDBMJCGUPQRNBM-DYVFJYSZSA-N 2 2 375.314 3.465 20 0 GGADLP C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)[C@H]1C[NH3+] ZINC000647847053 567802736 /nfs/dbraw/zinc/80/27/36/567802736.db2.gz XDBMJCGUPQRNBM-DYVFJYSZSA-N 2 2 375.314 3.465 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3cncc(Br)c3C)CC2)CC1 ZINC000668245072 567802955 /nfs/dbraw/zinc/80/29/55/567802955.db2.gz RTXSCCIHYIKEEQ-UHFFFAOYSA-N 2 2 395.389 3.145 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3cncc(Br)c3C)CC2)CC1 ZINC000668245072 567802961 /nfs/dbraw/zinc/80/29/61/567802961.db2.gz RTXSCCIHYIKEEQ-UHFFFAOYSA-N 2 2 395.389 3.145 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@H+](Cc3cncc(Br)c3C)CC2)CC1 ZINC000668245072 567802967 /nfs/dbraw/zinc/80/29/67/567802967.db2.gz RTXSCCIHYIKEEQ-UHFFFAOYSA-N 2 2 395.389 3.145 20 0 GGADLP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cncc(Br)c3C)CC2)CC1 ZINC000668245072 567802971 /nfs/dbraw/zinc/80/29/71/567802971.db2.gz RTXSCCIHYIKEEQ-UHFFFAOYSA-N 2 2 395.389 3.145 20 0 GGADLP Brc1ccc(Cc2noc([C@@H]3CCC[N@@H+]3C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000647884960 567805320 /nfs/dbraw/zinc/80/53/20/567805320.db2.gz QPOJSACQAGVRSS-HOCLYGCPSA-N 2 2 391.313 3.169 20 0 GGADLP Brc1ccc(Cc2noc([C@@H]3CCC[N@H+]3C[C@H]3CC[NH2+]C3)n2)cc1 ZINC000647884960 567805321 /nfs/dbraw/zinc/80/53/21/567805321.db2.gz QPOJSACQAGVRSS-HOCLYGCPSA-N 2 2 391.313 3.169 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000647907781 567806823 /nfs/dbraw/zinc/80/68/23/567806823.db2.gz UFKFITGQSWRIHC-HBNTYKKESA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000647907781 567806825 /nfs/dbraw/zinc/80/68/25/567806825.db2.gz UFKFITGQSWRIHC-HBNTYKKESA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000647907780 567806947 /nfs/dbraw/zinc/80/69/47/567806947.db2.gz UFKFITGQSWRIHC-GMTAPVOTSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4ccc(Br)s4)no3)C[C@H]21 ZINC000647907780 567806951 /nfs/dbraw/zinc/80/69/51/567806951.db2.gz UFKFITGQSWRIHC-GMTAPVOTSA-N 2 2 383.315 3.120 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647971888 567808307 /nfs/dbraw/zinc/80/83/07/567808307.db2.gz YJQILFOBOYXPTL-RVKKMQEKSA-N 2 2 382.335 3.198 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647971888 567808311 /nfs/dbraw/zinc/80/83/11/567808311.db2.gz YJQILFOBOYXPTL-RVKKMQEKSA-N 2 2 382.335 3.198 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3C)CC2)c1 ZINC000022516275 570319372 /nfs/dbraw/zinc/31/93/72/570319372.db2.gz WOEHWZADNQQVGE-GOSISDBHSA-N 2 2 383.561 3.320 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3C)CC2)c1 ZINC000022516275 570319375 /nfs/dbraw/zinc/31/93/75/570319375.db2.gz WOEHWZADNQQVGE-GOSISDBHSA-N 2 2 383.561 3.320 20 0 GGADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c2cccs2)CC1 ZINC000022790075 570327861 /nfs/dbraw/zinc/32/78/61/570327861.db2.gz YZCSYDNHYJCWEF-FQEVSTJZSA-N 3 2 381.549 3.012 20 0 GGADLP C[N@H+](CCNC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)Cc1ccccc1 ZINC000033071010 570400993 /nfs/dbraw/zinc/40/09/93/570400993.db2.gz PIQKQCPXPIADDW-UHFFFAOYSA-N 2 2 391.519 3.028 20 0 GGADLP C[N@@H+](CCNC(=O)C1CCN(c2[nH]c3ccccc3[nH+]2)CC1)Cc1ccccc1 ZINC000033071010 570400999 /nfs/dbraw/zinc/40/09/99/570400999.db2.gz PIQKQCPXPIADDW-UHFFFAOYSA-N 2 2 391.519 3.028 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000221892435 570402902 /nfs/dbraw/zinc/40/29/02/570402902.db2.gz USTUINYZBNOTHL-WMZOPIPTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C)cc2Cl)[C@@H](C)C1 ZINC000221892435 570402904 /nfs/dbraw/zinc/40/29/04/570402904.db2.gz USTUINYZBNOTHL-WMZOPIPTSA-N 2 2 381.948 3.314 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000029810518 570480430 /nfs/dbraw/zinc/48/04/30/570480430.db2.gz YQKBFBIOORQHDA-JOCHJYFZSA-N 2 2 379.504 3.077 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000029810518 570480432 /nfs/dbraw/zinc/48/04/32/570480432.db2.gz YQKBFBIOORQHDA-JOCHJYFZSA-N 2 2 379.504 3.077 20 0 GGADLP CCn1cc[nH+]c1CN(C(=O)c1ccc2c(c1)CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000261618586 570540439 /nfs/dbraw/zinc/54/04/39/570540439.db2.gz BNJCMEHTNAGUTB-HXUWFJFHSA-N 2 2 378.520 3.176 20 0 GGADLP COc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000048716781 570617364 /nfs/dbraw/zinc/61/73/64/570617364.db2.gz NNERDZWBDJOPBR-UHFFFAOYSA-N 2 2 377.492 3.235 20 0 GGADLP CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000225798116 570618011 /nfs/dbraw/zinc/61/80/11/570618011.db2.gz NCNNRGPRGJDVBS-QHCPKHFHSA-N 2 2 395.547 3.046 20 0 GGADLP CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000225798116 570618013 /nfs/dbraw/zinc/61/80/13/570618013.db2.gz NCNNRGPRGJDVBS-QHCPKHFHSA-N 2 2 395.547 3.046 20 0 GGADLP Cc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776799 570799127 /nfs/dbraw/zinc/79/91/27/570799127.db2.gz OBVVFDKDGDVHNZ-OAQYLSRUSA-N 2 2 378.520 3.266 20 0 GGADLP Cc1ccc([C@H]2CCC[N@H+]2CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000032776799 570799129 /nfs/dbraw/zinc/79/91/29/570799129.db2.gz OBVVFDKDGDVHNZ-OAQYLSRUSA-N 2 2 378.520 3.266 20 0 GGADLP CCOC(=O)c1c(NC(=O)C[NH+]2CCCC2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000003325980 570857166 /nfs/dbraw/zinc/85/71/66/570857166.db2.gz XANHSJMEABQSSI-UHFFFAOYSA-N 2 2 393.553 3.119 20 0 GGADLP COc1cc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc(OC)c1 ZINC000045806958 570996892 /nfs/dbraw/zinc/99/68/92/570996892.db2.gz ASRNYMFSXLAJDF-UHFFFAOYSA-N 2 2 389.540 3.230 20 0 GGADLP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821583497 607317727 /nfs/dbraw/zinc/31/77/27/607317727.db2.gz XSWRXZPBCOYPKO-UHFFFAOYSA-N 2 2 397.552 3.318 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)C1 ZINC000820649384 599405110 /nfs/dbraw/zinc/40/51/10/599405110.db2.gz LHWFGRVORXPKMU-HOTGVXAUSA-N 2 2 380.496 3.227 20 0 GGADLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1-c1nn[nH]n1 ZINC000821804034 599442581 /nfs/dbraw/zinc/44/25/81/599442581.db2.gz INAWGNAJTICFIU-INIZCTEOSA-N 2 2 392.507 3.191 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@@H+]1Cc1ccccc1 ZINC000736227690 599588655 /nfs/dbraw/zinc/58/86/55/599588655.db2.gz MFWCFKFRFSBQQA-OXJNMPFZSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)Cc2ccc(F)cc2-c2nn[nH]n2)CC[N@H+]1Cc1ccccc1 ZINC000736227690 599588656 /nfs/dbraw/zinc/58/86/56/599588656.db2.gz MFWCFKFRFSBQQA-OXJNMPFZSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)CC[NH+]1Cc1ccccc1 ZINC000736227690 599588658 /nfs/dbraw/zinc/58/86/58/599588658.db2.gz MFWCFKFRFSBQQA-OXJNMPFZSA-N 2 2 394.498 3.491 20 0 GGADLP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(F)cc2-c2nn[nH]n2)CC[NH+]1Cc1ccccc1 ZINC000736227690 599588660 /nfs/dbraw/zinc/58/86/60/599588660.db2.gz MFWCFKFRFSBQQA-OXJNMPFZSA-N 2 2 394.498 3.491 20 0 GGADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)c2c1 ZINC000822195569 599689298 /nfs/dbraw/zinc/68/92/98/599689298.db2.gz WSXRZQNXYCBSLU-SJORKVTESA-N 2 2 391.523 3.483 20 0 GGADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)c2c1 ZINC000822195569 599689299 /nfs/dbraw/zinc/68/92/99/599689299.db2.gz WSXRZQNXYCBSLU-SJORKVTESA-N 2 2 391.523 3.483 20 0 GGADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000822332005 607471656 /nfs/dbraw/zinc/47/16/56/607471656.db2.gz KPVBZGMRIIYZAQ-HNAYVOBHSA-N 2 2 389.507 3.176 20 0 GGADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000822332005 607471658 /nfs/dbraw/zinc/47/16/58/607471658.db2.gz KPVBZGMRIIYZAQ-HNAYVOBHSA-N 2 2 389.507 3.176 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1cccs1 ZINC000821623804 607483521 /nfs/dbraw/zinc/48/35/21/607483521.db2.gz SVYJIFVIJJUBAB-MAUKXSAKSA-N 2 2 386.500 3.240 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)[C@@H]1c1cccs1 ZINC000821623804 607483523 /nfs/dbraw/zinc/48/35/23/607483523.db2.gz SVYJIFVIJJUBAB-MAUKXSAKSA-N 2 2 386.500 3.240 20 0 GGADLP CCc1oc(C(=O)[O-])cc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000830355312 601156700 /nfs/dbraw/zinc/15/67/00/601156700.db2.gz HZDIAXFGOOJTPE-UHFFFAOYSA-N 2 2 391.556 3.168 20 0 GGADLP CCc1oc(C(=O)[O-])cc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000830355312 601156704 /nfs/dbraw/zinc/15/67/04/601156704.db2.gz HZDIAXFGOOJTPE-UHFFFAOYSA-N 2 2 391.556 3.168 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000833629457 605224795 /nfs/dbraw/zinc/22/47/95/605224795.db2.gz IXPZDPHPGCNKNA-MOJGAOKDSA-N 2 2 387.568 3.062 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000833629457 605224801 /nfs/dbraw/zinc/22/48/01/605224801.db2.gz IXPZDPHPGCNKNA-MOJGAOKDSA-N 2 2 387.568 3.062 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820758768 606741724 /nfs/dbraw/zinc/74/17/24/606741724.db2.gz CRLRVLQRBKUTOP-HUUCEWRRSA-N 2 2 382.537 3.174 20 0 GGADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824554066 609139536 /nfs/dbraw/zinc/13/95/36/609139536.db2.gz MHAKANKMCQDXIK-OCCSQVGLSA-N 2 2 383.475 3.165 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)cc1 ZINC000826331170 609423910 /nfs/dbraw/zinc/42/39/10/609423910.db2.gz XTJBIDRCMIOSSF-CYBMUJFWSA-N 2 2 377.427 3.351 20 0 GGADLP C[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc2ccccc21 ZINC000053017428 1406260045 /nfs/dbraw/zinc/26/00/45/1406260045.db2.gz RZGBCOSGYPJPOQ-UHFFFAOYSA-N 2 2 388.515 3.406 20 0 GGADLP C[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1cccc2ccccc21 ZINC000053017428 1406260057 /nfs/dbraw/zinc/26/00/57/1406260057.db2.gz RZGBCOSGYPJPOQ-UHFFFAOYSA-N 2 2 388.515 3.406 20 0 GGADLP Cc1ncc(C[N@@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000053153933 1406310738 /nfs/dbraw/zinc/31/07/38/1406310738.db2.gz WCUBAEFNWYAKOZ-INIZCTEOSA-N 2 2 386.565 3.053 20 0 GGADLP Cc1ncc(C[N@H+](C)[C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000053153933 1406310752 /nfs/dbraw/zinc/31/07/52/1406310752.db2.gz WCUBAEFNWYAKOZ-INIZCTEOSA-N 2 2 386.565 3.053 20 0 GGADLP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053233843 1406337246 /nfs/dbraw/zinc/33/72/46/1406337246.db2.gz ZZQIUHKAPUQOBI-KRWDZBQOSA-N 2 2 386.927 3.467 20 0 GGADLP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053233843 1406337257 /nfs/dbraw/zinc/33/72/57/1406337257.db2.gz ZZQIUHKAPUQOBI-KRWDZBQOSA-N 2 2 386.927 3.467 20 0 GGADLP Cc1ccccc1[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053279651 1406353051 /nfs/dbraw/zinc/35/30/51/1406353051.db2.gz UWGRGCMIDCLPPR-OAQYLSRUSA-N 2 2 378.520 3.266 20 0 GGADLP Cc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053279651 1406353063 /nfs/dbraw/zinc/35/30/63/1406353063.db2.gz UWGRGCMIDCLPPR-OAQYLSRUSA-N 2 2 378.520 3.266 20 0 GGADLP O=C(NCCC[NH+]1CCCC1)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000053560430 1406443530 /nfs/dbraw/zinc/44/35/30/1406443530.db2.gz ZBTOHKISKSZKCZ-UHFFFAOYSA-N 2 2 398.473 3.019 20 0 GGADLP Cn1c(-c2ccccc2)cn(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1=S ZINC000054518735 1406761342 /nfs/dbraw/zinc/76/13/42/1406761342.db2.gz BBDZVEXCDHVOBG-UHFFFAOYSA-N 2 2 386.565 3.225 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000055087982 1406883019 /nfs/dbraw/zinc/88/30/19/1406883019.db2.gz YGZKHACIXJGUSF-LJQANCHMSA-N 2 2 379.464 3.102 20 0 GGADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)Cc3cccc(F)c3)cc2)CC1 ZINC000007215973 1398631853 /nfs/dbraw/zinc/63/18/53/1398631853.db2.gz XPEKTKJFJGZEIZ-UHFFFAOYSA-N 2 2 384.499 3.038 20 0 GGADLP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+](C)Cc3cccc(F)c3)cc2)CC1 ZINC000007215973 1398631857 /nfs/dbraw/zinc/63/18/57/1398631857.db2.gz XPEKTKJFJGZEIZ-UHFFFAOYSA-N 2 2 384.499 3.038 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000007443095 1398678945 /nfs/dbraw/zinc/67/89/45/1398678945.db2.gz CPDJMMWHIHAHAD-LJQANCHMSA-N 2 2 385.533 3.356 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000007443095 1398678955 /nfs/dbraw/zinc/67/89/55/1398678955.db2.gz CPDJMMWHIHAHAD-LJQANCHMSA-N 2 2 385.533 3.356 20 0 GGADLP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000015404723 1399161520 /nfs/dbraw/zinc/16/15/20/1399161520.db2.gz XTDTWILYXALQOQ-HSZRJFAPSA-N 2 2 393.531 3.467 20 0 GGADLP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCc2ccccc21 ZINC000015404723 1399161523 /nfs/dbraw/zinc/16/15/23/1399161523.db2.gz XTDTWILYXALQOQ-HSZRJFAPSA-N 2 2 393.531 3.467 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1F ZINC000026211764 1399869514 /nfs/dbraw/zinc/86/95/14/1399869514.db2.gz PONLGQBSGYORAP-GOSISDBHSA-N 2 2 383.511 3.427 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1F ZINC000026211764 1399869515 /nfs/dbraw/zinc/86/95/15/1399869515.db2.gz PONLGQBSGYORAP-GOSISDBHSA-N 2 2 383.511 3.427 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1Cl ZINC000026855373 1399942295 /nfs/dbraw/zinc/94/22/95/1399942295.db2.gz BTNQKBGDWYJENR-MRXNPFEDSA-N 2 2 387.911 3.462 20 0 GGADLP Cc1cc(N2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)nc(C(C)C)[nH+]1 ZINC000029632295 1400326087 /nfs/dbraw/zinc/32/60/87/1400326087.db2.gz FETAQTAZGTXAMC-UHFFFAOYSA-N 2 2 376.508 3.416 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@H]3CCc4ccccc43)CC2)c1 ZINC000029811024 1400356702 /nfs/dbraw/zinc/35/67/02/1400356702.db2.gz MUHSUFANBXIRSN-QHCPKHFHSA-N 2 2 377.532 3.259 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@H]3CCc4ccccc43)CC2)c1 ZINC000029811024 1400356708 /nfs/dbraw/zinc/35/67/08/1400356708.db2.gz MUHSUFANBXIRSN-QHCPKHFHSA-N 2 2 377.532 3.259 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@@H+](C)[C@@H]3CCc4ccccc43)CC2)c1 ZINC000029811021 1400357167 /nfs/dbraw/zinc/35/71/67/1400357167.db2.gz MUHSUFANBXIRSN-HSZRJFAPSA-N 2 2 377.532 3.259 20 0 GGADLP Cc1cccc(C[NH+]2CCN(C(=O)C[N@H+](C)[C@@H]3CCc4ccccc43)CC2)c1 ZINC000029811021 1400357173 /nfs/dbraw/zinc/35/71/73/1400357173.db2.gz MUHSUFANBXIRSN-HSZRJFAPSA-N 2 2 377.532 3.259 20 0 GGADLP CC[NH+](CC)CC1CC[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000056494163 1407347870 /nfs/dbraw/zinc/34/78/70/1407347870.db2.gz FPKPDOJNOPLCRI-UHFFFAOYSA-N 2 2 396.461 3.235 20 0 GGADLP CC1CC[NH+](CCNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043530784 1403780817 /nfs/dbraw/zinc/78/08/17/1403780817.db2.gz WEHFAVDFFGAYAG-INIZCTEOSA-N 2 2 379.574 3.228 20 0 GGADLP CC1CC[NH+](CCNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CC1 ZINC000043530784 1403780822 /nfs/dbraw/zinc/78/08/22/1403780822.db2.gz WEHFAVDFFGAYAG-INIZCTEOSA-N 2 2 379.574 3.228 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043859769 1403833339 /nfs/dbraw/zinc/83/33/39/1403833339.db2.gz IWKXZUNFFRAPHK-IBGZPJMESA-N 2 2 383.540 3.038 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043859769 1403833343 /nfs/dbraw/zinc/83/33/43/1403833343.db2.gz IWKXZUNFFRAPHK-IBGZPJMESA-N 2 2 383.540 3.038 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043859768 1403833674 /nfs/dbraw/zinc/83/36/74/1403833674.db2.gz IWKXZUNFFRAPHK-LJQANCHMSA-N 2 2 383.540 3.038 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000043859768 1403833675 /nfs/dbraw/zinc/83/36/75/1403833675.db2.gz IWKXZUNFFRAPHK-LJQANCHMSA-N 2 2 383.540 3.038 20 0 GGADLP C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045042324 1404043102 /nfs/dbraw/zinc/04/31/02/1404043102.db2.gz LESBRACIUKUWSS-GOSISDBHSA-N 2 2 389.503 3.291 20 0 GGADLP C[C@@H](NC(=O)NCC[N@H+]1CCc2ccccc2C1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045042324 1404043112 /nfs/dbraw/zinc/04/31/12/1404043112.db2.gz LESBRACIUKUWSS-GOSISDBHSA-N 2 2 389.503 3.291 20 0 GGADLP CC(C)[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1 ZINC000045327749 1404099435 /nfs/dbraw/zinc/09/94/35/1404099435.db2.gz OAFKDUDRXSHOFX-JOCHJYFZSA-N 2 2 384.499 3.246 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C1CCCCC1 ZINC000045531589 1404140789 /nfs/dbraw/zinc/14/07/89/1404140789.db2.gz ZPSQXJHPVFIEKP-NRFANRHFSA-N 2 2 397.567 3.284 20 0 GGADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000045742504 1404192471 /nfs/dbraw/zinc/19/24/71/1404192471.db2.gz UWDPRMJAFSAEJL-UHFFFAOYSA-N 2 2 384.549 3.023 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000045807167 1404211163 /nfs/dbraw/zinc/21/11/63/1404211163.db2.gz ZDWCBBYFOLIYTB-UHFFFAOYSA-N 2 2 389.540 3.230 20 0 GGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000046019582 1404273506 /nfs/dbraw/zinc/27/35/06/1404273506.db2.gz VVKPVWCGONSTJY-IBGZPJMESA-N 2 2 383.540 3.243 20 0 GGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000046019582 1404273511 /nfs/dbraw/zinc/27/35/11/1404273511.db2.gz VVKPVWCGONSTJY-IBGZPJMESA-N 2 2 383.540 3.243 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000046019587 1404274344 /nfs/dbraw/zinc/27/43/44/1404274344.db2.gz IKRFDYQPJOUEHN-WOJBJXKFSA-N 2 2 397.567 3.489 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000046019276 1404274421 /nfs/dbraw/zinc/27/44/21/1404274421.db2.gz USRPYCIRCGFQMZ-UHFFFAOYSA-N 2 2 381.524 3.091 20 0 GGADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000046019787 1404275286 /nfs/dbraw/zinc/27/52/86/1404275286.db2.gz BNAGGOSCQUQPFV-UHFFFAOYSA-N 2 2 391.519 3.205 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000046426333 1404409583 /nfs/dbraw/zinc/40/95/83/1404409583.db2.gz HCBMZVYERPYCGZ-RTBURBONSA-N 2 2 383.540 3.099 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469233 1404430323 /nfs/dbraw/zinc/43/03/23/1404430323.db2.gz FSDNKLZIWQEKHB-FQEVSTJZSA-N 2 2 398.555 3.180 20 0 GGADLP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000046912132 1404631522 /nfs/dbraw/zinc/63/15/22/1404631522.db2.gz NXMQFSOVWHDAHJ-UHFFFAOYSA-N 2 2 395.547 3.291 20 0 GGADLP COc1ccc([C@H](CNC(=O)NCCNc2cccc[nH+]2)[NH+]2CCCCC2)cc1 ZINC000047501237 1404853037 /nfs/dbraw/zinc/85/30/37/1404853037.db2.gz JILCOEYWSQRUKG-FQEVSTJZSA-N 2 2 397.523 3.029 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NCCNc1cccc[nH+]1 ZINC000047501144 1404853106 /nfs/dbraw/zinc/85/31/06/1404853106.db2.gz FGYBADLFHBQVSF-GOSISDBHSA-N 2 2 381.524 3.367 20 0 GGADLP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCNc1cccc[nH+]1 ZINC000047501144 1404853107 /nfs/dbraw/zinc/85/31/07/1404853107.db2.gz FGYBADLFHBQVSF-GOSISDBHSA-N 2 2 381.524 3.367 20 0 GGADLP O=C(NCCNc1cccc[nH+]1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000047500909 1404853328 /nfs/dbraw/zinc/85/33/28/1404853328.db2.gz RZESYJCFQXRENH-SFHVURJKSA-N 2 2 387.915 3.283 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000047871543 1404978356 /nfs/dbraw/zinc/97/83/56/1404978356.db2.gz OVUZGJJSIMVEKD-FQEVSTJZSA-N 2 2 393.491 3.161 20 0 GGADLP CC[NH+](CC)CC1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000047978554 1405014878 /nfs/dbraw/zinc/01/48/78/1405014878.db2.gz ZMFSJWWATCMKEL-UHFFFAOYSA-N 2 2 376.476 3.342 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000047988699 1405019977 /nfs/dbraw/zinc/01/99/77/1405019977.db2.gz YAUQEMHBGZAVGD-QAPCUYQASA-N 2 2 375.904 3.061 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000176274569 1428214944 /nfs/dbraw/zinc/21/49/44/1428214944.db2.gz BRBZNSWISRPKHH-IBGZPJMESA-N 2 2 394.563 3.447 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000176274569 1428214959 /nfs/dbraw/zinc/21/49/59/1428214959.db2.gz BRBZNSWISRPKHH-IBGZPJMESA-N 2 2 394.563 3.447 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000176274569 1428214970 /nfs/dbraw/zinc/21/49/70/1428214970.db2.gz BRBZNSWISRPKHH-IBGZPJMESA-N 2 2 394.563 3.447 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000176274569 1428214984 /nfs/dbraw/zinc/21/49/84/1428214984.db2.gz BRBZNSWISRPKHH-IBGZPJMESA-N 2 2 394.563 3.447 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000176274588 1428215120 /nfs/dbraw/zinc/21/51/20/1428215120.db2.gz BRBZNSWISRPKHH-LJQANCHMSA-N 2 2 394.563 3.447 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000176274588 1428215125 /nfs/dbraw/zinc/21/51/25/1428215125.db2.gz BRBZNSWISRPKHH-LJQANCHMSA-N 2 2 394.563 3.447 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000176274588 1428215133 /nfs/dbraw/zinc/21/51/33/1428215133.db2.gz BRBZNSWISRPKHH-LJQANCHMSA-N 2 2 394.563 3.447 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)C1 ZINC000176274588 1428215141 /nfs/dbraw/zinc/21/51/41/1428215141.db2.gz BRBZNSWISRPKHH-LJQANCHMSA-N 2 2 394.563 3.447 20 0 GGADLP Cn1ccnc1[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)cc1 ZINC000048710525 1405264006 /nfs/dbraw/zinc/26/40/06/1405264006.db2.gz FAVQFIKNROKNHR-OAQYLSRUSA-N 2 2 382.483 3.379 20 0 GGADLP CC[NH+](CC)CC1CCN(C(=O)CSCc2cn3cc(C)ccc3[nH+]2)CC1 ZINC000049079131 1405339036 /nfs/dbraw/zinc/33/90/36/1405339036.db2.gz AJRIGHDCTOIAQG-UHFFFAOYSA-N 2 2 388.581 3.456 20 0 GGADLP COc1ccc2oc(C)c(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000050797750 1405654752 /nfs/dbraw/zinc/65/47/52/1405654752.db2.gz ADZUITUGNYMYJH-UHFFFAOYSA-N 2 2 385.508 3.038 20 0 GGADLP C[C@@H](Sc1ccccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797598 1405655409 /nfs/dbraw/zinc/65/54/09/1405655409.db2.gz DXVXKYZHTZWHHJ-OAHLLOKOSA-N 2 2 396.000 3.495 20 0 GGADLP CC(C)Sc1ccccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797638 1405655903 /nfs/dbraw/zinc/65/59/03/1405655903.db2.gz MDSPWIAWJHAXIR-UHFFFAOYSA-N 2 2 375.582 3.476 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)CC1 ZINC000050797755 1405656209 /nfs/dbraw/zinc/65/62/09/1405656209.db2.gz GVGLFHWSPZSBOP-IRXDYDNUSA-N 2 2 375.479 3.030 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000050797526 1405656300 /nfs/dbraw/zinc/65/63/00/1405656300.db2.gz OEJSGFZDNNRRLK-UHFFFAOYSA-N 2 2 387.421 3.133 20 0 GGADLP CCSCc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050797249 1405656381 /nfs/dbraw/zinc/65/63/81/1405656381.db2.gz PUUGJKKPUPGMKH-UHFFFAOYSA-N 2 2 375.582 3.228 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000050797839 1405656851 /nfs/dbraw/zinc/65/68/51/1405656851.db2.gz PIBUHTFDLNBWNB-HUUCEWRRSA-N 2 2 375.479 3.030 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3occc3COc3ccccc3)CC2)CC1 ZINC000050799796 1405656907 /nfs/dbraw/zinc/65/69/07/1405656907.db2.gz WVCVAUFKRZTZIG-UHFFFAOYSA-N 2 2 397.519 3.147 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3csc(-c4cccs4)n3)CC2)CC1 ZINC000050800145 1405657098 /nfs/dbraw/zinc/65/70/98/1405657098.db2.gz USHCPKXCWCBYJG-UHFFFAOYSA-N 2 2 390.578 3.160 20 0 GGADLP CC(C)c1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)nn1C(C)(C)C ZINC000050797829 1405657267 /nfs/dbraw/zinc/65/72/67/1405657267.db2.gz OKYGUUJYIWCXHI-UHFFFAOYSA-N 2 2 389.588 3.050 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4cccc(Cl)c4)CC3)CC2)CC1 ZINC000050798976 1405657736 /nfs/dbraw/zinc/65/77/36/1405657736.db2.gz QXAHOQZPRQTLKG-UHFFFAOYSA-N 2 2 375.944 3.046 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000050798186 1405658206 /nfs/dbraw/zinc/65/82/06/1405658206.db2.gz IPUZRAGGILKXEZ-UHFFFAOYSA-N 2 2 384.549 3.099 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(OC4CCCC4)cc3)CC2)CC1 ZINC000050798742 1405658477 /nfs/dbraw/zinc/65/84/77/1405658477.db2.gz PACQTSLOVPCRKR-UHFFFAOYSA-N 2 2 385.552 3.296 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCSc3ccc(Cl)cc3)CC2)CC1 ZINC000050802317 1405658915 /nfs/dbraw/zinc/65/89/15/1405658915.db2.gz QXTWZNVNMFYZMG-UHFFFAOYSA-N 2 2 396.000 3.497 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3coc4cc5c(cc34)CCC5)CC2)CC1 ZINC000050802775 1405659583 /nfs/dbraw/zinc/65/95/83/1405659583.db2.gz AKUOYIQYSNDJJU-UHFFFAOYSA-N 2 2 395.547 3.139 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSCc3ccc(Cl)cc3)CC2)CC1 ZINC000050802977 1405659628 /nfs/dbraw/zinc/65/96/28/1405659628.db2.gz CPDWUUVIIQFKIO-UHFFFAOYSA-N 2 2 396.000 3.248 20 0 GGADLP C[C@H]1CCc2sc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2C1 ZINC000050801109 1405659710 /nfs/dbraw/zinc/65/97/10/1405659710.db2.gz IYRVACJZKNRLTK-HNNXBMFYSA-N 2 2 375.582 3.161 20 0 GGADLP CCCc1ccc(C(=O)CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801738 1405659870 /nfs/dbraw/zinc/65/98/70/1405659870.db2.gz MQYVMWMBNUABIU-UHFFFAOYSA-N 2 2 399.579 3.277 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc4c(s3)CCCCC4)CC2)CC1 ZINC000050800820 1405660196 /nfs/dbraw/zinc/66/01/96/1405660196.db2.gz ISPHOGSZPBTMGE-UHFFFAOYSA-N 2 2 375.582 3.305 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[NH+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000051123466 1405727631 /nfs/dbraw/zinc/72/76/31/1405727631.db2.gz SPXCBAPHXCYIJX-BGYRXZFFSA-N 2 2 395.547 3.044 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)C[NH+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000051123466 1405727642 /nfs/dbraw/zinc/72/76/42/1405727642.db2.gz SPXCBAPHXCYIJX-BGYRXZFFSA-N 2 2 395.547 3.044 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[N@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000051123466 1405727650 /nfs/dbraw/zinc/72/76/50/1405727650.db2.gz SPXCBAPHXCYIJX-BGYRXZFFSA-N 2 2 395.547 3.044 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)Cc3ccccc3)cc2)C[C@H](C)O1 ZINC000051123466 1405727660 /nfs/dbraw/zinc/72/76/60/1405727660.db2.gz SPXCBAPHXCYIJX-BGYRXZFFSA-N 2 2 395.547 3.044 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000051238259 1405751880 /nfs/dbraw/zinc/75/18/80/1405751880.db2.gz DBOKFVGXEOZCIJ-UHFFFAOYSA-N 2 2 398.473 3.063 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)c1C ZINC000051333971 1405786720 /nfs/dbraw/zinc/78/67/20/1405786720.db2.gz ZBAFQOILAHNSKC-CQSZACIVSA-N 2 2 388.537 3.015 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)c1C ZINC000051333971 1405786729 /nfs/dbraw/zinc/78/67/29/1405786729.db2.gz ZBAFQOILAHNSKC-CQSZACIVSA-N 2 2 388.537 3.015 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)c1C ZINC000051335237 1405788759 /nfs/dbraw/zinc/78/87/59/1405788759.db2.gz CNITVHZRRWDQLS-UHFFFAOYSA-N 2 2 382.508 3.302 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3c3cccs3)CC2)CC1 ZINC000051759571 1405860580 /nfs/dbraw/zinc/86/05/80/1405860580.db2.gz RJQABFJAWYDDDJ-SFHVURJKSA-N 2 2 376.570 3.153 20 0 GGADLP C[C@H](c1ccc(F)cc1)N(C)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759118 1405860717 /nfs/dbraw/zinc/86/07/17/1405860717.db2.gz XNANKIDZYXVUCL-MRXNPFEDSA-N 2 2 376.520 3.087 20 0 GGADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc2ccccc2o1 ZINC000051759365 1405860765 /nfs/dbraw/zinc/86/07/65/1405860765.db2.gz CFXXXULGPATUJU-INIZCTEOSA-N 2 2 384.524 3.352 20 0 GGADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1Cl ZINC000051759641 1405860822 /nfs/dbraw/zinc/86/08/22/1405860822.db2.gz HKUGXQGWXOMPAF-OAHLLOKOSA-N 2 2 378.948 3.259 20 0 GGADLP CC[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1OC ZINC000051760848 1405861185 /nfs/dbraw/zinc/86/11/85/1405861185.db2.gz VKIGNRUHPTXXML-HXUWFJFHSA-N 2 2 388.556 3.004 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCCCC[C@@H]3c3ccncc3)CC2)CC1 ZINC000051759951 1405861209 /nfs/dbraw/zinc/86/12/09/1405861209.db2.gz XUZFCXNGASKPHX-JOCHJYFZSA-N 2 2 399.583 3.267 20 0 GGADLP Cc1cc([C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)s1 ZINC000051760937 1405861337 /nfs/dbraw/zinc/86/13/37/1405861337.db2.gz HULOAHCCAMWQBF-OAHLLOKOSA-N 2 2 378.586 3.284 20 0 GGADLP Cc1ccccc1[C@H]1CCCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051777819 1405862731 /nfs/dbraw/zinc/86/27/31/1405862731.db2.gz OYWKMSPWMFKKLU-JOCHJYFZSA-N 2 2 384.568 3.400 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3CCc3ccccc3)CC2)CC1 ZINC000051777899 1405862802 /nfs/dbraw/zinc/86/28/02/1405862802.db2.gz ZFUCWWSTWHICMK-QHCPKHFHSA-N 2 2 398.595 3.352 20 0 GGADLP CC(C)c1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)n2)cc1 ZINC000051957504 1405890019 /nfs/dbraw/zinc/89/00/19/1405890019.db2.gz GNFLURQVTTVHAE-UHFFFAOYSA-N 2 2 384.524 3.404 20 0 GGADLP C/C=C/c1ccc(OC[C@@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000052003933 1405896374 /nfs/dbraw/zinc/89/63/74/1405896374.db2.gz DKCNWKPFGKNXCR-IVYDRHTBSA-N 2 2 388.552 3.418 20 0 GGADLP Cc1cc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)on1 ZINC000052011043 1405897801 /nfs/dbraw/zinc/89/78/01/1405897801.db2.gz PSWUJUVDHBMJSF-NRFANRHFSA-N 2 2 396.535 3.209 20 0 GGADLP Cc1cc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)on1 ZINC000052011043 1405897805 /nfs/dbraw/zinc/89/78/05/1405897805.db2.gz PSWUJUVDHBMJSF-NRFANRHFSA-N 2 2 396.535 3.209 20 0 GGADLP O=C(C[N@H+](CC1CCCCC1)C1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052245023 1406000622 /nfs/dbraw/zinc/00/06/22/1406000622.db2.gz NQNRKAOZRFJFOK-UHFFFAOYSA-N 2 2 399.579 3.180 20 0 GGADLP O=C(C[N@@H+](CC1CCCCC1)C1CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000052245023 1406000632 /nfs/dbraw/zinc/00/06/32/1406000632.db2.gz NQNRKAOZRFJFOK-UHFFFAOYSA-N 2 2 399.579 3.180 20 0 GGADLP CCCOc1ccc(Cl)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000176289659 1428223496 /nfs/dbraw/zinc/22/34/96/1428223496.db2.gz TZVVUYGXZGHTHW-UHFFFAOYSA-N 2 2 393.959 3.417 20 0 GGADLP C[C@@H]1CCC[C@](CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)([NH+](C)C)C1 ZINC000052522465 1406072885 /nfs/dbraw/zinc/07/28/85/1406072885.db2.gz IFXQXAUWMHWRPJ-XXBNENTESA-N 2 2 397.567 3.284 20 0 GGADLP CC(C)(C)CC[NH+]1CCN(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CC1 ZINC000056848442 1407455063 /nfs/dbraw/zinc/45/50/63/1407455063.db2.gz ZBQSXCWUVURCLJ-UHFFFAOYSA-N 2 2 383.540 3.195 20 0 GGADLP CC(C)[N@H+](C)CC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000056872958 1407461406 /nfs/dbraw/zinc/46/14/06/1407461406.db2.gz KYLJVJDQUIXREM-UHFFFAOYSA-N 2 2 383.540 3.193 20 0 GGADLP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000056872958 1407461412 /nfs/dbraw/zinc/46/14/12/1407461412.db2.gz KYLJVJDQUIXREM-UHFFFAOYSA-N 2 2 383.540 3.193 20 0 GGADLP CC(C)(C)CC[NH+]1CCN(C(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000056872931 1407461449 /nfs/dbraw/zinc/46/14/49/1407461449.db2.gz WGNFONPKZNSGPU-UHFFFAOYSA-N 2 2 383.540 3.195 20 0 GGADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056894629 1407468532 /nfs/dbraw/zinc/46/85/32/1407468532.db2.gz ORURVHZCJANULJ-UHFFFAOYSA-N 2 2 377.492 3.146 20 0 GGADLP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895332 1407469198 /nfs/dbraw/zinc/46/91/98/1407469198.db2.gz LXOMFSHKTPUAPT-UHFFFAOYSA-N 2 2 389.503 3.120 20 0 GGADLP O=C(NCCC[N@H+]1CCc2ccccc2C1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895332 1407469204 /nfs/dbraw/zinc/46/92/04/1407469204.db2.gz LXOMFSHKTPUAPT-UHFFFAOYSA-N 2 2 389.503 3.120 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000056895414 1407469685 /nfs/dbraw/zinc/46/96/85/1407469685.db2.gz IPLZOCWLLGVIIB-KDURUIRLSA-N 2 2 383.540 3.430 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000056895414 1407469689 /nfs/dbraw/zinc/46/96/89/1407469689.db2.gz IPLZOCWLLGVIIB-KDURUIRLSA-N 2 2 383.540 3.430 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000056937627 1407478941 /nfs/dbraw/zinc/47/89/41/1407478941.db2.gz ORPWGJPTRQUXSK-LJQANCHMSA-N 2 2 390.528 3.017 20 0 GGADLP Cc1cccc(N2CCC(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000176335870 1428251914 /nfs/dbraw/zinc/25/19/14/1428251914.db2.gz CCSWPTHWQDLXJQ-NRFANRHFSA-N 2 2 396.510 3.279 20 0 GGADLP Cc1cccc(N2CCC(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000176335870 1428251925 /nfs/dbraw/zinc/25/19/25/1428251925.db2.gz CCSWPTHWQDLXJQ-NRFANRHFSA-N 2 2 396.510 3.279 20 0 GGADLP C[NH+](C)Cc1cccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000057341337 1407592623 /nfs/dbraw/zinc/59/26/23/1407592623.db2.gz QDOYZJFYCMRIAE-UHFFFAOYSA-N 2 2 391.475 3.226 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)C1 ZINC000057376548 1407600273 /nfs/dbraw/zinc/60/02/73/1407600273.db2.gz JUWOHGWWRBHNQX-IBGZPJMESA-N 2 2 383.540 3.395 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCCCn3cc[nH+]c3)cc2)C1 ZINC000057376548 1407600281 /nfs/dbraw/zinc/60/02/81/1407600281.db2.gz JUWOHGWWRBHNQX-IBGZPJMESA-N 2 2 383.540 3.395 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000057631031 1407671307 /nfs/dbraw/zinc/67/13/07/1407671307.db2.gz GJIOTTMBJCTOGW-HXUWFJFHSA-N 2 2 384.524 3.460 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CC[NH+](CC(C)C)C3)c2C1 ZINC000176342183 1428257533 /nfs/dbraw/zinc/25/75/33/1428257533.db2.gz IVTKOZQNMOKNOT-GOSISDBHSA-N 2 2 394.563 3.321 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CC[NH+](CC(C)C)C3)c2C1 ZINC000176342183 1428257545 /nfs/dbraw/zinc/25/75/45/1428257545.db2.gz IVTKOZQNMOKNOT-GOSISDBHSA-N 2 2 394.563 3.321 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CC[N@H+](CC(C)C)C3)c2C1 ZINC000176342183 1428257560 /nfs/dbraw/zinc/25/75/60/1428257560.db2.gz IVTKOZQNMOKNOT-GOSISDBHSA-N 2 2 394.563 3.321 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)c2C1 ZINC000176342183 1428257571 /nfs/dbraw/zinc/25/75/71/1428257571.db2.gz IVTKOZQNMOKNOT-GOSISDBHSA-N 2 2 394.563 3.321 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057784949 1407715294 /nfs/dbraw/zinc/71/52/94/1407715294.db2.gz PZOJEECSHWOWJQ-NRFANRHFSA-N 2 2 393.535 3.146 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057784949 1407715306 /nfs/dbraw/zinc/71/53/06/1407715306.db2.gz PZOJEECSHWOWJQ-NRFANRHFSA-N 2 2 393.535 3.146 20 0 GGADLP C[C@@H]1CCC[C@](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)([NH+](C)C)C1 ZINC000057819902 1407728682 /nfs/dbraw/zinc/72/86/82/1407728682.db2.gz BDLZEBKJEOKINI-GCJKJVERSA-N 2 2 383.540 3.241 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000057843740 1407735723 /nfs/dbraw/zinc/73/57/23/1407735723.db2.gz DGOHHVPRDFDKHY-UHFFFAOYSA-N 2 2 376.504 3.267 20 0 GGADLP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000057843740 1407735729 /nfs/dbraw/zinc/73/57/29/1407735729.db2.gz DGOHHVPRDFDKHY-UHFFFAOYSA-N 2 2 376.504 3.267 20 0 GGADLP CC(C)([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)cc1 ZINC000057846762 1407737062 /nfs/dbraw/zinc/73/70/62/1407737062.db2.gz MNQGCVZTXNZADA-UHFFFAOYSA-N 2 2 386.927 3.299 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1cccs1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000058016367 1407770536 /nfs/dbraw/zinc/77/05/36/1407770536.db2.gz QOBUDIHLEXVKPU-GOSISDBHSA-N 2 2 391.581 3.036 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1cccs1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000058016367 1407770540 /nfs/dbraw/zinc/77/05/40/1407770540.db2.gz QOBUDIHLEXVKPU-GOSISDBHSA-N 2 2 391.581 3.036 20 0 GGADLP O=C1NC2(CCCCCC2)C(=O)N1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000058193931 1407796919 /nfs/dbraw/zinc/79/69/19/1407796919.db2.gz ZVPHOQHQDDCZFV-UHFFFAOYSA-N 2 2 390.572 3.177 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000058563625 1407845420 /nfs/dbraw/zinc/84/54/20/1407845420.db2.gz MRRGZHGGIUKGGG-AUSIDOKSSA-N 2 2 377.532 3.187 20 0 GGADLP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@@H](c3ccccc3)C2)CC1 ZINC000058563625 1407845422 /nfs/dbraw/zinc/84/54/22/1407845422.db2.gz MRRGZHGGIUKGGG-AUSIDOKSSA-N 2 2 377.532 3.187 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)c1ccccc1 ZINC000058781642 1407879978 /nfs/dbraw/zinc/87/99/78/1407879978.db2.gz KXFDSBHDGGONPI-LEWJYISDSA-N 2 2 383.561 3.196 20 0 GGADLP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000058811122 1407884895 /nfs/dbraw/zinc/88/48/95/1407884895.db2.gz RMTZQFCIERSFBU-OAQYLSRUSA-N 2 2 399.560 3.356 20 0 GGADLP C[N@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)Cc1ccccc1 ZINC000058833768 1407888073 /nfs/dbraw/zinc/88/80/73/1407888073.db2.gz BSUSOAUBQUXDKK-OAQYLSRUSA-N 2 2 383.561 3.025 20 0 GGADLP C[N@@H+](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)Cc1ccccc1 ZINC000058833768 1407888078 /nfs/dbraw/zinc/88/80/78/1407888078.db2.gz BSUSOAUBQUXDKK-OAQYLSRUSA-N 2 2 383.561 3.025 20 0 GGADLP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[NH+]1CCC(C)CC1 ZINC000058877920 1407892846 /nfs/dbraw/zinc/89/28/46/1407892846.db2.gz NFUWYQZADXBWJY-QUCCMNQESA-N 2 2 375.582 3.013 20 0 GGADLP CC1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)C2=O ZINC000058913115 1407898008 /nfs/dbraw/zinc/89/80/08/1407898008.db2.gz QHIOYJVNCOHBEG-UHFFFAOYSA-N 2 2 390.572 3.033 20 0 GGADLP CC[NH+](CC)CC(=O)Nc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000059385904 1407920271 /nfs/dbraw/zinc/92/02/71/1407920271.db2.gz ZZLBGJNSBJJWNR-UHFFFAOYSA-N 2 2 394.563 3.285 20 0 GGADLP Cc1cc(C)cc(C[C@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000176381939 1428287192 /nfs/dbraw/zinc/28/71/92/1428287192.db2.gz PJGJYFLLSDTICW-IBGZPJMESA-N 2 2 386.584 3.092 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[NH+](C)C)cc1 ZINC000062657108 1408288251 /nfs/dbraw/zinc/28/82/51/1408288251.db2.gz OQRAVGRIBUWTRJ-NRFANRHFSA-N 2 2 395.482 3.422 20 0 GGADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000063645155 1408386511 /nfs/dbraw/zinc/38/65/11/1408386511.db2.gz AYACUISSVFHDLI-QHCPKHFHSA-N 2 2 392.547 3.037 20 0 GGADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000063645155 1408386521 /nfs/dbraw/zinc/38/65/21/1408386521.db2.gz AYACUISSVFHDLI-QHCPKHFHSA-N 2 2 392.547 3.037 20 0 GGADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000063645155 1408386531 /nfs/dbraw/zinc/38/65/31/1408386531.db2.gz AYACUISSVFHDLI-QHCPKHFHSA-N 2 2 392.547 3.037 20 0 GGADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000063645155 1408386539 /nfs/dbraw/zinc/38/65/39/1408386539.db2.gz AYACUISSVFHDLI-QHCPKHFHSA-N 2 2 392.547 3.037 20 0 GGADLP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000176448134 1428323535 /nfs/dbraw/zinc/32/35/35/1428323535.db2.gz VUMBLKZRQTWLFM-UHFFFAOYSA-N 2 2 383.521 3.207 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)[NH+]2CCCC2)cc1 ZINC000064237667 1408519351 /nfs/dbraw/zinc/51/93/51/1408519351.db2.gz CCCSHOLDFCOGBP-NRFANRHFSA-N 2 2 393.535 3.059 20 0 GGADLP c1csc(-c2n[nH]cc2C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)c1 ZINC000065014032 1408636060 /nfs/dbraw/zinc/63/60/60/1408636060.db2.gz AOEFFBPGDUYUDG-UHFFFAOYSA-N 2 2 398.532 3.139 20 0 GGADLP Cc1ccc(C[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)C)s1 ZINC000065161814 1408649651 /nfs/dbraw/zinc/64/96/51/1408649651.db2.gz WTUZDSQREYMTSO-UHFFFAOYSA-N 2 2 386.565 3.401 20 0 GGADLP Cc1ccc(C[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C(C)C)s1 ZINC000065161814 1408649654 /nfs/dbraw/zinc/64/96/54/1408649654.db2.gz WTUZDSQREYMTSO-UHFFFAOYSA-N 2 2 386.565 3.401 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065446830 1408670520 /nfs/dbraw/zinc/67/05/20/1408670520.db2.gz WUWPEZVFPDDDOO-UHFFFAOYSA-N 2 2 395.551 3.339 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000065461447 1408672933 /nfs/dbraw/zinc/67/29/33/1408672933.db2.gz PDUBXJNAIUGRQB-UHFFFAOYSA-N 2 2 381.524 3.280 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccco1 ZINC000065481076 1408676726 /nfs/dbraw/zinc/67/67/26/1408676726.db2.gz GMJRHYNJPCSNKL-HXUWFJFHSA-N 2 2 395.507 3.407 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000176493527 1428338786 /nfs/dbraw/zinc/33/87/86/1428338786.db2.gz SASJGDNTWFTXIX-LJQANCHMSA-N 2 2 399.583 3.267 20 0 GGADLP C[N@H+](CCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000065541816 1408686112 /nfs/dbraw/zinc/68/61/12/1408686112.db2.gz DBYPZKOUOUHROV-MDWZMJQESA-N 2 2 392.547 3.159 20 0 GGADLP C[N@@H+](CCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)Cc1ccccc1 ZINC000065541816 1408686116 /nfs/dbraw/zinc/68/61/16/1408686116.db2.gz DBYPZKOUOUHROV-MDWZMJQESA-N 2 2 392.547 3.159 20 0 GGADLP CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000066006639 1408772899 /nfs/dbraw/zinc/77/28/99/1408772899.db2.gz LCFHCVAOEBJHAA-HXUWFJFHSA-N 2 2 399.608 3.427 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000066046471 1408778341 /nfs/dbraw/zinc/77/83/41/1408778341.db2.gz PBRVIEVQKUJYIL-SELNLUPBSA-N 2 2 395.547 3.215 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000066046471 1408778343 /nfs/dbraw/zinc/77/83/43/1408778343.db2.gz PBRVIEVQKUJYIL-SELNLUPBSA-N 2 2 395.547 3.215 20 0 GGADLP C[C@@H]1C[N@@H+](C[C@H](O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)C[C@H](C)O1 ZINC000066475753 1408844466 /nfs/dbraw/zinc/84/44/66/1408844466.db2.gz SLVAMZHAJBKYLS-NSHGMRRFSA-N 2 2 394.519 3.119 20 0 GGADLP C[C@@H]1C[N@H+](C[C@H](O)Cn2c3ccccc3[nH+]c2NCc2ccccc2)C[C@H](C)O1 ZINC000066475753 1408844467 /nfs/dbraw/zinc/84/44/67/1408844467.db2.gz SLVAMZHAJBKYLS-NSHGMRRFSA-N 2 2 394.519 3.119 20 0 GGADLP Cc1ncsc1C[N@@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000066562679 1408858056 /nfs/dbraw/zinc/85/80/56/1408858056.db2.gz SLSJLVJUFSILKC-QGZVFWFLSA-N 2 2 386.565 3.053 20 0 GGADLP Cc1ncsc1C[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000066562679 1408858057 /nfs/dbraw/zinc/85/80/57/1408858057.db2.gz SLSJLVJUFSILKC-QGZVFWFLSA-N 2 2 386.565 3.053 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cc(F)ccc3F)CC2)CC1 ZINC000066568067 1408858491 /nfs/dbraw/zinc/85/84/91/1408858491.db2.gz WWPPQMCKDBLETH-INIZCTEOSA-N 2 2 379.495 3.292 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3csc(C(C)C)n3)CC2)CC1 ZINC000066568330 1408859079 /nfs/dbraw/zinc/85/90/79/1408859079.db2.gz FDDWMBFZAAQFHY-UHFFFAOYSA-N 2 2 378.586 3.033 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000066877034 1408940003 /nfs/dbraw/zinc/94/00/03/1408940003.db2.gz XAKKUMKLPSDTME-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP FC(F)(F)c1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccn[nH]3)CC2)c1 ZINC000066972679 1408969470 /nfs/dbraw/zinc/96/94/70/1408969470.db2.gz ZUKCNXTVRUGHHD-UHFFFAOYSA-N 2 2 381.446 3.121 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)c1cccc(F)c1 ZINC000066985839 1408972243 /nfs/dbraw/zinc/97/22/43/1408972243.db2.gz AJAYAHZMOOBNHE-FQEVSTJZSA-N 2 2 381.455 3.114 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000066985861 1408972557 /nfs/dbraw/zinc/97/25/57/1408972557.db2.gz CRFAADRCJVLAQV-HXUWFJFHSA-N 2 2 393.491 3.492 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000066985970 1408972783 /nfs/dbraw/zinc/97/27/83/1408972783.db2.gz XFUYVAWWTLAVRN-UHFFFAOYSA-N 2 2 395.482 3.285 20 0 GGADLP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000067042810 1408990363 /nfs/dbraw/zinc/99/03/63/1408990363.db2.gz ZUDQLQLDGPHYJK-UHFFFAOYSA-N 2 2 395.551 3.475 20 0 GGADLP Cc1ccccc1-c1nc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000067191427 1409037058 /nfs/dbraw/zinc/03/70/58/1409037058.db2.gz TXBNDTKRBRQNDK-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP Cc1ccccc1-c1nc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000067191427 1409037061 /nfs/dbraw/zinc/03/70/61/1409037061.db2.gz TXBNDTKRBRQNDK-UHFFFAOYSA-N 2 2 386.565 3.217 20 0 GGADLP CCOc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2)cc(Br)c1OC ZINC000067500955 1409138960 /nfs/dbraw/zinc/13/89/60/1409138960.db2.gz IOHZFXYABDWNAQ-ZDUSSCGKSA-N 2 2 382.302 3.479 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176611940 1428379632 /nfs/dbraw/zinc/37/96/32/1428379632.db2.gz YUJKXNRZANNXGD-WOJBJXKFSA-N 2 2 387.572 3.202 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000067645579 1409194746 /nfs/dbraw/zinc/19/47/46/1409194746.db2.gz CQXTWJIBUXOUOL-IBGZPJMESA-N 2 2 393.466 3.085 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067645579 1409194757 /nfs/dbraw/zinc/19/47/57/1409194757.db2.gz CQXTWJIBUXOUOL-IBGZPJMESA-N 2 2 393.466 3.085 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(F)c1 ZINC000067645610 1409195166 /nfs/dbraw/zinc/19/51/66/1409195166.db2.gz AGRXPDRSECZTSX-FQEVSTJZSA-N 2 2 399.445 3.253 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000176626833 1428383431 /nfs/dbraw/zinc/38/34/31/1428383431.db2.gz RETGYRZBTWUASL-HXUWFJFHSA-N 2 2 387.572 3.204 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000176626833 1428383440 /nfs/dbraw/zinc/38/34/40/1428383440.db2.gz RETGYRZBTWUASL-HXUWFJFHSA-N 2 2 387.572 3.204 20 0 GGADLP O=C(CC[N@H+](C1CC1)[C@H]1CCc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000067712325 1409213397 /nfs/dbraw/zinc/21/33/97/1409213397.db2.gz GFOPFEMDTKGCSL-QFIPXVFZSA-N 2 2 390.531 3.272 20 0 GGADLP O=C(CC[N@@H+](C1CC1)[C@H]1CCc2ccccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000067712325 1409213403 /nfs/dbraw/zinc/21/34/03/1409213403.db2.gz GFOPFEMDTKGCSL-QFIPXVFZSA-N 2 2 390.531 3.272 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccccc2OCC(=O)N(C)C)cc1F ZINC000067977610 1409268633 /nfs/dbraw/zinc/26/86/33/1409268633.db2.gz KTLCZKSZQHXUBL-UHFFFAOYSA-N 2 2 396.466 3.077 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068245122 1409338801 /nfs/dbraw/zinc/33/88/01/1409338801.db2.gz LVYNJXBYOFECQL-OAQYLSRUSA-N 2 2 381.495 3.170 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000068245122 1409338808 /nfs/dbraw/zinc/33/88/08/1409338808.db2.gz LVYNJXBYOFECQL-OAQYLSRUSA-N 2 2 381.495 3.170 20 0 GGADLP Cc1nc(C[NH+]2CCC(C(=O)N3CC[NH+](CCC(C)(C)C)CC3)CC2)cs1 ZINC000068303252 1409357600 /nfs/dbraw/zinc/35/76/00/1409357600.db2.gz NCHGJXNKMWELFX-UHFFFAOYSA-N 2 2 392.613 3.244 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000068406790 1409393502 /nfs/dbraw/zinc/39/35/02/1409393502.db2.gz PLSMQPQRWVTJGJ-UHFFFAOYSA-N 2 2 396.510 3.059 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000068406790 1409393507 /nfs/dbraw/zinc/39/35/07/1409393507.db2.gz PLSMQPQRWVTJGJ-UHFFFAOYSA-N 2 2 396.510 3.059 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCCn1cc[nH+]c1)c1ccc(C(F)(F)F)cc1 ZINC000068548321 1409434861 /nfs/dbraw/zinc/43/48/61/1409434861.db2.gz MTZDVQPAGZDTHJ-QGZVFWFLSA-N 2 2 397.445 3.284 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000068639920 1409453600 /nfs/dbraw/zinc/45/36/00/1409453600.db2.gz FHLYSOPZLBKVHH-JOCHJYFZSA-N 2 2 378.520 3.139 20 0 GGADLP S=c1snc(-c2ccccc2)n1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000068872068 1409512616 /nfs/dbraw/zinc/51/26/16/1409512616.db2.gz RCCLIMJTYSRIJO-UHFFFAOYSA-N 2 2 390.578 3.343 20 0 GGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000069017100 1409544245 /nfs/dbraw/zinc/54/42/45/1409544245.db2.gz JPKWZBUOFQNRPT-WOJBJXKFSA-N 2 2 382.552 3.253 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000069029086 1409546924 /nfs/dbraw/zinc/54/69/24/1409546924.db2.gz MCMZJECYHGIWGU-INIZCTEOSA-N 2 2 379.932 3.020 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Cl)c1 ZINC000069029082 1409547068 /nfs/dbraw/zinc/54/70/68/1409547068.db2.gz MCMZJECYHGIWGU-MRXNPFEDSA-N 2 2 379.932 3.020 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000069215112 1409588217 /nfs/dbraw/zinc/58/82/17/1409588217.db2.gz LUIADJHVBYHPJR-UHFFFAOYSA-N 2 2 381.524 3.238 20 0 GGADLP O=C(C[N@H+](CC1CC1)C1CCCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000069608128 1409661798 /nfs/dbraw/zinc/66/17/98/1409661798.db2.gz ACELZMNNNVGTAM-UHFFFAOYSA-N 2 2 399.579 3.180 20 0 GGADLP O=C(C[N@@H+](CC1CC1)C1CCCCC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000069608128 1409661801 /nfs/dbraw/zinc/66/18/01/1409661801.db2.gz ACELZMNNNVGTAM-UHFFFAOYSA-N 2 2 399.579 3.180 20 0 GGADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(CSC(F)F)o3)ccn2)CC1 ZINC000069707913 1409678497 /nfs/dbraw/zinc/67/84/97/1409678497.db2.gz LPWLEELPLYNNGW-UHFFFAOYSA-N 2 2 382.480 3.172 20 0 GGADLP CC(C)(C)n1cc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000069748074 1409691321 /nfs/dbraw/zinc/69/13/21/1409691321.db2.gz GWRLZAXJZSYYMW-UHFFFAOYSA-N 2 2 383.584 3.326 20 0 GGADLP CC1CC[NH+](CCCCNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000070027444 1409741563 /nfs/dbraw/zinc/74/15/63/1409741563.db2.gz KZYWHVZZOPXIEO-OAQYLSRUSA-N 2 2 389.609 3.405 20 0 GGADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000072032413 1409839101 /nfs/dbraw/zinc/83/91/01/1409839101.db2.gz NSIMVHOLZAMBMM-JOCHJYFZSA-N 2 2 395.547 3.204 20 0 GGADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@@H]1c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000072032413 1409839103 /nfs/dbraw/zinc/83/91/03/1409839103.db2.gz NSIMVHOLZAMBMM-JOCHJYFZSA-N 2 2 395.547 3.204 20 0 GGADLP CC[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1)c1cccs1 ZINC000073794986 1409866079 /nfs/dbraw/zinc/86/60/79/1409866079.db2.gz CGXJRFHQYRLPLJ-QGZVFWFLSA-N 2 2 378.586 3.449 20 0 GGADLP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000075007967 1409880213 /nfs/dbraw/zinc/88/02/13/1409880213.db2.gz ZZAACZMPXZXNGH-QGZVFWFLSA-N 2 2 379.520 3.284 20 0 GGADLP c1nn(Cc2ccccc2)cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000075810029 1409883034 /nfs/dbraw/zinc/88/30/34/1409883034.db2.gz QLJGORDNXQCSTE-UHFFFAOYSA-N 2 2 376.504 3.053 20 0 GGADLP CC1(C)CC(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)CC(C)(C)[NH2+]1 ZINC000075987872 1409884328 /nfs/dbraw/zinc/88/43/28/1409884328.db2.gz GOAVOCYDSDTUIB-GOSISDBHSA-N 2 2 375.582 3.202 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1)c1ccsc1 ZINC000076057468 1409884980 /nfs/dbraw/zinc/88/49/80/1409884980.db2.gz ATCNGBKIGIQOOU-DOTOQJQBSA-N 2 2 375.542 3.443 20 0 GGADLP CN(C)c1ccc([NH+]2CCC(NC(=O)c3cccc(C[NH+](C)C)c3)CC2)cc1 ZINC000076783790 1409891242 /nfs/dbraw/zinc/89/12/42/1409891242.db2.gz UZECNINKIOMZFB-UHFFFAOYSA-N 2 2 380.536 3.213 20 0 GGADLP CC(C)Oc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000077202969 1409894584 /nfs/dbraw/zinc/89/45/84/1409894584.db2.gz JOOBFYBGQMTDRQ-UHFFFAOYSA-N 2 2 380.508 3.103 20 0 GGADLP CC(C)Oc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000077202969 1409894585 /nfs/dbraw/zinc/89/45/85/1409894585.db2.gz JOOBFYBGQMTDRQ-UHFFFAOYSA-N 2 2 380.508 3.103 20 0 GGADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000079553577 1409981194 /nfs/dbraw/zinc/98/11/94/1409981194.db2.gz PUVFHJODKNGVCP-QUCCMNQESA-N 2 2 376.504 3.355 20 0 GGADLP Cc1cccn2cc(CC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000079553577 1409981205 /nfs/dbraw/zinc/98/12/05/1409981205.db2.gz PUVFHJODKNGVCP-QUCCMNQESA-N 2 2 376.504 3.355 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000080490323 1410006550 /nfs/dbraw/zinc/00/65/50/1410006550.db2.gz OZXKYKFCOUHFKZ-ROUUACIJSA-N 2 2 375.513 3.271 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000080490323 1410006558 /nfs/dbraw/zinc/00/65/58/1410006558.db2.gz OZXKYKFCOUHFKZ-ROUUACIJSA-N 2 2 375.513 3.271 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000080490330 1410006624 /nfs/dbraw/zinc/00/66/24/1410006624.db2.gz OZXKYKFCOUHFKZ-ZWKOTPCHSA-N 2 2 375.513 3.271 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1cccs1 ZINC000080490330 1410006634 /nfs/dbraw/zinc/00/66/34/1410006634.db2.gz OZXKYKFCOUHFKZ-ZWKOTPCHSA-N 2 2 375.513 3.271 20 0 GGADLP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969173 1410013455 /nfs/dbraw/zinc/01/34/55/1410013455.db2.gz UEVSBQXRTYMJHU-UHFFFAOYSA-N 2 2 375.520 3.406 20 0 GGADLP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000080969173 1410013466 /nfs/dbraw/zinc/01/34/66/1410013466.db2.gz UEVSBQXRTYMJHU-UHFFFAOYSA-N 2 2 375.520 3.406 20 0 GGADLP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000088684058 1410051089 /nfs/dbraw/zinc/05/10/89/1410051089.db2.gz VTAGETHBQXQPPZ-RDPSFJRHSA-N 2 2 379.548 3.444 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215296 1410052469 /nfs/dbraw/zinc/05/24/69/1410052469.db2.gz DBGSLCJLDNJWGY-XXBNENTESA-N 3 2 379.552 3.193 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089215296 1410052477 /nfs/dbraw/zinc/05/24/77/1410052477.db2.gz DBGSLCJLDNJWGY-XXBNENTESA-N 3 2 379.552 3.193 20 0 GGADLP C[N@H+](CCCO)C1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000089901887 1410057986 /nfs/dbraw/zinc/05/79/86/1410057986.db2.gz FSRFYWONQRPOAZ-UHFFFAOYSA-N 2 2 377.529 3.312 20 0 GGADLP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CC1 ZINC000089901887 1410057994 /nfs/dbraw/zinc/05/79/94/1410057994.db2.gz FSRFYWONQRPOAZ-UHFFFAOYSA-N 2 2 377.529 3.312 20 0 GGADLP Cc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000090004119 1410059715 /nfs/dbraw/zinc/05/97/15/1410059715.db2.gz YXGYDZAROQBOQX-WZONZLPQSA-N 2 2 380.536 3.251 20 0 GGADLP Cc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000090004119 1410059722 /nfs/dbraw/zinc/05/97/22/1410059722.db2.gz YXGYDZAROQBOQX-WZONZLPQSA-N 2 2 380.536 3.251 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000090004207 1410060169 /nfs/dbraw/zinc/06/01/69/1410060169.db2.gz WMLDSNNVUDKYLX-GOSISDBHSA-N 2 2 376.545 3.322 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000090004207 1410060180 /nfs/dbraw/zinc/06/01/80/1410060180.db2.gz WMLDSNNVUDKYLX-GOSISDBHSA-N 2 2 376.545 3.322 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000090004208 1410060443 /nfs/dbraw/zinc/06/04/43/1410060443.db2.gz WMLDSNNVUDKYLX-SFHVURJKSA-N 2 2 376.545 3.322 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000090004208 1410060450 /nfs/dbraw/zinc/06/04/50/1410060450.db2.gz WMLDSNNVUDKYLX-SFHVURJKSA-N 2 2 376.545 3.322 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000090115633 1410061825 /nfs/dbraw/zinc/06/18/25/1410061825.db2.gz JEKHAESBIZNADG-AUSIDOKSSA-N 2 2 377.532 3.477 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C(=O)N1c1ccccc1 ZINC000090115631 1410062051 /nfs/dbraw/zinc/06/20/51/1410062051.db2.gz JEKHAESBIZNADG-XXBNENTESA-N 2 2 377.532 3.477 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000090668033 1410066599 /nfs/dbraw/zinc/06/65/99/1410066599.db2.gz SSZRSDCJVNGODD-LJQANCHMSA-N 2 2 379.552 3.256 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1nc2ccc(Cl)cc2n1C ZINC000091343552 1410073409 /nfs/dbraw/zinc/07/34/09/1410073409.db2.gz GAZKCUWJHKUTDG-GJZGRUSLSA-N 2 2 376.932 3.378 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000091506730 1410073997 /nfs/dbraw/zinc/07/39/97/1410073997.db2.gz JRZRHFGPDUHKHL-NRFANRHFSA-N 2 2 379.548 3.114 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000091701927 1410076192 /nfs/dbraw/zinc/07/61/92/1410076192.db2.gz CASMMTWIXRYJNW-IBGZPJMESA-N 2 2 380.536 3.164 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccccn2)CC1 ZINC000091701927 1410076195 /nfs/dbraw/zinc/07/61/95/1410076195.db2.gz CASMMTWIXRYJNW-IBGZPJMESA-N 2 2 380.536 3.164 20 0 GGADLP C[C@H](c1ccccn1)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000091703361 1410077454 /nfs/dbraw/zinc/07/74/54/1410077454.db2.gz DPWGJQNNJVYRLN-QGZVFWFLSA-N 2 2 384.549 3.262 20 0 GGADLP C[C@H](c1ccccn1)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000091703361 1410077462 /nfs/dbraw/zinc/07/74/62/1410077462.db2.gz DPWGJQNNJVYRLN-QGZVFWFLSA-N 2 2 384.549 3.262 20 0 GGADLP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3nccn3C(F)F)CC2)c1C ZINC000091708297 1410078544 /nfs/dbraw/zinc/07/85/44/1410078544.db2.gz HAKQHUKAOIRHTG-UHFFFAOYSA-N 2 2 393.482 3.395 20 0 GGADLP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3nccn3C(F)F)CC2)c1C ZINC000091708297 1410078548 /nfs/dbraw/zinc/07/85/48/1410078548.db2.gz HAKQHUKAOIRHTG-UHFFFAOYSA-N 2 2 393.482 3.395 20 0 GGADLP Cn1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000092071362 1410104826 /nfs/dbraw/zinc/10/48/26/1410104826.db2.gz QRQZVKQDGHFKCT-KRWDZBQOSA-N 2 2 393.491 3.351 20 0 GGADLP Cn1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000092071362 1410104835 /nfs/dbraw/zinc/10/48/35/1410104835.db2.gz QRQZVKQDGHFKCT-KRWDZBQOSA-N 2 2 393.491 3.351 20 0 GGADLP CC(C)C[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000092404302 1410152014 /nfs/dbraw/zinc/15/20/14/1410152014.db2.gz VMWKLAXDZIZSHH-NHCUHLMSSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)C[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000092404302 1410152023 /nfs/dbraw/zinc/15/20/23/1410152023.db2.gz VMWKLAXDZIZSHH-NHCUHLMSSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)C[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC000092404299 1410152532 /nfs/dbraw/zinc/15/25/32/1410152532.db2.gz VMWKLAXDZIZSHH-LEWJYISDSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)C[NH+]1CCC(N[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC000092404299 1410152539 /nfs/dbraw/zinc/15/25/39/1410152539.db2.gz VMWKLAXDZIZSHH-LEWJYISDSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)C[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)CC1 ZINC000092404300 1410152574 /nfs/dbraw/zinc/15/25/74/1410152574.db2.gz VMWKLAXDZIZSHH-RTWAWAEBSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)C[NH+]1CCC(N[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC000092404300 1410152582 /nfs/dbraw/zinc/15/25/82/1410152582.db2.gz VMWKLAXDZIZSHH-RTWAWAEBSA-N 2 2 379.976 3.422 20 0 GGADLP Cc1[nH+]cc(CN2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1-c1ccccc1 ZINC000092665370 1410184742 /nfs/dbraw/zinc/18/47/42/1410184742.db2.gz OISFDVGGJJAQJA-PMACEKPBSA-N 2 2 381.568 3.171 20 0 GGADLP COc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1OC(F)F ZINC000092665406 1410184755 /nfs/dbraw/zinc/18/47/55/1410184755.db2.gz AZNLOCZLPGBSJZ-IRXDYDNUSA-N 2 2 397.510 3.287 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092666214 1410186510 /nfs/dbraw/zinc/18/65/10/1410186510.db2.gz CCYOBNMIAVTUNC-KDURUIRLSA-N 2 2 375.557 3.084 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092666214 1410186519 /nfs/dbraw/zinc/18/65/19/1410186519.db2.gz CCYOBNMIAVTUNC-KDURUIRLSA-N 2 2 375.557 3.084 20 0 GGADLP COCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668794 1410187046 /nfs/dbraw/zinc/18/70/46/1410187046.db2.gz STRPPXPGMBIPRE-QHCPKHFHSA-N 2 2 394.563 3.262 20 0 GGADLP COCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668794 1410187051 /nfs/dbraw/zinc/18/70/51/1410187051.db2.gz STRPPXPGMBIPRE-QHCPKHFHSA-N 2 2 394.563 3.262 20 0 GGADLP COc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000092668927 1410187355 /nfs/dbraw/zinc/18/73/55/1410187355.db2.gz ZQIIDQGQTOVXBQ-HXUWFJFHSA-N 2 2 380.536 3.124 20 0 GGADLP COc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000092668927 1410187370 /nfs/dbraw/zinc/18/73/70/1410187370.db2.gz ZQIIDQGQTOVXBQ-HXUWFJFHSA-N 2 2 380.536 3.124 20 0 GGADLP COCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668791 1410188108 /nfs/dbraw/zinc/18/81/08/1410188108.db2.gz STRPPXPGMBIPRE-HSZRJFAPSA-N 2 2 394.563 3.262 20 0 GGADLP COCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC000092668791 1410188116 /nfs/dbraw/zinc/18/81/16/1410188116.db2.gz STRPPXPGMBIPRE-HSZRJFAPSA-N 2 2 394.563 3.262 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CC(F)(F)F)c3ccc(F)cc3)cn2)CC1 ZINC000092850519 1410204987 /nfs/dbraw/zinc/20/49/87/1410204987.db2.gz SBSHBFZWTONFJD-KRWDZBQOSA-N 2 2 397.420 3.151 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](c3cccc(OC)c3)C2)CC1 ZINC000093080162 1410219787 /nfs/dbraw/zinc/21/97/87/1410219787.db2.gz KNRACIRQBIIWJT-DEOSSOPVSA-N 2 2 395.547 3.411 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](c3cccc(OC)c3)C2)CC1 ZINC000093080162 1410219794 /nfs/dbraw/zinc/21/97/94/1410219794.db2.gz KNRACIRQBIIWJT-DEOSSOPVSA-N 2 2 395.547 3.411 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccnc2)CC1 ZINC000093234251 1410227043 /nfs/dbraw/zinc/22/70/43/1410227043.db2.gz LCSCRGZOHUWCCR-IBGZPJMESA-N 2 2 380.536 3.164 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cccnc2)CC1 ZINC000093234251 1410227052 /nfs/dbraw/zinc/22/70/52/1410227052.db2.gz LCSCRGZOHUWCCR-IBGZPJMESA-N 2 2 380.536 3.164 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336906 1410235555 /nfs/dbraw/zinc/23/55/55/1410235555.db2.gz LNEZPCSTQVXGJV-NRFANRHFSA-N 2 2 395.547 3.108 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336906 1410235561 /nfs/dbraw/zinc/23/55/61/1410235561.db2.gz LNEZPCSTQVXGJV-NRFANRHFSA-N 2 2 395.547 3.108 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336906 1410235564 /nfs/dbraw/zinc/23/55/64/1410235564.db2.gz LNEZPCSTQVXGJV-NRFANRHFSA-N 2 2 395.547 3.108 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336906 1410235572 /nfs/dbraw/zinc/23/55/72/1410235572.db2.gz LNEZPCSTQVXGJV-NRFANRHFSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000093821211 1410271768 /nfs/dbraw/zinc/27/17/68/1410271768.db2.gz PTXKAGIHUXRGQK-QFIPXVFZSA-N 2 2 393.531 3.101 20 0 GGADLP COc1ccccc1-c1ccc(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cc1 ZINC000093821211 1410271783 /nfs/dbraw/zinc/27/17/83/1410271783.db2.gz PTXKAGIHUXRGQK-QFIPXVFZSA-N 2 2 393.531 3.101 20 0 GGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093821589 1410271864 /nfs/dbraw/zinc/27/18/64/1410271864.db2.gz FLNRIIACGYDBHD-MRXNPFEDSA-N 2 2 388.585 3.310 20 0 GGADLP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093821589 1410271875 /nfs/dbraw/zinc/27/18/75/1410271875.db2.gz FLNRIIACGYDBHD-MRXNPFEDSA-N 2 2 388.585 3.310 20 0 GGADLP CCOC(=O)c1c[nH+]c2ccccc2c1N1CCC(OCCC[NH+](C)C)CC1 ZINC000176815094 1428478338 /nfs/dbraw/zinc/47/83/38/1428478338.db2.gz OJEKZGQHTNKWEJ-UHFFFAOYSA-N 2 2 385.508 3.349 20 0 GGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(OC(F)F)c1 ZINC000098144492 1410433570 /nfs/dbraw/zinc/43/35/70/1410433570.db2.gz SGUDZLYENJZRBL-DNVCBOLYSA-N 2 2 376.447 3.358 20 0 GGADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(OC(F)F)c1 ZINC000098144492 1410433584 /nfs/dbraw/zinc/43/35/84/1410433584.db2.gz SGUDZLYENJZRBL-DNVCBOLYSA-N 2 2 376.447 3.358 20 0 GGADLP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000101660437 1410487274 /nfs/dbraw/zinc/48/72/74/1410487274.db2.gz WKGCNNUUGRJZHE-UHFFFAOYSA-N 2 2 397.523 3.343 20 0 GGADLP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000101669347 1410488571 /nfs/dbraw/zinc/48/85/71/1410488571.db2.gz UIQCFXFDILQCHQ-UHFFFAOYSA-N 2 2 375.904 3.016 20 0 GGADLP Cc1nc(-c2ccsc2)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000101861241 1410509889 /nfs/dbraw/zinc/50/98/89/1410509889.db2.gz OWOXLURJBGVGKP-UHFFFAOYSA-N 2 2 398.576 3.407 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccco1 ZINC000101999269 1410541158 /nfs/dbraw/zinc/54/11/58/1410541158.db2.gz SPSIWTXKPSAMFT-IBGZPJMESA-N 2 2 399.470 3.487 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2ccccc2-n2cc[nH+]c2)[NH+]2CCCC2)o1 ZINC000102037646 1410548566 /nfs/dbraw/zinc/54/85/66/1410548566.db2.gz NKTVIQFQQFIKMJ-FQEVSTJZSA-N 2 2 393.491 3.410 20 0 GGADLP COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000102782071 1410750493 /nfs/dbraw/zinc/75/04/93/1410750493.db2.gz UOBXFYCAQCFEIH-UHFFFAOYSA-N 2 2 382.508 3.107 20 0 GGADLP CC[N@H+](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000103191829 1410836430 /nfs/dbraw/zinc/83/64/30/1410836430.db2.gz JOPYRRUWDHRENY-XXBNENTESA-N 2 2 395.547 3.217 20 0 GGADLP CC[N@@H+](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000103191829 1410836431 /nfs/dbraw/zinc/83/64/31/1410836431.db2.gz JOPYRRUWDHRENY-XXBNENTESA-N 2 2 395.547 3.217 20 0 GGADLP CC[NH+](C)[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000103191829 1410836432 /nfs/dbraw/zinc/83/64/32/1410836432.db2.gz JOPYRRUWDHRENY-XXBNENTESA-N 2 2 395.547 3.217 20 0 GGADLP CC[NH+](C)[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccccc1 ZINC000103191829 1410836436 /nfs/dbraw/zinc/83/64/36/1410836436.db2.gz JOPYRRUWDHRENY-XXBNENTESA-N 2 2 395.547 3.217 20 0 GGADLP COc1ccc([C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+]2CCCC2)cc1 ZINC000103297715 1410843992 /nfs/dbraw/zinc/84/39/92/1410843992.db2.gz JIVKFSZWXOZHQU-NRFANRHFSA-N 2 2 397.523 3.075 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+]2CCCC2)cc1 ZINC000103311779 1410845983 /nfs/dbraw/zinc/84/59/83/1410845983.db2.gz MVTIDJBBNGOYSD-NRFANRHFSA-N 2 2 381.524 3.375 20 0 GGADLP Cc1ccc(C(C)(C)CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000103312119 1410846205 /nfs/dbraw/zinc/84/62/05/1410846205.db2.gz XPVRFBQIFZXZJW-UHFFFAOYSA-N 2 2 386.584 3.130 20 0 GGADLP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103311976 1410846441 /nfs/dbraw/zinc/84/64/41/1410846441.db2.gz UNOUVDSVUPLAOJ-QGZVFWFLSA-N 2 2 387.553 3.203 20 0 GGADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC(n2cc[nH+]c2)CC1 ZINC000103311976 1410846442 /nfs/dbraw/zinc/84/64/42/1410846442.db2.gz UNOUVDSVUPLAOJ-QGZVFWFLSA-N 2 2 387.553 3.203 20 0 GGADLP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@H+](C)Cc4ccccc43)cc2)C[C@H](C)O1 ZINC000103411320 1410854181 /nfs/dbraw/zinc/85/41/81/1410854181.db2.gz NEUZRLMAEPGWBT-OALUTQOASA-N 2 2 393.531 3.388 20 0 GGADLP C[C@H]1C[NH+](Cc2ccc(C(=O)N3CC[N@@H+](C)Cc4ccccc43)cc2)C[C@H](C)O1 ZINC000103411320 1410854184 /nfs/dbraw/zinc/85/41/84/1410854184.db2.gz NEUZRLMAEPGWBT-OALUTQOASA-N 2 2 393.531 3.388 20 0 GGADLP Cc1cc(C(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)n1C1CC1 ZINC000103481216 1410862447 /nfs/dbraw/zinc/86/24/47/1410862447.db2.gz CSYKVCJPWCJYOP-QZTJIDSGSA-N 2 2 387.568 3.444 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OCc4ccccn4)cc3)CC2)c1 ZINC000104720146 1410943459 /nfs/dbraw/zinc/94/34/59/1410943459.db2.gz APTZJMBJWJPDSX-UHFFFAOYSA-N 2 2 390.487 3.386 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000105083644 1411025817 /nfs/dbraw/zinc/02/58/17/1411025817.db2.gz XFAFREYVVLDREO-QGZVFWFLSA-N 2 2 387.553 3.472 20 0 GGADLP CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000105100265 1411028369 /nfs/dbraw/zinc/02/83/69/1411028369.db2.gz PYGAOYJFKGZTNO-IBGZPJMESA-N 2 2 380.964 3.459 20 0 GGADLP CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000105100265 1411028379 /nfs/dbraw/zinc/02/83/79/1411028379.db2.gz PYGAOYJFKGZTNO-IBGZPJMESA-N 2 2 380.964 3.459 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105103980 1411028938 /nfs/dbraw/zinc/02/89/38/1411028938.db2.gz IBELCYSIMSOUET-FQEVSTJZSA-N 2 2 385.556 3.232 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105105316 1411029338 /nfs/dbraw/zinc/02/93/38/1411029338.db2.gz JVJJRLXJFLYNDV-OAQYLSRUSA-N 2 2 395.551 3.134 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000105131625 1411032671 /nfs/dbraw/zinc/03/26/71/1411032671.db2.gz BWOQFEUDCGEUSS-HNNXBMFYSA-N 2 2 398.498 3.016 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(OC(F)F)c1 ZINC000105131625 1411032677 /nfs/dbraw/zinc/03/26/77/1411032677.db2.gz BWOQFEUDCGEUSS-HNNXBMFYSA-N 2 2 398.498 3.016 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000105131817 1411032732 /nfs/dbraw/zinc/03/27/32/1411032732.db2.gz ZBUMRNXIEZQNSE-OAHLLOKOSA-N 2 2 398.498 3.016 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000105131817 1411032742 /nfs/dbraw/zinc/03/27/42/1411032742.db2.gz ZBUMRNXIEZQNSE-OAHLLOKOSA-N 2 2 398.498 3.016 20 0 GGADLP C[C@H](CNC(=O)NCCCCNc1cccc[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000105150412 1411035303 /nfs/dbraw/zinc/03/53/03/1411035303.db2.gz HRKZRCJWFXAURE-MRXNPFEDSA-N 2 2 387.553 3.081 20 0 GGADLP C[C@H](CNC(=O)NCCCCNc1cccc[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000105150412 1411035306 /nfs/dbraw/zinc/03/53/06/1411035306.db2.gz HRKZRCJWFXAURE-MRXNPFEDSA-N 2 2 387.553 3.081 20 0 GGADLP Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105163186 1411036432 /nfs/dbraw/zinc/03/64/32/1411036432.db2.gz UCXFCWLXMDCZBQ-KRWDZBQOSA-N 2 2 386.540 3.470 20 0 GGADLP Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105163186 1411036442 /nfs/dbraw/zinc/03/64/42/1411036442.db2.gz UCXFCWLXMDCZBQ-KRWDZBQOSA-N 2 2 386.540 3.470 20 0 GGADLP COc1ccc([C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000105174580 1411038698 /nfs/dbraw/zinc/03/86/98/1411038698.db2.gz TZGKCGYDHHFHMT-QHCPKHFHSA-N 2 2 395.547 3.470 20 0 GGADLP COc1ccc([C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[NH+]2CCCCC2)cc1 ZINC000105174580 1411038710 /nfs/dbraw/zinc/03/87/10/1411038710.db2.gz TZGKCGYDHHFHMT-QHCPKHFHSA-N 2 2 395.547 3.470 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105190030 1411040108 /nfs/dbraw/zinc/04/01/08/1411040108.db2.gz SLSONCHQSOXOAJ-SFHVURJKSA-N 2 2 385.487 3.171 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000105242205 1411046578 /nfs/dbraw/zinc/04/65/78/1411046578.db2.gz BDNXQEKBSOWGBE-UHFFFAOYSA-N 2 2 394.991 3.285 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)c1ccccc1Cl ZINC000105242205 1411046586 /nfs/dbraw/zinc/04/65/86/1411046586.db2.gz BDNXQEKBSOWGBE-UHFFFAOYSA-N 2 2 394.991 3.285 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000105293991 1411051037 /nfs/dbraw/zinc/05/10/37/1411051037.db2.gz NNJVZVVJGDXQAW-ROUUACIJSA-N 2 2 388.556 3.292 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000105293991 1411051045 /nfs/dbraw/zinc/05/10/45/1411051045.db2.gz NNJVZVVJGDXQAW-ROUUACIJSA-N 2 2 388.556 3.292 20 0 GGADLP CCn1nc(C)c(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000105420549 1411064805 /nfs/dbraw/zinc/06/48/05/1411064805.db2.gz HPRWHSPEJPTKOX-UHFFFAOYSA-N 2 2 383.584 3.207 20 0 GGADLP COc1ccc(OC)c(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000105463044 1411069207 /nfs/dbraw/zinc/06/92/07/1411069207.db2.gz HOJXMJGTBJSCLD-INIZCTEOSA-N 2 2 387.499 3.446 20 0 GGADLP C[C@H]([NH2+]Cc1nc2ccccc2n1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000105462728 1411069464 /nfs/dbraw/zinc/06/94/64/1411069464.db2.gz ZQQSFULXUCIZBZ-INIZCTEOSA-N 2 2 381.499 3.315 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000105475146 1411070996 /nfs/dbraw/zinc/07/09/96/1411070996.db2.gz KZIWTUMNHALAES-HNNXBMFYSA-N 2 2 398.532 3.233 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C1 ZINC000105475146 1411071006 /nfs/dbraw/zinc/07/10/06/1411071006.db2.gz KZIWTUMNHALAES-HNNXBMFYSA-N 2 2 398.532 3.233 20 0 GGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000106213959 1411180669 /nfs/dbraw/zinc/18/06/69/1411180669.db2.gz MRYDIFNUQIZNNE-WMZOPIPTSA-N 2 2 398.507 3.271 20 0 GGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)C1 ZINC000106213959 1411180684 /nfs/dbraw/zinc/18/06/84/1411180684.db2.gz MRYDIFNUQIZNNE-WMZOPIPTSA-N 2 2 398.507 3.271 20 0 GGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2CCCc3cc(OC)ccc32)C1 ZINC000106214498 1411181314 /nfs/dbraw/zinc/18/13/14/1411181314.db2.gz AKGAJYXWXJOBHI-SFHVURJKSA-N 2 2 382.508 3.070 20 0 GGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2CCCc3cc(OC)ccc32)C1 ZINC000106214498 1411181326 /nfs/dbraw/zinc/18/13/26/1411181326.db2.gz AKGAJYXWXJOBHI-SFHVURJKSA-N 2 2 382.508 3.070 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC000106575112 1411252222 /nfs/dbraw/zinc/25/22/22/1411252222.db2.gz ZEYJBGZHYKWHOA-OAHLLOKOSA-N 2 2 395.617 3.169 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1nc(C(C)(C)C)cs1 ZINC000106575112 1411252244 /nfs/dbraw/zinc/25/22/44/1411252244.db2.gz ZEYJBGZHYKWHOA-OAHLLOKOSA-N 2 2 395.617 3.169 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)nn(-c4ccccc4)c3Cl)C2)CC1 ZINC000107371791 1411365853 /nfs/dbraw/zinc/36/58/53/1411365853.db2.gz ATLWALYLJHLZKY-IBGZPJMESA-N 2 2 387.959 3.046 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)nn(-c4ccccc4)c3Cl)C2)CC1 ZINC000107371791 1411365860 /nfs/dbraw/zinc/36/58/60/1411365860.db2.gz ATLWALYLJHLZKY-IBGZPJMESA-N 2 2 387.959 3.046 20 0 GGADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371591 1411366092 /nfs/dbraw/zinc/36/60/92/1411366092.db2.gz IDVIBODHVDBJEV-UFYCRDLUSA-N 2 2 386.584 3.239 20 0 GGADLP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107371591 1411366099 /nfs/dbraw/zinc/36/60/99/1411366099.db2.gz IDVIBODHVDBJEV-UFYCRDLUSA-N 2 2 386.584 3.239 20 0 GGADLP Cc1ccc(-n2cc(C[NH2+]CCC[NH+]3CCC(O)CC3)c(C(C)(C)C)n2)cc1 ZINC000177092044 1428585197 /nfs/dbraw/zinc/58/51/97/1428585197.db2.gz HVAVEXJNVUZMDR-UHFFFAOYSA-N 2 2 384.568 3.415 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c(F)cccc2N2CCCC2)nc[nH+]1 ZINC000109069880 1411674690 /nfs/dbraw/zinc/67/46/90/1411674690.db2.gz JWRGIRQTTRTPLK-MRXNPFEDSA-N 2 2 384.503 3.016 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)nc[nH+]1 ZINC000109069907 1411674755 /nfs/dbraw/zinc/67/47/55/1411674755.db2.gz NPQHEXSWKSIFCQ-QGZVFWFLSA-N 2 2 397.914 3.320 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(Br)cc2)nc[nH+]1 ZINC000109069802 1411674811 /nfs/dbraw/zinc/67/48/11/1411674811.db2.gz MGZJIWGTWWHGHM-OAHLLOKOSA-N 2 2 376.302 3.039 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)nc[nH+]1 ZINC000109070156 1411675588 /nfs/dbraw/zinc/67/55/88/1411675588.db2.gz SXDMURRLSKMUCK-HNNXBMFYSA-N 2 2 395.429 3.218 20 0 GGADLP CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109796747 1411810933 /nfs/dbraw/zinc/81/09/33/1411810933.db2.gz YNRGQVAEMHXFCJ-KRWDZBQOSA-N 2 2 397.523 3.029 20 0 GGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@H+](Cc4ccc5c(c4)CCO5)C3)CC2)nc1 ZINC000109835219 1411812608 /nfs/dbraw/zinc/81/26/08/1411812608.db2.gz RRWMYPIYYURKQO-NRFANRHFSA-N 2 2 392.547 3.051 20 0 GGADLP c1ccc(N2CC[NH+](C[C@@H]3CCC[N@@H+](Cc4ccc5c(c4)CCO5)C3)CC2)nc1 ZINC000109835219 1411812609 /nfs/dbraw/zinc/81/26/09/1411812609.db2.gz RRWMYPIYYURKQO-NRFANRHFSA-N 2 2 392.547 3.051 20 0 GGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@H+](Cc4ccc5c(c4)CCO5)C3)CC2)nc1 ZINC000109835222 1411812687 /nfs/dbraw/zinc/81/26/87/1411812687.db2.gz RRWMYPIYYURKQO-OAQYLSRUSA-N 2 2 392.547 3.051 20 0 GGADLP c1ccc(N2CC[NH+](C[C@H]3CCC[N@@H+](Cc4ccc5c(c4)CCO5)C3)CC2)nc1 ZINC000109835222 1411812688 /nfs/dbraw/zinc/81/26/88/1411812688.db2.gz RRWMYPIYYURKQO-OAQYLSRUSA-N 2 2 392.547 3.051 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000110123742 1411832667 /nfs/dbraw/zinc/83/26/67/1411832667.db2.gz VYPJTCLCQKWRQG-GOSISDBHSA-N 2 2 383.540 3.139 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000110123742 1411832668 /nfs/dbraw/zinc/83/26/68/1411832668.db2.gz VYPJTCLCQKWRQG-GOSISDBHSA-N 2 2 383.540 3.139 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000110123739 1411832826 /nfs/dbraw/zinc/83/28/26/1411832826.db2.gz VYPJTCLCQKWRQG-SFHVURJKSA-N 2 2 383.540 3.139 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000110123739 1411832827 /nfs/dbraw/zinc/83/28/27/1411832827.db2.gz VYPJTCLCQKWRQG-SFHVURJKSA-N 2 2 383.540 3.139 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccsc1 ZINC000110203118 1411837355 /nfs/dbraw/zinc/83/73/55/1411837355.db2.gz VQTGMAWDPXXBHO-WMZOPIPTSA-N 2 2 389.569 3.242 20 0 GGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000110429939 1411850355 /nfs/dbraw/zinc/85/03/55/1411850355.db2.gz ACALFFOARNSVHY-HOTGVXAUSA-N 2 2 393.959 3.408 20 0 GGADLP C[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110624096 1411860818 /nfs/dbraw/zinc/86/08/18/1411860818.db2.gz CJEOZRIUGWTBHQ-LJQANCHMSA-N 2 2 394.563 3.221 20 0 GGADLP C[C@@H](C(=O)N1CCC(n2cc[nH+]c2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000110675279 1411863436 /nfs/dbraw/zinc/86/34/36/1411863436.db2.gz ZMKISPWYPTZZHO-IBGZPJMESA-N 2 2 380.536 3.390 20 0 GGADLP COc1cc2[nH+]c(NC[C@@H](c3ccco3)[NH+]3CCCCC3)nc(N)c2cc1OC ZINC000110676798 1411863681 /nfs/dbraw/zinc/86/36/81/1411863681.db2.gz XIAAULODXQKGPW-INIZCTEOSA-N 2 2 397.479 3.461 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)NCc1ccccc1OC1CCCC1 ZINC000111243888 1411897458 /nfs/dbraw/zinc/89/74/58/1411897458.db2.gz PLMPBYNYEJYYQA-UHFFFAOYSA-N 2 2 382.508 3.158 20 0 GGADLP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CCC(n5cc[nH+]c5)CC4)nc(N)c32)C1 ZINC000111244444 1411897602 /nfs/dbraw/zinc/89/76/02/1411897602.db2.gz HNCPWBORVJWPSF-CQSZACIVSA-N 2 2 396.564 3.474 20 0 GGADLP CCOc1ccc([C@H]2CCCN2C(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243019 1411897612 /nfs/dbraw/zinc/89/76/12/1411897612.db2.gz FOPIVADAPNZKKF-OAQYLSRUSA-N 2 2 382.508 3.282 20 0 GGADLP CCCCOC(=O)c1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000111243810 1411897618 /nfs/dbraw/zinc/89/76/18/1411897618.db2.gz JYDXYRMWDLSNDY-UHFFFAOYSA-N 2 2 384.480 3.116 20 0 GGADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000111448625 1411957909 /nfs/dbraw/zinc/95/79/09/1411957909.db2.gz VEQGCYJXURAKNH-SFHVURJKSA-N 2 2 387.572 3.382 20 0 GGADLP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000111448625 1411957916 /nfs/dbraw/zinc/95/79/16/1411957916.db2.gz VEQGCYJXURAKNH-SFHVURJKSA-N 2 2 387.572 3.382 20 0 GGADLP C[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@H+](C)Cc1ccccc1 ZINC000111465740 1411968882 /nfs/dbraw/zinc/96/88/82/1411968882.db2.gz ARMQBGMPILLGAO-IBGZPJMESA-N 2 2 391.519 3.251 20 0 GGADLP C[C@@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[N@@H+](C)Cc1ccccc1 ZINC000111465740 1411968899 /nfs/dbraw/zinc/96/88/99/1411968899.db2.gz ARMQBGMPILLGAO-IBGZPJMESA-N 2 2 391.519 3.251 20 0 GGADLP O=C(NCCCCC[NH+]1CCCCC1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000111465717 1411970527 /nfs/dbraw/zinc/97/05/27/1411970527.db2.gz BRRSITDWMVRWOJ-UHFFFAOYSA-N 2 2 383.540 3.387 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000111478138 1411975991 /nfs/dbraw/zinc/97/59/91/1411975991.db2.gz IPTOTWRKDNWOFF-KRWDZBQOSA-N 2 2 395.482 3.331 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000111478138 1411976045 /nfs/dbraw/zinc/97/60/45/1411976045.db2.gz IPTOTWRKDNWOFF-KRWDZBQOSA-N 2 2 395.482 3.331 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@H+](C)Cc1ccccc1 ZINC000111476683 1411976521 /nfs/dbraw/zinc/97/65/21/1411976521.db2.gz OIPSMHATWKIPKJ-SFHVURJKSA-N 2 2 377.492 3.192 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@@H+](C)Cc1ccccc1 ZINC000111476683 1411976534 /nfs/dbraw/zinc/97/65/34/1411976534.db2.gz OIPSMHATWKIPKJ-SFHVURJKSA-N 2 2 377.492 3.192 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111563546 1411991920 /nfs/dbraw/zinc/99/19/20/1411991920.db2.gz VLEXRDLRNGXHGZ-KRWDZBQOSA-N 2 2 384.499 3.037 20 0 GGADLP CC(C)[NH2+]C1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000111727668 1412018927 /nfs/dbraw/zinc/01/89/27/1412018927.db2.gz MUIMTCVCYSUEIF-QZTJIDSGSA-N 2 2 388.556 3.290 20 0 GGADLP CC(C)[NH2+]C1CCN(C(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000111727664 1412019199 /nfs/dbraw/zinc/01/91/99/1412019199.db2.gz MUIMTCVCYSUEIF-HDICACEKSA-N 2 2 388.556 3.290 20 0 GGADLP CC(C)[NH2+]C1CCN(C(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000111727664 1412019206 /nfs/dbraw/zinc/01/92/06/1412019206.db2.gz MUIMTCVCYSUEIF-HDICACEKSA-N 2 2 388.556 3.290 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177190016 1428623219 /nfs/dbraw/zinc/62/32/19/1428623219.db2.gz IBMNHMKEFZHANF-UHFFFAOYSA-N 2 2 385.512 3.195 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000177190016 1428623229 /nfs/dbraw/zinc/62/32/29/1428623229.db2.gz IBMNHMKEFZHANF-UHFFFAOYSA-N 2 2 385.512 3.195 20 0 GGADLP CCCC[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000112464766 1412150642 /nfs/dbraw/zinc/15/06/42/1412150642.db2.gz JLUWRZFAMAIDDU-QZTJIDSGSA-N 2 2 376.545 3.149 20 0 GGADLP CCCC[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000112464766 1412150648 /nfs/dbraw/zinc/15/06/48/1412150648.db2.gz JLUWRZFAMAIDDU-QZTJIDSGSA-N 2 2 376.545 3.149 20 0 GGADLP CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000112547783 1412167017 /nfs/dbraw/zinc/16/70/17/1412167017.db2.gz GICFQKYUOSCSBX-UXHICEINSA-N 2 2 381.524 3.023 20 0 GGADLP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177206599 1428631538 /nfs/dbraw/zinc/63/15/38/1428631538.db2.gz KFGKMNFKJYWSER-KGVIQGDOSA-N 2 2 396.535 3.106 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(Cn2cc[nH+]c2)c1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000177208034 1428632434 /nfs/dbraw/zinc/63/24/34/1428632434.db2.gz SREYAFKRHAPJDQ-QGZVFWFLSA-N 2 2 398.532 3.033 20 0 GGADLP CC(C)c1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000112921476 1412241767 /nfs/dbraw/zinc/24/17/67/1412241767.db2.gz FZEROLIVBJUATK-UHFFFAOYSA-N 2 2 382.552 3.456 20 0 GGADLP CC(C)c1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc2n1 ZINC000112921476 1412241773 /nfs/dbraw/zinc/24/17/73/1412241773.db2.gz FZEROLIVBJUATK-UHFFFAOYSA-N 2 2 382.552 3.456 20 0 GGADLP Cc1ccc(OCc2nc(C[NH2+]CCCCN3CC[NH+](C)CC3)cs2)cc1 ZINC000113321494 1412292536 /nfs/dbraw/zinc/29/25/36/1412292536.db2.gz VDILANNHNCDTRW-UHFFFAOYSA-N 2 2 388.581 3.148 20 0 GGADLP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000113407395 1412304152 /nfs/dbraw/zinc/30/41/52/1412304152.db2.gz BCRCNJYIPUSKEQ-FQEVSTJZSA-N 2 2 383.540 3.038 20 0 GGADLP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000113407395 1412304157 /nfs/dbraw/zinc/30/41/57/1412304157.db2.gz BCRCNJYIPUSKEQ-FQEVSTJZSA-N 2 2 383.540 3.038 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000113514851 1412310973 /nfs/dbraw/zinc/31/09/73/1412310973.db2.gz OIUIEXFAXKSVRO-HSZRJFAPSA-N 2 2 379.548 3.141 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000113514851 1412310978 /nfs/dbraw/zinc/31/09/78/1412310978.db2.gz OIUIEXFAXKSVRO-HSZRJFAPSA-N 2 2 379.548 3.141 20 0 GGADLP CN(C(=O)NCCCNc1cccc[nH+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113594721 1412319526 /nfs/dbraw/zinc/31/95/26/1412319526.db2.gz ZZHZSOXMDHGJJX-UHFFFAOYSA-N 2 2 381.524 3.190 20 0 GGADLP C[N@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200364 1412393662 /nfs/dbraw/zinc/39/36/62/1412393662.db2.gz HASVYDSQAARZTK-UHFFFAOYSA-N 2 2 396.922 3.444 20 0 GGADLP C[N@@H+](Cc1cc(=O)n2cc(Cl)ccc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114200364 1412393667 /nfs/dbraw/zinc/39/36/67/1412393667.db2.gz HASVYDSQAARZTK-UHFFFAOYSA-N 2 2 396.922 3.444 20 0 GGADLP Cc1ccc(-n2cc[nH+]c2)c(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)c1 ZINC000114250939 1412397854 /nfs/dbraw/zinc/39/78/54/1412397854.db2.gz AEJQCLJFNVMNNZ-UHFFFAOYSA-N 2 2 391.475 3.323 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000114454208 1412435826 /nfs/dbraw/zinc/43/58/26/1412435826.db2.gz ADLJEHTWFOTNLA-UHFFFAOYSA-N 2 2 387.446 3.006 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000114454208 1412435829 /nfs/dbraw/zinc/43/58/29/1412435829.db2.gz ADLJEHTWFOTNLA-UHFFFAOYSA-N 2 2 387.446 3.006 20 0 GGADLP C[N@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481013 1412442052 /nfs/dbraw/zinc/44/20/52/1412442052.db2.gz NMRMWOORMUWHOG-UHFFFAOYSA-N 2 2 376.504 3.062 20 0 GGADLP C[N@@H+](CCc1nc2ccccc2c(=O)[nH]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000114481013 1412442058 /nfs/dbraw/zinc/44/20/58/1412442058.db2.gz NMRMWOORMUWHOG-UHFFFAOYSA-N 2 2 376.504 3.062 20 0 GGADLP CCOc1ccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114481224 1412443159 /nfs/dbraw/zinc/44/31/59/1412443159.db2.gz KTOXVPLAVWSDGL-QFIPXVFZSA-N 2 2 398.547 3.421 20 0 GGADLP CCOc1ccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000114481224 1412443166 /nfs/dbraw/zinc/44/31/66/1412443166.db2.gz KTOXVPLAVWSDGL-QFIPXVFZSA-N 2 2 398.547 3.421 20 0 GGADLP CC[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000114593131 1412470033 /nfs/dbraw/zinc/47/00/33/1412470033.db2.gz AVAPNLFPBQKFNV-JOCHJYFZSA-N 2 2 384.568 3.264 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000114786633 1412523753 /nfs/dbraw/zinc/52/37/53/1412523753.db2.gz YGKUJEANFILHAL-OAQYLSRUSA-N 2 2 389.503 3.336 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000114786633 1412523756 /nfs/dbraw/zinc/52/37/56/1412523756.db2.gz YGKUJEANFILHAL-OAQYLSRUSA-N 2 2 389.503 3.336 20 0 GGADLP COc1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000177255707 1428655956 /nfs/dbraw/zinc/65/59/56/1428655956.db2.gz DXYZYFHZPVLUQB-UHFFFAOYSA-N 2 2 396.535 3.058 20 0 GGADLP COc1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000177255707 1428655962 /nfs/dbraw/zinc/65/59/62/1428655962.db2.gz DXYZYFHZPVLUQB-UHFFFAOYSA-N 2 2 396.535 3.058 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)CC(C)C ZINC000114821423 1412533596 /nfs/dbraw/zinc/53/35/96/1412533596.db2.gz NESYAGZPKZDRKV-CTNGQTDRSA-N 2 2 389.588 3.226 20 0 GGADLP CC(=O)c1ccccc1OCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258654 1428657550 /nfs/dbraw/zinc/65/75/50/1428657550.db2.gz PIJNSMPRKFSEHW-UHFFFAOYSA-N 2 2 381.520 3.302 20 0 GGADLP CC(=O)c1ccccc1OCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177258654 1428657553 /nfs/dbraw/zinc/65/75/53/1428657553.db2.gz PIJNSMPRKFSEHW-UHFFFAOYSA-N 2 2 381.520 3.302 20 0 GGADLP COc1cccc(NC(=O)CC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177259610 1428657986 /nfs/dbraw/zinc/65/79/86/1428657986.db2.gz JWFLGQZDHKSROS-UHFFFAOYSA-N 2 2 396.535 3.058 20 0 GGADLP COc1cccc(NC(=O)CC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000177259610 1428658000 /nfs/dbraw/zinc/65/80/00/1428658000.db2.gz JWFLGQZDHKSROS-UHFFFAOYSA-N 2 2 396.535 3.058 20 0 GGADLP C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000115554160 1412708371 /nfs/dbraw/zinc/70/83/71/1412708371.db2.gz CBZFFFRDKMLHAN-KNQAVFIVSA-N 2 2 393.531 3.335 20 0 GGADLP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000115554160 1412708382 /nfs/dbraw/zinc/70/83/82/1412708382.db2.gz CBZFFFRDKMLHAN-KNQAVFIVSA-N 2 2 393.531 3.335 20 0 GGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC000115615269 1412734844 /nfs/dbraw/zinc/73/48/44/1412734844.db2.gz JPOOFHRNJCDKGP-HXUWFJFHSA-N 2 2 387.499 3.426 20 0 GGADLP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)o1 ZINC000115615269 1412734850 /nfs/dbraw/zinc/73/48/50/1412734850.db2.gz JPOOFHRNJCDKGP-HXUWFJFHSA-N 2 2 387.499 3.426 20 0 GGADLP Cc1[nH+]ccn1CCCC(=O)N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000115957917 1412817910 /nfs/dbraw/zinc/81/79/10/1412817910.db2.gz NDPQSCQIDUIPBM-UHFFFAOYSA-N 2 2 394.441 3.335 20 0 GGADLP Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000116324554 1412849835 /nfs/dbraw/zinc/84/98/35/1412849835.db2.gz GIODVEFAFVXTSO-FQEVSTJZSA-N 2 2 375.582 3.074 20 0 GGADLP Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000116324554 1412849837 /nfs/dbraw/zinc/84/98/37/1412849837.db2.gz GIODVEFAFVXTSO-FQEVSTJZSA-N 2 2 375.582 3.074 20 0 GGADLP C[NH+](C)CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(C)(C)C ZINC000116419884 1412857154 /nfs/dbraw/zinc/85/71/54/1412857154.db2.gz JXAGBUSBYUKKIV-GOSISDBHSA-N 2 2 375.561 3.238 20 0 GGADLP C[NH+](C)CC[C@H](NC(=O)NCCc1[nH+]ccn1Cc1ccccc1)C(C)(C)C ZINC000116421155 1412857496 /nfs/dbraw/zinc/85/74/96/1412857496.db2.gz NKJAIKUAKWXZAS-IBGZPJMESA-N 2 2 385.556 3.140 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCNc2cccc[nH+]2)CC1 ZINC000116434979 1412859712 /nfs/dbraw/zinc/85/97/12/1412859712.db2.gz XZGRMEJMWROSTB-GOSISDBHSA-N 2 2 381.524 3.408 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000116436099 1412859889 /nfs/dbraw/zinc/85/98/89/1412859889.db2.gz NQEPRQVDJTZAAF-LJQANCHMSA-N 2 2 393.535 3.139 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H](C(C)(C)C)CC3)CC2)CC1 ZINC000116540472 1412874708 /nfs/dbraw/zinc/87/47/08/1412874708.db2.gz QPVMQIGIBODHHF-GOSISDBHSA-N 2 2 378.605 3.403 20 0 GGADLP COc1cccc([C@H](CNC(=O)c2cccc(-n3cc[nH+]c3)c2)[NH+]2CCCC2)c1 ZINC000117744651 1413074008 /nfs/dbraw/zinc/07/40/08/1413074008.db2.gz OYARDSNGSYURSR-QFIPXVFZSA-N 2 2 390.487 3.448 20 0 GGADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC000117759400 1413077219 /nfs/dbraw/zinc/07/72/19/1413077219.db2.gz NNZRSMJRPWGOEZ-OAQYLSRUSA-N 2 2 382.508 3.015 20 0 GGADLP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC000117759400 1413077230 /nfs/dbraw/zinc/07/72/30/1413077230.db2.gz NNZRSMJRPWGOEZ-OAQYLSRUSA-N 2 2 382.508 3.015 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117785796 1413078567 /nfs/dbraw/zinc/07/85/67/1413078567.db2.gz XMFCHEAZILPBJK-SFHVURJKSA-N 2 2 398.526 3.079 20 0 GGADLP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000117785798 1413078723 /nfs/dbraw/zinc/07/87/23/1413078723.db2.gz XMFCHEAZILPBJK-GOSISDBHSA-N 2 2 398.526 3.079 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000177380603 1428711480 /nfs/dbraw/zinc/71/14/80/1428711480.db2.gz TUASBLIPXPTEDA-WIYYLYMNSA-N 2 2 389.503 3.335 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000177380603 1428711487 /nfs/dbraw/zinc/71/14/87/1428711487.db2.gz TUASBLIPXPTEDA-WIYYLYMNSA-N 2 2 389.503 3.335 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)c(OC)c1 ZINC000119011109 1413303738 /nfs/dbraw/zinc/30/37/38/1413303738.db2.gz ODIDHVHTTZIYHW-IAGOWNOFSA-N 2 2 377.529 3.131 20 0 GGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119065300 1413322421 /nfs/dbraw/zinc/32/24/21/1413322421.db2.gz OCGKZLQNZSHSSD-GBESFXJTSA-N 2 2 375.561 3.086 20 0 GGADLP CCCCCC[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119065888 1413323525 /nfs/dbraw/zinc/32/35/25/1413323525.db2.gz SVJXDMUBKNILQS-MOPGFXCFSA-N 2 2 375.561 3.231 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000119116344 1413342936 /nfs/dbraw/zinc/34/29/36/1413342936.db2.gz GWQSPTJUYQQAMZ-UTKZUKDTSA-N 2 2 387.549 3.373 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000119116344 1413342943 /nfs/dbraw/zinc/34/29/43/1413342943.db2.gz GWQSPTJUYQQAMZ-UTKZUKDTSA-N 2 2 387.549 3.373 20 0 GGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(C)c1 ZINC000119299399 1413403084 /nfs/dbraw/zinc/40/30/84/1413403084.db2.gz MVCKMHOMXDDSQS-DENIHFKCSA-N 2 2 395.547 3.029 20 0 GGADLP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)c(C)c1 ZINC000119299399 1413403089 /nfs/dbraw/zinc/40/30/89/1413403089.db2.gz MVCKMHOMXDDSQS-DENIHFKCSA-N 2 2 395.547 3.029 20 0 GGADLP C[N@H+](Cc1cnc(N2CCOCC2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119311776 1413407870 /nfs/dbraw/zinc/40/78/70/1413407870.db2.gz COFPITALZGPRQP-UHFFFAOYSA-N 2 2 386.565 3.076 20 0 GGADLP C[N@@H+](Cc1cnc(N2CCOCC2)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119311776 1413407876 /nfs/dbraw/zinc/40/78/76/1413407876.db2.gz COFPITALZGPRQP-UHFFFAOYSA-N 2 2 386.565 3.076 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000119318984 1413410522 /nfs/dbraw/zinc/41/05/22/1413410522.db2.gz XOXUQVRKKMJBFS-UHFFFAOYSA-N 2 2 398.551 3.159 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000119318984 1413410526 /nfs/dbraw/zinc/41/05/26/1413410526.db2.gz XOXUQVRKKMJBFS-UHFFFAOYSA-N 2 2 398.551 3.159 20 0 GGADLP FC(F)(F)c1cccc(N2CC[NH+](CCC[NH2+]Cc3cccnc3)CC2)c1 ZINC000119321659 1413411831 /nfs/dbraw/zinc/41/18/31/1413411831.db2.gz SBCLZSQPWBJONU-UHFFFAOYSA-N 2 2 378.442 3.402 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000119340521 1413417248 /nfs/dbraw/zinc/41/72/48/1413417248.db2.gz FKIAXKLISKNUEW-MRXNPFEDSA-N 2 2 378.586 3.399 20 0 GGADLP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119557796 1413485463 /nfs/dbraw/zinc/48/54/63/1413485463.db2.gz LBYGLNFIXYSADT-UYAOXDASSA-N 2 2 380.536 3.035 20 0 GGADLP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119557796 1413485466 /nfs/dbraw/zinc/48/54/66/1413485466.db2.gz LBYGLNFIXYSADT-UYAOXDASSA-N 2 2 380.536 3.035 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000119676651 1413527462 /nfs/dbraw/zinc/52/74/62/1413527462.db2.gz NNXBEDLJVRQNKI-SFHVURJKSA-N 2 2 389.588 3.306 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000119772569 1413563526 /nfs/dbraw/zinc/56/35/26/1413563526.db2.gz MHYCENMULBZCDK-INIZCTEOSA-N 2 2 394.441 3.055 20 0 GGADLP C[C@@H](CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[N@H+](C)Cc1ccccc1 ZINC000119782493 1413567596 /nfs/dbraw/zinc/56/75/96/1413567596.db2.gz PTTMFNBDIGMGKY-PZJWPPBQSA-N 2 2 397.567 3.295 20 0 GGADLP C[C@@H](CCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000119782493 1413567604 /nfs/dbraw/zinc/56/76/04/1413567604.db2.gz PTTMFNBDIGMGKY-PZJWPPBQSA-N 2 2 397.567 3.295 20 0 GGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000119888864 1413606608 /nfs/dbraw/zinc/60/66/08/1413606608.db2.gz VRLOBECSJFASGE-FGZHOGPDSA-N 2 2 398.547 3.034 20 0 GGADLP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000119888864 1413606615 /nfs/dbraw/zinc/60/66/15/1413606615.db2.gz VRLOBECSJFASGE-FGZHOGPDSA-N 2 2 398.547 3.034 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000119950100 1413629387 /nfs/dbraw/zinc/62/93/87/1413629387.db2.gz AHNFEGCAVDEDTL-SIKLNZKXSA-N 2 2 392.547 3.243 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000119950100 1413629390 /nfs/dbraw/zinc/62/93/90/1413629390.db2.gz AHNFEGCAVDEDTL-SIKLNZKXSA-N 2 2 392.547 3.243 20 0 GGADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000120048592 1413667186 /nfs/dbraw/zinc/66/71/86/1413667186.db2.gz SHRHHKGTDGUDHG-FQEVSTJZSA-N 2 2 387.959 3.332 20 0 GGADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000120048592 1413667193 /nfs/dbraw/zinc/66/71/93/1413667193.db2.gz SHRHHKGTDGUDHG-FQEVSTJZSA-N 2 2 387.959 3.332 20 0 GGADLP CC(C)N(C)c1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000120115470 1413693971 /nfs/dbraw/zinc/69/39/71/1413693971.db2.gz NTMRJARMEJSWPM-UHFFFAOYSA-N 2 2 387.572 3.211 20 0 GGADLP CC(C)Cc1ccc(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000120175877 1413718631 /nfs/dbraw/zinc/71/86/31/1413718631.db2.gz JVUYQVQCUURANO-UHFFFAOYSA-N 2 2 385.596 3.493 20 0 GGADLP CC[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000120179814 1413720602 /nfs/dbraw/zinc/72/06/02/1413720602.db2.gz AIZYOWLMTYLPEP-GOSISDBHSA-N 2 2 387.568 3.254 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1 ZINC000120190519 1413724674 /nfs/dbraw/zinc/72/46/74/1413724674.db2.gz SFSPDIIPHFIHJA-UHFFFAOYSA-N 2 2 391.494 3.324 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc4nc(C5CC5)oc4c3)CC2)CC1 ZINC000120244935 1413748760 /nfs/dbraw/zinc/74/87/60/1413748760.db2.gz DREOKEXIKKLIQL-UHFFFAOYSA-N 2 2 397.523 3.385 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000120336728 1413792525 /nfs/dbraw/zinc/79/25/25/1413792525.db2.gz YOKVPDXRNQZCCE-IBGZPJMESA-N 2 2 398.576 3.064 20 0 GGADLP CC[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120673956 1413871670 /nfs/dbraw/zinc/87/16/70/1413871670.db2.gz NNUFHEFXVWDJHJ-UGKGYDQZSA-N 2 2 387.568 3.036 20 0 GGADLP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120673956 1413871672 /nfs/dbraw/zinc/87/16/72/1413871672.db2.gz NNUFHEFXVWDJHJ-UGKGYDQZSA-N 2 2 387.568 3.036 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)CC1 ZINC000177486569 1428763355 /nfs/dbraw/zinc/76/33/55/1428763355.db2.gz JEJIGCPEGTYUTI-QGZVFWFLSA-N 2 2 384.524 3.041 20 0 GGADLP Cc1cc(N2CC[NH+]([C@@H](C(N)=O)c3ccccc3)CC2)c2cc(F)ccc2[nH+]1 ZINC000120788812 1413903162 /nfs/dbraw/zinc/90/31/62/1413903162.db2.gz VQAQASROJFKXHX-OAQYLSRUSA-N 2 2 378.451 3.031 20 0 GGADLP CSc1ccc(NC(=O)[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000177491178 1428766441 /nfs/dbraw/zinc/76/64/41/1428766441.db2.gz VJQRBOWDUJKJQA-INIZCTEOSA-N 2 2 379.570 3.215 20 0 GGADLP Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177492148 1428766865 /nfs/dbraw/zinc/76/68/65/1428766865.db2.gz XHBLYBSSQAUPOX-MOPGFXCFSA-N 2 2 375.557 3.040 20 0 GGADLP Cc1coc(-c2ccc(C)c(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)n1 ZINC000120888552 1413938587 /nfs/dbraw/zinc/93/85/87/1413938587.db2.gz PZLNAIKPJOQXCF-UHFFFAOYSA-N 2 2 399.539 3.448 20 0 GGADLP Cc1coc(-c2ccc(C)c(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)n1 ZINC000120888552 1413938590 /nfs/dbraw/zinc/93/85/90/1413938590.db2.gz PZLNAIKPJOQXCF-UHFFFAOYSA-N 2 2 399.539 3.448 20 0 GGADLP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)Nc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000177493032 1428767254 /nfs/dbraw/zinc/76/72/54/1428767254.db2.gz JFTKSDIISHIJHB-HOTGVXAUSA-N 2 2 395.494 3.115 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000120909975 1413944914 /nfs/dbraw/zinc/94/49/14/1413944914.db2.gz MEPZDUITWIDETH-UHFFFAOYSA-N 2 2 379.508 3.280 20 0 GGADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3noc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000177505192 1428773408 /nfs/dbraw/zinc/77/34/08/1428773408.db2.gz SKSJBSAFLFHDGW-ROUUACIJSA-N 2 2 384.524 3.448 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000121401415 1414109029 /nfs/dbraw/zinc/10/90/29/1414109029.db2.gz ZQPKPUVBQHNZTC-NRFANRHFSA-N 2 2 389.503 3.247 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cn1 ZINC000121401415 1414109034 /nfs/dbraw/zinc/10/90/34/1414109034.db2.gz ZQPKPUVBQHNZTC-NRFANRHFSA-N 2 2 389.503 3.247 20 0 GGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121452084 1414129526 /nfs/dbraw/zinc/12/95/26/1414129526.db2.gz CBTDLWMBMWUWQO-QUCCMNQESA-N 2 2 396.510 3.137 20 0 GGADLP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121452084 1414129538 /nfs/dbraw/zinc/12/95/38/1414129538.db2.gz CBTDLWMBMWUWQO-QUCCMNQESA-N 2 2 396.510 3.137 20 0 GGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121452245 1414129579 /nfs/dbraw/zinc/12/95/79/1414129579.db2.gz CBTDLWMBMWUWQO-ICSRJNTNSA-N 2 2 396.510 3.137 20 0 GGADLP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121452245 1414129587 /nfs/dbraw/zinc/12/95/87/1414129587.db2.gz CBTDLWMBMWUWQO-ICSRJNTNSA-N 2 2 396.510 3.137 20 0 GGADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000177542810 1428787288 /nfs/dbraw/zinc/78/72/88/1428787288.db2.gz OFQRYEKSKQMZLW-XXBNENTESA-N 2 2 393.531 3.335 20 0 GGADLP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000177542810 1428787290 /nfs/dbraw/zinc/78/72/90/1428787290.db2.gz OFQRYEKSKQMZLW-XXBNENTESA-N 2 2 393.531 3.335 20 0 GGADLP Cc1cccc2nc(C[N@@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc(=O)n12 ZINC000121626374 1414205310 /nfs/dbraw/zinc/20/53/10/1414205310.db2.gz VJFBFDXLLVEBRQ-UHFFFAOYSA-N 2 2 376.504 3.099 20 0 GGADLP Cc1cccc2nc(C[N@H+](C)C3CC[NH+](Cc4ccccc4)CC3)cc(=O)n12 ZINC000121626374 1414205315 /nfs/dbraw/zinc/20/53/15/1414205315.db2.gz VJFBFDXLLVEBRQ-UHFFFAOYSA-N 2 2 376.504 3.099 20 0 GGADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121635538 1414208000 /nfs/dbraw/zinc/20/80/00/1414208000.db2.gz VEJAPGHCFGIWQV-UHFFFAOYSA-N 2 2 395.569 3.144 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(OCC[NH+](C)C)cc3)cn2c1 ZINC000121702578 1414229390 /nfs/dbraw/zinc/22/93/90/1414229390.db2.gz ATOYNYKREFDKMJ-UHFFFAOYSA-N 2 2 398.532 3.455 20 0 GGADLP Cc1cc(N2CC[NH+](Cc3ccc(-n4cncn4)c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000121729099 1414238550 /nfs/dbraw/zinc/23/85/50/1414238550.db2.gz WCUYFVBFGINNBI-UHFFFAOYSA-N 2 2 391.523 3.120 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000121753639 1414246876 /nfs/dbraw/zinc/24/68/76/1414246876.db2.gz YYSVDRSYZTXPOW-GHTZIAJQSA-N 2 2 393.535 3.144 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000121753639 1414246883 /nfs/dbraw/zinc/24/68/83/1414246883.db2.gz YYSVDRSYZTXPOW-GHTZIAJQSA-N 2 2 393.535 3.144 20 0 GGADLP Cc1c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cccc1-c1ccccn1 ZINC000122062081 1414352844 /nfs/dbraw/zinc/35/28/44/1414352844.db2.gz YYKKAIPGRZBBBE-UHFFFAOYSA-N 2 2 392.547 3.345 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccccc3OCC3CC3)CC2)CC1 ZINC000122080754 1414358171 /nfs/dbraw/zinc/35/81/71/1414358171.db2.gz UZQFNBDZCWHJOD-UHFFFAOYSA-N 2 2 386.540 3.156 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)cc1F ZINC000122208428 1414388906 /nfs/dbraw/zinc/38/89/06/1414388906.db2.gz HLXGWRYSHVQOEI-HNNXBMFYSA-N 2 2 387.480 3.272 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000122229095 1414394621 /nfs/dbraw/zinc/39/46/21/1414394621.db2.gz BBRBHWKNDWTBFV-INIZCTEOSA-N 2 2 396.963 3.132 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000122229095 1414394624 /nfs/dbraw/zinc/39/46/24/1414394624.db2.gz BBRBHWKNDWTBFV-INIZCTEOSA-N 2 2 396.963 3.132 20 0 GGADLP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000122341006 1414428327 /nfs/dbraw/zinc/42/83/27/1414428327.db2.gz GSDIYROFHXYXSC-LJQANCHMSA-N 2 2 387.572 3.383 20 0 GGADLP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000122341006 1414428332 /nfs/dbraw/zinc/42/83/32/1414428332.db2.gz GSDIYROFHXYXSC-LJQANCHMSA-N 2 2 387.572 3.383 20 0 GGADLP C[C@H]1CCC[N@H+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000122341163 1414428525 /nfs/dbraw/zinc/42/85/25/1414428525.db2.gz GSDIYROFHXYXSC-IBGZPJMESA-N 2 2 387.572 3.383 20 0 GGADLP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000122341163 1414428528 /nfs/dbraw/zinc/42/85/28/1414428528.db2.gz GSDIYROFHXYXSC-IBGZPJMESA-N 2 2 387.572 3.383 20 0 GGADLP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000122367854 1414437094 /nfs/dbraw/zinc/43/70/94/1414437094.db2.gz MXXSHUHGECBWNG-JOCHJYFZSA-N 2 2 389.584 3.003 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122787002 1414565085 /nfs/dbraw/zinc/56/50/85/1414565085.db2.gz AFFQKKKRGYRUQR-MRXNPFEDSA-N 2 2 390.524 3.328 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000122787002 1414565090 /nfs/dbraw/zinc/56/50/90/1414565090.db2.gz AFFQKKKRGYRUQR-MRXNPFEDSA-N 2 2 390.524 3.328 20 0 GGADLP Cc1nc(-c2cccs2)sc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000122961421 1414606585 /nfs/dbraw/zinc/60/65/85/1414606585.db2.gz FDXUFRRVRIDRRP-UHFFFAOYSA-N 2 2 392.594 3.278 20 0 GGADLP Cc1nc(-c2cccs2)sc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122961421 1414606590 /nfs/dbraw/zinc/60/65/90/1414606590.db2.gz FDXUFRRVRIDRRP-UHFFFAOYSA-N 2 2 392.594 3.278 20 0 GGADLP Cc1c2cccc(Cl)c2oc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000122986561 1414613636 /nfs/dbraw/zinc/61/36/36/1414613636.db2.gz YAMKPJXXVBKJJU-UHFFFAOYSA-N 2 2 377.916 3.493 20 0 GGADLP Cc1c2cccc(Cl)c2oc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000122986561 1414613638 /nfs/dbraw/zinc/61/36/38/1414613638.db2.gz YAMKPJXXVBKJJU-UHFFFAOYSA-N 2 2 377.916 3.493 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177649835 1428822676 /nfs/dbraw/zinc/82/26/76/1428822676.db2.gz UGYAYHXVQYFIJY-ROUUACIJSA-N 2 2 391.519 3.290 20 0 GGADLP C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000123337916 1414699727 /nfs/dbraw/zinc/69/97/27/1414699727.db2.gz JMBWKSICVPYWJS-ZDUSSCGKSA-N 2 2 392.425 3.043 20 0 GGADLP C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000123338146 1414699795 /nfs/dbraw/zinc/69/97/95/1414699795.db2.gz JMBWKSICVPYWJS-CYBMUJFWSA-N 2 2 392.425 3.043 20 0 GGADLP C[NH+](C)CCCC1CC[NH+](Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000123344794 1414701686 /nfs/dbraw/zinc/70/16/86/1414701686.db2.gz BYXBMICGOYLIID-UHFFFAOYSA-N 2 2 396.461 3.235 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123555362 1414773215 /nfs/dbraw/zinc/77/32/15/1414773215.db2.gz FTPHAGOMPOVHMK-LSDHHAIUSA-N 2 2 392.450 3.303 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123555362 1414773219 /nfs/dbraw/zinc/77/32/19/1414773219.db2.gz FTPHAGOMPOVHMK-LSDHHAIUSA-N 2 2 392.450 3.303 20 0 GGADLP CN(C(=O)c1ccnc(Cl)c1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000123643475 1414802611 /nfs/dbraw/zinc/80/26/11/1414802611.db2.gz LUJQXVVAIMPQCM-IRXDYDNUSA-N 2 2 396.938 3.283 20 0 GGADLP CN(C(=O)c1ccnc(Cl)c1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000123643475 1414802613 /nfs/dbraw/zinc/80/26/13/1414802613.db2.gz LUJQXVVAIMPQCM-IRXDYDNUSA-N 2 2 396.938 3.283 20 0 GGADLP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123719801 1414814936 /nfs/dbraw/zinc/81/49/36/1414814936.db2.gz DGADDGVPKHHMEK-LSDHHAIUSA-N 2 2 383.521 3.312 20 0 GGADLP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123719801 1414814938 /nfs/dbraw/zinc/81/49/38/1414814938.db2.gz DGADDGVPKHHMEK-LSDHHAIUSA-N 2 2 383.521 3.312 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCc3cc(-c4ccccc4)oc3C2)CC1 ZINC000177721423 1428842335 /nfs/dbraw/zinc/84/23/35/1428842335.db2.gz URSIJFFYWHCHDL-UHFFFAOYSA-N 2 2 381.520 3.294 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCc3cc(-c4ccccc4)oc3C2)CC1 ZINC000177721423 1428842338 /nfs/dbraw/zinc/84/23/38/1428842338.db2.gz URSIJFFYWHCHDL-UHFFFAOYSA-N 2 2 381.520 3.294 20 0 GGADLP C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000177738237 1428846676 /nfs/dbraw/zinc/84/66/76/1428846676.db2.gz KTYMCRNJOACIEK-RXVVDRJESA-N 2 2 381.524 3.272 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124285841 1414929660 /nfs/dbraw/zinc/92/96/60/1414929660.db2.gz UDIXVEXZZWGOIL-GOSISDBHSA-N 2 2 380.496 3.035 20 0 GGADLP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124285841 1414929666 /nfs/dbraw/zinc/92/96/66/1414929666.db2.gz UDIXVEXZZWGOIL-GOSISDBHSA-N 2 2 380.496 3.035 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124340025 1414943254 /nfs/dbraw/zinc/94/32/54/1414943254.db2.gz TUWOPWAITLFSCV-PZJWPPBQSA-N 2 2 397.567 3.230 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000124340025 1414943260 /nfs/dbraw/zinc/94/32/60/1414943260.db2.gz TUWOPWAITLFSCV-PZJWPPBQSA-N 2 2 397.567 3.230 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000124340600 1414943627 /nfs/dbraw/zinc/94/36/27/1414943627.db2.gz XNIYGJYKSCOWDF-FQEVSTJZSA-N 2 2 387.572 3.239 20 0 GGADLP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000124340600 1414943633 /nfs/dbraw/zinc/94/36/33/1414943633.db2.gz XNIYGJYKSCOWDF-FQEVSTJZSA-N 2 2 387.572 3.239 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000124340410 1414943680 /nfs/dbraw/zinc/94/36/80/1414943680.db2.gz XNIYGJYKSCOWDF-HXUWFJFHSA-N 2 2 387.572 3.239 20 0 GGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000124340410 1414943687 /nfs/dbraw/zinc/94/36/87/1414943687.db2.gz XNIYGJYKSCOWDF-HXUWFJFHSA-N 2 2 387.572 3.239 20 0 GGADLP O=C(C[NH2+][C@H]1CCCC[C@H]1C(F)(F)F)Nc1nc(C[NH+]2CCCC2)cs1 ZINC000124357654 1414948182 /nfs/dbraw/zinc/94/81/82/1414948182.db2.gz YGYOTUGZFHZALF-KGLIPLIRSA-N 2 2 390.475 3.388 20 0 GGADLP COc1ccc2oc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c(C)c2c1 ZINC000124401475 1414958674 /nfs/dbraw/zinc/95/86/74/1414958674.db2.gz VGJCRGIQCNLXKV-UHFFFAOYSA-N 2 2 385.508 3.038 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000124456955 1414972715 /nfs/dbraw/zinc/97/27/15/1414972715.db2.gz XCNWFFXKLWJNIF-WMZOPIPTSA-N 2 2 376.570 3.153 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000124456955 1414972719 /nfs/dbraw/zinc/97/27/19/1414972719.db2.gz XCNWFFXKLWJNIF-WMZOPIPTSA-N 2 2 376.570 3.153 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000124456741 1414972765 /nfs/dbraw/zinc/97/27/65/1414972765.db2.gz XCNWFFXKLWJNIF-SJLPKXTDSA-N 2 2 376.570 3.153 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000124456741 1414972767 /nfs/dbraw/zinc/97/27/67/1414972767.db2.gz XCNWFFXKLWJNIF-SJLPKXTDSA-N 2 2 376.570 3.153 20 0 GGADLP Cc1cccc(OCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124518057 1414985679 /nfs/dbraw/zinc/98/56/79/1414985679.db2.gz RAKKLMWAXGTTJJ-FGZHOGPDSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1cccc(OCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124518057 1414985684 /nfs/dbraw/zinc/98/56/84/1414985684.db2.gz RAKKLMWAXGTTJJ-FGZHOGPDSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1cccc(OCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124517803 1414985775 /nfs/dbraw/zinc/98/57/75/1414985775.db2.gz RAKKLMWAXGTTJJ-VXKWHMMOSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1cccc(OCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124517803 1414985780 /nfs/dbraw/zinc/98/57/80/1414985780.db2.gz RAKKLMWAXGTTJJ-VXKWHMMOSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1cccc(OCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124518280 1414985932 /nfs/dbraw/zinc/98/59/32/1414985932.db2.gz RAKKLMWAXGTTJJ-YADHBBJMSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1cccc(OCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124518280 1414985936 /nfs/dbraw/zinc/98/59/36/1414985936.db2.gz RAKKLMWAXGTTJJ-YADHBBJMSA-N 2 2 387.568 3.169 20 0 GGADLP CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124524889 1414987072 /nfs/dbraw/zinc/98/70/72/1414987072.db2.gz PYOSGBNMIZUXOO-VXKWHMMOSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124524889 1414987075 /nfs/dbraw/zinc/98/70/75/1414987075.db2.gz PYOSGBNMIZUXOO-VXKWHMMOSA-N 2 2 387.568 3.495 20 0 GGADLP Cc1cccc2nc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@H+](C)C3CC[NH+](C)CC3)cn21 ZINC000124568927 1414996304 /nfs/dbraw/zinc/99/63/04/1414996304.db2.gz HHNWSIUAXKULQY-NHCUHLMSSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1cccc2nc(C(=O)N(C)[C@@H]3CCCC[C@H]3[N@@H+](C)C3CC[NH+](C)CC3)cn21 ZINC000124568927 1414996306 /nfs/dbraw/zinc/99/63/06/1414996306.db2.gz HHNWSIUAXKULQY-NHCUHLMSSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1ncc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124586186 1415000017 /nfs/dbraw/zinc/00/00/17/1415000017.db2.gz LHDDNUQAVWBNQR-ILXKITPQSA-N 2 2 390.597 3.260 20 0 GGADLP Cc1ncc(/C=C/C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124586186 1415000022 /nfs/dbraw/zinc/00/00/22/1415000022.db2.gz LHDDNUQAVWBNQR-ILXKITPQSA-N 2 2 390.597 3.260 20 0 GGADLP CC(=O)c1csc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124588170 1415000545 /nfs/dbraw/zinc/00/05/45/1415000545.db2.gz SMJWAFDTCMFVGX-RBUKOAKNSA-N 2 2 391.581 3.360 20 0 GGADLP CC(=O)c1csc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124588170 1415000552 /nfs/dbraw/zinc/00/05/52/1415000552.db2.gz SMJWAFDTCMFVGX-RBUKOAKNSA-N 2 2 391.581 3.360 20 0 GGADLP Cc1[nH+]cc(CNc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)n1-c1ccccc1 ZINC000124611220 1415005762 /nfs/dbraw/zinc/00/57/62/1415005762.db2.gz HTLLRPPPIOFJJW-UHFFFAOYSA-N 2 2 391.475 3.262 20 0 GGADLP CN(C(=O)Cc1noc2ccccc21)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124651476 1415014126 /nfs/dbraw/zinc/01/41/26/1415014126.db2.gz DWKWODWJKREEJD-SFTDATJTSA-N 2 2 398.551 3.166 20 0 GGADLP CN(C(=O)Cc1noc2ccccc21)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124651476 1415014132 /nfs/dbraw/zinc/01/41/32/1415014132.db2.gz DWKWODWJKREEJD-SFTDATJTSA-N 2 2 398.551 3.166 20 0 GGADLP CN(C(=O)CCCc1ccccn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124685652 1415021411 /nfs/dbraw/zinc/02/14/11/1415021411.db2.gz KRDWHHUNYXXSAI-VXKWHMMOSA-N 2 2 386.584 3.200 20 0 GGADLP CN(C(=O)CCCc1ccccn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124685652 1415021418 /nfs/dbraw/zinc/02/14/18/1415021418.db2.gz KRDWHHUNYXXSAI-VXKWHMMOSA-N 2 2 386.584 3.200 20 0 GGADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124689491 1415022052 /nfs/dbraw/zinc/02/20/52/1415022052.db2.gz AFSIZQKIMIZHAJ-UXHICEINSA-N 2 2 389.588 3.047 20 0 GGADLP CN(C(=O)c1cnn(C(C)(C)C)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124689491 1415022060 /nfs/dbraw/zinc/02/20/60/1415022060.db2.gz AFSIZQKIMIZHAJ-UXHICEINSA-N 2 2 389.588 3.047 20 0 GGADLP C[C@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000124696039 1415023755 /nfs/dbraw/zinc/02/37/55/1415023755.db2.gz OCCYGKUGMQIMRA-FQEVSTJZSA-N 2 2 390.535 3.130 20 0 GGADLP Cc1nc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124704670 1415025640 /nfs/dbraw/zinc/02/56/40/1415025640.db2.gz LGRKNPQKDIJXII-VQTJNVASSA-N 2 2 392.613 3.098 20 0 GGADLP Cc1nc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)s1 ZINC000124704670 1415025644 /nfs/dbraw/zinc/02/56/44/1415025644.db2.gz LGRKNPQKDIJXII-VQTJNVASSA-N 2 2 392.613 3.098 20 0 GGADLP COc1ccsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124721001 1415029188 /nfs/dbraw/zinc/02/91/88/1415029188.db2.gz OUEMJMNFMALEPI-IRXDYDNUSA-N 2 2 379.570 3.166 20 0 GGADLP COc1ccsc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124721001 1415029191 /nfs/dbraw/zinc/02/91/91/1415029191.db2.gz OUEMJMNFMALEPI-IRXDYDNUSA-N 2 2 379.570 3.166 20 0 GGADLP CN(C(=O)[C@H]1OCCc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124799307 1415046472 /nfs/dbraw/zinc/04/64/72/1415046472.db2.gz VUAOMQPPLVKQIR-VJBWXMMDSA-N 2 2 399.579 3.096 20 0 GGADLP CN(C(=O)[C@H]1OCCc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124799307 1415046481 /nfs/dbraw/zinc/04/64/81/1415046481.db2.gz VUAOMQPPLVKQIR-VJBWXMMDSA-N 2 2 399.579 3.096 20 0 GGADLP CN(C(=O)c1ccc2nccnc2c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124819153 1415051596 /nfs/dbraw/zinc/05/15/96/1415051596.db2.gz NCAVXKCNRWKVHW-YADHBBJMSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1ccc2nccnc2c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124819153 1415051601 /nfs/dbraw/zinc/05/16/01/1415051601.db2.gz NCAVXKCNRWKVHW-YADHBBJMSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1ccc2nccnc2c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124819395 1415052099 /nfs/dbraw/zinc/05/20/99/1415052099.db2.gz NCAVXKCNRWKVHW-VXKWHMMOSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1ccc2nccnc2c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124819395 1415052106 /nfs/dbraw/zinc/05/21/06/1415052106.db2.gz NCAVXKCNRWKVHW-VXKWHMMOSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124821259 1415052227 /nfs/dbraw/zinc/05/22/27/1415052227.db2.gz MFPDCABKPAZQDB-MOPGFXCFSA-N 2 2 389.588 3.116 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124821259 1415052232 /nfs/dbraw/zinc/05/22/32/1415052232.db2.gz MFPDCABKPAZQDB-MOPGFXCFSA-N 2 2 389.588 3.116 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124820533 1415052329 /nfs/dbraw/zinc/05/23/29/1415052329.db2.gz MFPDCABKPAZQDB-RBUKOAKNSA-N 2 2 389.588 3.116 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)n[nH]1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124820533 1415052334 /nfs/dbraw/zinc/05/23/34/1415052334.db2.gz MFPDCABKPAZQDB-RBUKOAKNSA-N 2 2 389.588 3.116 20 0 GGADLP CN(C(=O)CCOc1ccccc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124856143 1415060071 /nfs/dbraw/zinc/06/00/71/1415060071.db2.gz YKECFJLTNKCVGE-YADHBBJMSA-N 2 2 387.568 3.251 20 0 GGADLP CN(C(=O)CCOc1ccccc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124856143 1415060074 /nfs/dbraw/zinc/06/00/74/1415060074.db2.gz YKECFJLTNKCVGE-YADHBBJMSA-N 2 2 387.568 3.251 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)NCc1ccn2cc[nH+]c2c1 ZINC000177780723 1428856981 /nfs/dbraw/zinc/85/69/81/1428856981.db2.gz FMTGARFEJXDUJK-UHFFFAOYSA-N 2 2 385.899 3.261 20 0 GGADLP C[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000125188976 1415127081 /nfs/dbraw/zinc/12/70/81/1415127081.db2.gz IYWJTEVHUUMWLZ-INIZCTEOSA-N 2 2 377.960 3.193 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000125338846 1415168477 /nfs/dbraw/zinc/16/84/77/1415168477.db2.gz QANOGZWZQBKFKB-NQIIRXRSSA-N 2 2 379.508 3.031 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000125338846 1415168486 /nfs/dbraw/zinc/16/84/86/1415168486.db2.gz QANOGZWZQBKFKB-NQIIRXRSSA-N 2 2 379.508 3.031 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125339054 1415169065 /nfs/dbraw/zinc/16/90/65/1415169065.db2.gz QANOGZWZQBKFKB-GHTZIAJQSA-N 2 2 379.508 3.031 20 0 GGADLP O=C(NCc1ccccc1-n1cc[nH+]c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000125339054 1415169072 /nfs/dbraw/zinc/16/90/72/1415169072.db2.gz QANOGZWZQBKFKB-GHTZIAJQSA-N 2 2 379.508 3.031 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000125402743 1415188427 /nfs/dbraw/zinc/18/84/27/1415188427.db2.gz PRAOXFROKMJXBE-GOSISDBHSA-N 2 2 387.503 3.179 20 0 GGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000125402743 1415188437 /nfs/dbraw/zinc/18/84/37/1415188437.db2.gz PRAOXFROKMJXBE-GOSISDBHSA-N 2 2 387.503 3.179 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000177851157 1428873062 /nfs/dbraw/zinc/87/30/62/1428873062.db2.gz CTPKGPGXVADQFE-CRAIPNDOSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2C)[C@H](C)C1 ZINC000177851157 1428873064 /nfs/dbraw/zinc/87/30/64/1428873064.db2.gz CTPKGPGXVADQFE-CRAIPNDOSA-N 2 2 381.948 3.314 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000125498892 1415214721 /nfs/dbraw/zinc/21/47/21/1415214721.db2.gz XEVCYNKJLMCWJR-RXVVDRJESA-N 2 2 379.508 3.031 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000125498892 1415214728 /nfs/dbraw/zinc/21/47/28/1415214728.db2.gz XEVCYNKJLMCWJR-RXVVDRJESA-N 2 2 379.508 3.031 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000125560460 1415226920 /nfs/dbraw/zinc/22/69/20/1415226920.db2.gz TXVRWEVPHICKCN-LJQANCHMSA-N 2 2 398.551 3.389 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)CN(c3ccccc3)C2=O)CC1 ZINC000125560460 1415226924 /nfs/dbraw/zinc/22/69/24/1415226924.db2.gz TXVRWEVPHICKCN-LJQANCHMSA-N 2 2 398.551 3.389 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000177896682 1428886452 /nfs/dbraw/zinc/88/64/52/1428886452.db2.gz HBLVMGRMDPKHEN-IBGZPJMESA-N 2 2 395.551 3.180 20 0 GGADLP c1ccc2c(c1)-c1ccccc1C2[NH+]1CCN(CCC[NH+]2CCOCC2)CC1 ZINC000125800696 1415284408 /nfs/dbraw/zinc/28/44/08/1415284408.db2.gz JZGPONQFMOVEJW-UHFFFAOYSA-N 2 2 377.532 3.096 20 0 GGADLP C[N@@H+]1CCN(CCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000125831882 1415292611 /nfs/dbraw/zinc/29/26/11/1415292611.db2.gz DYFKWFNXTXERBT-GOTSBHOMSA-N 2 2 389.547 3.468 20 0 GGADLP C[N@H+]1CCN(CCC[NH2+][C@H](c2ncc[nH]2)c2ccccc2)[C@H](c2ccccc2)C1 ZINC000125831882 1415292613 /nfs/dbraw/zinc/29/26/13/1415292613.db2.gz DYFKWFNXTXERBT-GOTSBHOMSA-N 2 2 389.547 3.468 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000125838366 1415294090 /nfs/dbraw/zinc/29/40/90/1415294090.db2.gz SXKGOUGXAIMIIJ-OAQYLSRUSA-N 2 2 377.492 3.034 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000177956744 1428899825 /nfs/dbraw/zinc/89/98/25/1428899825.db2.gz KPUPJHLJNPLIDV-KRWDZBQOSA-N 2 2 377.492 3.359 20 0 GGADLP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)o1 ZINC000126023362 1415338668 /nfs/dbraw/zinc/33/86/68/1415338668.db2.gz LLYYJYHXUCFAEJ-UHFFFAOYSA-N 2 2 399.539 3.247 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000126298853 1415409691 /nfs/dbraw/zinc/40/96/91/1415409691.db2.gz KKXXFLRYZOTELO-UHFFFAOYSA-N 2 2 386.584 3.342 20 0 GGADLP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1OC ZINC000126383846 1415432295 /nfs/dbraw/zinc/43/22/95/1415432295.db2.gz DGUSZQPPXPCJJZ-MRXNPFEDSA-N 2 2 396.491 3.460 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)cn1 ZINC000126386041 1415433638 /nfs/dbraw/zinc/43/36/38/1415433638.db2.gz QRKJKRJAEDJIAP-HNNXBMFYSA-N 2 2 377.448 3.383 20 0 GGADLP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000178002570 1428927455 /nfs/dbraw/zinc/92/74/55/1428927455.db2.gz SCCPERYPKBIDIE-HNNXBMFYSA-N 2 2 375.538 3.322 20 0 GGADLP CC(C)(C)c1ncc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)s1 ZINC000126745056 1415545095 /nfs/dbraw/zinc/54/50/95/1415545095.db2.gz MDJXWTMKLWIMMN-UHFFFAOYSA-N 2 2 389.565 3.441 20 0 GGADLP CC(C)Oc1cccc(C[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000126746896 1415545925 /nfs/dbraw/zinc/54/59/25/1415545925.db2.gz WJLXBWBJAVBFHD-UHFFFAOYSA-N 2 2 384.520 3.475 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000127196261 1415683651 /nfs/dbraw/zinc/68/36/51/1415683651.db2.gz IMPVLMSQKKVXCI-LJQANCHMSA-N 2 2 381.524 3.190 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCCNc1cccc[nH+]1 ZINC000127196261 1415683655 /nfs/dbraw/zinc/68/36/55/1415683655.db2.gz IMPVLMSQKKVXCI-LJQANCHMSA-N 2 2 381.524 3.190 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000127234037 1415697410 /nfs/dbraw/zinc/69/74/10/1415697410.db2.gz ZZLMUZCNPUWBEJ-SFHVURJKSA-N 3 2 388.575 3.493 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000127355360 1415749128 /nfs/dbraw/zinc/74/91/28/1415749128.db2.gz ODNGCAZNJXACSG-HNNXBMFYSA-N 2 2 386.525 3.072 20 0 GGADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cc1 ZINC000127486074 1415798837 /nfs/dbraw/zinc/79/88/37/1415798837.db2.gz JLAZJMXRAIGBCX-HNNXBMFYSA-N 2 2 378.948 3.259 20 0 GGADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000127484629 1415798896 /nfs/dbraw/zinc/79/88/96/1415798896.db2.gz VZHSQWBKMPSFOF-NRFANRHFSA-N 2 2 388.556 3.004 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000127536800 1415806538 /nfs/dbraw/zinc/80/65/38/1415806538.db2.gz VIRXOOXCKULQBD-FQEVSTJZSA-N 2 2 389.503 3.182 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+](Cc2ccc(NCc3ccc(-n4cc[nH+]c4)cc3)cc2)C1 ZINC000127536800 1415806539 /nfs/dbraw/zinc/80/65/39/1415806539.db2.gz VIRXOOXCKULQBD-FQEVSTJZSA-N 2 2 389.503 3.182 20 0 GGADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000178200019 1429016795 /nfs/dbraw/zinc/01/67/95/1429016795.db2.gz IWEYCVDVKACSAD-HZPDHXFCSA-N 2 2 384.505 3.192 20 0 GGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000128099559 1415912640 /nfs/dbraw/zinc/91/26/40/1415912640.db2.gz KSBOLYXIWHOACF-NRFANRHFSA-N 2 2 393.535 3.146 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[NH+]2CCCC2)cc1 ZINC000128150472 1415925325 /nfs/dbraw/zinc/92/53/25/1415925325.db2.gz WAXJQIMQKMDGMD-NHCUHLMSSA-N 2 2 393.535 3.105 20 0 GGADLP CC1(C)C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c2ccccc21 ZINC000178248962 1429032198 /nfs/dbraw/zinc/03/21/98/1429032198.db2.gz NZCUYCSWEPTOKT-FQEVSTJZSA-N 2 2 378.520 3.133 20 0 GGADLP CCCOc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000178249478 1429032729 /nfs/dbraw/zinc/03/27/29/1429032729.db2.gz OUOBOFAZJWSNMF-LJQANCHMSA-N 2 2 396.535 3.260 20 0 GGADLP CCCOc1ccc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000178249492 1429033022 /nfs/dbraw/zinc/03/30/22/1429033022.db2.gz OUOBOFAZJWSNMF-IBGZPJMESA-N 2 2 396.535 3.260 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000128602299 1416022587 /nfs/dbraw/zinc/02/25/87/1416022587.db2.gz XXPXONJRUUNKCO-CVDCTZTESA-N 2 2 392.547 3.204 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(CN2CCCC2=O)cc1 ZINC000128602299 1416022593 /nfs/dbraw/zinc/02/25/93/1416022593.db2.gz XXPXONJRUUNKCO-CVDCTZTESA-N 2 2 392.547 3.204 20 0 GGADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc(F)ccc1F ZINC000128691808 1416044344 /nfs/dbraw/zinc/04/43/44/1416044344.db2.gz PMLVRRSOJPOGHU-LJQANCHMSA-N 2 2 388.462 3.139 20 0 GGADLP O=C(CC[NH2+][C@@H]1CCC[C@H]1c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000128706295 1416047696 /nfs/dbraw/zinc/04/76/96/1416047696.db2.gz YSWNVSWSVQZBAW-LEWJYISDSA-N 2 2 378.520 3.046 20 0 GGADLP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000178316753 1429050733 /nfs/dbraw/zinc/05/07/33/1429050733.db2.gz SRWIHNJRUCKKIP-VXKWHMMOSA-N 2 2 393.535 3.285 20 0 GGADLP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000128730325 1416053632 /nfs/dbraw/zinc/05/36/32/1416053632.db2.gz MFJUHSWWAGEAKQ-NRFANRHFSA-N 2 2 398.526 3.116 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)c(Cl)c1 ZINC000128737310 1416055690 /nfs/dbraw/zinc/05/56/90/1416055690.db2.gz NANRFKZLERMSFP-OAHLLOKOSA-N 2 2 390.890 3.264 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cnc2ccsc2c1 ZINC000128779562 1416066449 /nfs/dbraw/zinc/06/64/49/1416066449.db2.gz MJLBVXFFEQMFTC-MRXNPFEDSA-N 2 2 395.532 3.081 20 0 GGADLP O=C(CC[NH2+][C@@H]1CCc2cc(Cl)ccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000128797056 1416070985 /nfs/dbraw/zinc/07/09/85/1416070985.db2.gz LVCPTTVPNXKLIQ-LJQANCHMSA-N 2 2 384.911 3.051 20 0 GGADLP O=C(CC[NH2+][C@H]1CCc2cc(Cl)ccc21)N1CCN(c2cccc[nH+]2)CC1 ZINC000128797289 1416071080 /nfs/dbraw/zinc/07/10/80/1416071080.db2.gz LVCPTTVPNXKLIQ-IBGZPJMESA-N 2 2 384.911 3.051 20 0 GGADLP Cc1cccc(C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)c1 ZINC000128809824 1416074671 /nfs/dbraw/zinc/07/46/71/1416074671.db2.gz WVQKYVBHVPDZQG-JOCHJYFZSA-N 2 2 392.547 3.040 20 0 GGADLP Cc1ccc(C[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000128828783 1416079571 /nfs/dbraw/zinc/07/95/71/1416079571.db2.gz YHMDGVQTIISHMS-QFIPXVFZSA-N 2 2 392.547 3.040 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(C[NH+](C)C)cc3)cn2c1 ZINC000129058932 1416135554 /nfs/dbraw/zinc/13/55/54/1416135554.db2.gz ZZTTXPKTQNIJPQ-UHFFFAOYSA-N 2 2 382.533 3.254 20 0 GGADLP CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000129377495 1416199823 /nfs/dbraw/zinc/19/98/23/1416199823.db2.gz SUUHWBYXNIONLJ-UHFFFAOYSA-N 2 2 389.503 3.046 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000129469681 1416214585 /nfs/dbraw/zinc/21/45/85/1416214585.db2.gz PWNQDXWOPDSXEU-UHFFFAOYSA-N 2 2 393.272 3.251 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129556970 1416227674 /nfs/dbraw/zinc/22/76/74/1416227674.db2.gz SHFIDKCTAHGNOE-WIYYLYMNSA-N 2 2 384.524 3.009 20 0 GGADLP CCCOCc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129556970 1416227677 /nfs/dbraw/zinc/22/76/77/1416227677.db2.gz SHFIDKCTAHGNOE-WIYYLYMNSA-N 2 2 384.524 3.009 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2OC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129555540 1416227738 /nfs/dbraw/zinc/22/77/38/1416227738.db2.gz MICMGELVAYHBNV-RXVVDRJESA-N 2 2 396.535 3.404 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2OC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129555540 1416227740 /nfs/dbraw/zinc/22/77/40/1416227740.db2.gz MICMGELVAYHBNV-RXVVDRJESA-N 2 2 396.535 3.404 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129848478 1416273625 /nfs/dbraw/zinc/27/36/25/1416273625.db2.gz RFOGVQYYFCTWGU-CTNGQTDRSA-N 2 2 380.536 3.394 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129848478 1416273628 /nfs/dbraw/zinc/27/36/28/1416273628.db2.gz RFOGVQYYFCTWGU-CTNGQTDRSA-N 2 2 380.536 3.394 20 0 GGADLP C[C@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)o1 ZINC000129850533 1416274030 /nfs/dbraw/zinc/27/40/30/1416274030.db2.gz YPDSDAKABCIBSB-JXFKEZNVSA-N 2 2 381.524 3.109 20 0 GGADLP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)o1 ZINC000129850533 1416274034 /nfs/dbraw/zinc/27/40/34/1416274034.db2.gz YPDSDAKABCIBSB-JXFKEZNVSA-N 2 2 381.524 3.109 20 0 GGADLP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000129915768 1416284336 /nfs/dbraw/zinc/28/43/36/1416284336.db2.gz IZTMEDOZVYBAAO-HTAPYJJXSA-N 2 2 398.526 3.058 20 0 GGADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000129962429 1416292354 /nfs/dbraw/zinc/29/23/54/1416292354.db2.gz PADJCJQFNJOPOE-MAUKXSAKSA-N 2 2 396.938 3.037 20 0 GGADLP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000129962429 1416292359 /nfs/dbraw/zinc/29/23/59/1416292359.db2.gz PADJCJQFNJOPOE-MAUKXSAKSA-N 2 2 396.938 3.037 20 0 GGADLP C[C@H]1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1n1cc[nH+]c1 ZINC000130005084 1416301175 /nfs/dbraw/zinc/30/11/75/1416301175.db2.gz IYYILMDZHFXKHT-FXAWDEMLSA-N 2 2 385.512 3.329 20 0 GGADLP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000130129074 1416323701 /nfs/dbraw/zinc/32/37/01/1416323701.db2.gz LLBXHAQXCCJHMQ-OAQYLSRUSA-N 2 2 398.507 3.487 20 0 GGADLP Cn1nc(-c2ccccc2)c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1Cl ZINC000130365315 1416365717 /nfs/dbraw/zinc/36/57/17/1416365717.db2.gz ZOIVICHMMVXOQF-MRXNPFEDSA-N 2 2 388.943 3.331 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000130408879 1416372953 /nfs/dbraw/zinc/37/29/53/1416372953.db2.gz RVJWZIKOPDIIRL-CQSZACIVSA-N 2 2 383.330 3.048 20 0 GGADLP CCOc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1OC(F)F ZINC000130410105 1416373432 /nfs/dbraw/zinc/37/34/32/1416373432.db2.gz USGRBQFXUAALTL-HNNXBMFYSA-N 2 2 384.467 3.277 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000130514944 1416392241 /nfs/dbraw/zinc/39/22/41/1416392241.db2.gz KCASLVVFOJCODD-SECBINFHSA-N 2 2 390.356 3.236 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F ZINC000130514944 1416392247 /nfs/dbraw/zinc/39/22/47/1416392247.db2.gz KCASLVVFOJCODD-SECBINFHSA-N 2 2 390.356 3.236 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000178506131 1429092788 /nfs/dbraw/zinc/09/27/88/1429092788.db2.gz IXMBCZBKQCVJHJ-CVDCTZTESA-N 2 2 375.520 3.327 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000178506131 1429092794 /nfs/dbraw/zinc/09/27/94/1429092794.db2.gz IXMBCZBKQCVJHJ-CVDCTZTESA-N 2 2 375.520 3.327 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000130550550 1416397427 /nfs/dbraw/zinc/39/74/27/1416397427.db2.gz SWGMVRKXBDHXSP-UHFFFAOYSA-N 2 2 387.421 3.133 20 0 GGADLP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(F)F)cc1OC(F)F ZINC000178522549 1429096768 /nfs/dbraw/zinc/09/67/68/1429096768.db2.gz KVZGCVMLRZOMTP-GFCCVEGCSA-N 2 2 394.409 3.387 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000130833167 1416462833 /nfs/dbraw/zinc/46/28/33/1416462833.db2.gz ZRPOFKLONUTSOQ-UHFFFAOYSA-N 2 2 394.401 3.047 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000130833167 1416462836 /nfs/dbraw/zinc/46/28/36/1416462836.db2.gz ZRPOFKLONUTSOQ-UHFFFAOYSA-N 2 2 394.401 3.047 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000130833167 1416462840 /nfs/dbraw/zinc/46/28/40/1416462840.db2.gz ZRPOFKLONUTSOQ-UHFFFAOYSA-N 2 2 394.401 3.047 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000130833167 1416462843 /nfs/dbraw/zinc/46/28/43/1416462843.db2.gz ZRPOFKLONUTSOQ-UHFFFAOYSA-N 2 2 394.401 3.047 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000130854888 1416468803 /nfs/dbraw/zinc/46/88/03/1416468803.db2.gz KMLXUKHUYWBNQD-GFCCVEGCSA-N 2 2 375.473 3.289 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1nc2ccc(F)cc2s1 ZINC000130854888 1416468807 /nfs/dbraw/zinc/46/88/07/1416468807.db2.gz KMLXUKHUYWBNQD-GFCCVEGCSA-N 2 2 375.473 3.289 20 0 GGADLP COc1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc(OC)c1OC ZINC000131009405 1416495723 /nfs/dbraw/zinc/49/57/23/1416495723.db2.gz ZMBJXGFOVWSROX-INIZCTEOSA-N 2 2 385.508 3.423 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000131101373 1416509047 /nfs/dbraw/zinc/50/90/47/1416509047.db2.gz SHGNSXBUVOTJTD-LJQANCHMSA-N 2 2 380.536 3.233 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CCN(c3cccc[nH+]3)CC2)[NH+]2CCCC2)cc1 ZINC000131120459 1416511821 /nfs/dbraw/zinc/51/18/21/1416511821.db2.gz CCCSHOLDFCOGBP-OAQYLSRUSA-N 2 2 393.535 3.059 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)C1 ZINC000131133589 1416514162 /nfs/dbraw/zinc/51/41/62/1416514162.db2.gz MYNSEWTYHKTXOL-LVCYWYKZSA-N 2 2 380.536 3.240 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)C1 ZINC000131133589 1416514166 /nfs/dbraw/zinc/51/41/66/1416514166.db2.gz MYNSEWTYHKTXOL-LVCYWYKZSA-N 2 2 380.536 3.240 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)c1ccco1 ZINC000131203644 1416523166 /nfs/dbraw/zinc/52/31/66/1416523166.db2.gz OKHDJQVHOFUNJW-ZVDOUQERSA-N 2 2 393.491 3.307 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000131251742 1416529940 /nfs/dbraw/zinc/52/99/40/1416529940.db2.gz BQTVVKDOKFRRLH-CQSZACIVSA-N 2 2 385.493 3.030 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2nc(-c3ccco3)cs2)C1 ZINC000131251742 1416529949 /nfs/dbraw/zinc/52/99/49/1416529949.db2.gz BQTVVKDOKFRRLH-CQSZACIVSA-N 2 2 385.493 3.030 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000131334008 1416541676 /nfs/dbraw/zinc/54/16/76/1416541676.db2.gz LTPNKLCKOSUVJM-QUCCMNQESA-N 2 2 385.552 3.412 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000131334008 1416541680 /nfs/dbraw/zinc/54/16/80/1416541680.db2.gz LTPNKLCKOSUVJM-QUCCMNQESA-N 2 2 385.552 3.412 20 0 GGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000131344841 1416542715 /nfs/dbraw/zinc/54/27/15/1416542715.db2.gz LVYUQDYIUTYWGY-OAQYLSRUSA-N 2 2 384.549 3.062 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000131350070 1416544067 /nfs/dbraw/zinc/54/40/67/1416544067.db2.gz FGILWPZAGJXCGL-FQEVSTJZSA-N 2 2 398.551 3.170 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000131350070 1416544070 /nfs/dbraw/zinc/54/40/70/1416544070.db2.gz FGILWPZAGJXCGL-FQEVSTJZSA-N 2 2 398.551 3.170 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000131360147 1416545024 /nfs/dbraw/zinc/54/50/24/1416545024.db2.gz ZNIMYNAQALHKHH-HOCLYGCPSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000131360147 1416545025 /nfs/dbraw/zinc/54/50/25/1416545025.db2.gz ZNIMYNAQALHKHH-HOCLYGCPSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000131362526 1416545632 /nfs/dbraw/zinc/54/56/32/1416545632.db2.gz VPGUDOAEECFVHZ-HNNXBMFYSA-N 2 2 395.288 3.479 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000131362526 1416545636 /nfs/dbraw/zinc/54/56/36/1416545636.db2.gz VPGUDOAEECFVHZ-HNNXBMFYSA-N 2 2 395.288 3.479 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000131392524 1416550077 /nfs/dbraw/zinc/55/00/77/1416550077.db2.gz MIOXADDNIBJDKB-QMMLZNLJSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000131392524 1416550078 /nfs/dbraw/zinc/55/00/78/1416550078.db2.gz MIOXADDNIBJDKB-QMMLZNLJSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000131392524 1416550079 /nfs/dbraw/zinc/55/00/79/1416550079.db2.gz MIOXADDNIBJDKB-QMMLZNLJSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000131392524 1416550080 /nfs/dbraw/zinc/55/00/80/1416550080.db2.gz MIOXADDNIBJDKB-QMMLZNLJSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[NH+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000131392524 1416550081 /nfs/dbraw/zinc/55/00/81/1416550081.db2.gz MIOXADDNIBJDKB-QMMLZNLJSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[NH+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000131392524 1416550082 /nfs/dbraw/zinc/55/00/82/1416550082.db2.gz MIOXADDNIBJDKB-QMMLZNLJSA-N 2 2 379.976 3.422 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000131404182 1416552050 /nfs/dbraw/zinc/55/20/50/1416552050.db2.gz LEPQIXFLBUGFKY-YOEHRIQHSA-N 2 2 378.314 3.171 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000131404182 1416552053 /nfs/dbraw/zinc/55/20/53/1416552053.db2.gz LEPQIXFLBUGFKY-YOEHRIQHSA-N 2 2 378.314 3.171 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000131448401 1416559591 /nfs/dbraw/zinc/55/95/91/1416559591.db2.gz HIMWHJFEGLNPIV-GOSISDBHSA-N 2 2 383.458 3.052 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000131448401 1416559594 /nfs/dbraw/zinc/55/95/94/1416559594.db2.gz HIMWHJFEGLNPIV-GOSISDBHSA-N 2 2 383.458 3.052 20 0 GGADLP Cc1cc(C(=O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(C)n1-c1nccs1 ZINC000131480948 1416564580 /nfs/dbraw/zinc/56/45/80/1416564580.db2.gz CGISEURWNUROHF-UHFFFAOYSA-N 2 2 397.548 3.422 20 0 GGADLP CS(=O)(=O)Cc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000131581654 1416579493 /nfs/dbraw/zinc/57/94/93/1416579493.db2.gz KRBYQIAZTHIKOS-UHFFFAOYSA-N 2 2 386.561 3.028 20 0 GGADLP CC(C)c1ncc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000131620195 1416585575 /nfs/dbraw/zinc/58/55/75/1416585575.db2.gz IXZFBOLZQVYKFD-UHFFFAOYSA-N 2 2 375.538 3.267 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1C ZINC000131635742 1416587971 /nfs/dbraw/zinc/58/79/71/1416587971.db2.gz CXFIXAHZBIWHTO-LPHOPBHVSA-N 2 2 382.508 3.169 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1C ZINC000131635742 1416587973 /nfs/dbraw/zinc/58/79/73/1416587973.db2.gz CXFIXAHZBIWHTO-LPHOPBHVSA-N 2 2 382.508 3.169 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000131641974 1416589256 /nfs/dbraw/zinc/58/92/56/1416589256.db2.gz YZIBDFLJJOIHAZ-INIZCTEOSA-N 2 2 394.441 3.055 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC3(Cc4ccccc4)CCC3)CC2)CC1 ZINC000131661002 1416592195 /nfs/dbraw/zinc/59/21/95/1416592195.db2.gz WUJNSJKODIEBSN-UHFFFAOYSA-N 2 2 398.595 3.257 20 0 GGADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000131945601 1416656754 /nfs/dbraw/zinc/65/67/54/1416656754.db2.gz RYFHARNFIBVCCS-NRFANRHFSA-N 2 2 397.567 3.284 20 0 GGADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCCc1[nH+]ccn1Cc1ccccc1 ZINC000131945601 1416656757 /nfs/dbraw/zinc/65/67/57/1416656757.db2.gz RYFHARNFIBVCCS-NRFANRHFSA-N 2 2 397.567 3.284 20 0 GGADLP C[C@@H]([NH2+]CCc1[nH+]ccn1Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000132189444 1416714537 /nfs/dbraw/zinc/71/45/37/1416714537.db2.gz KYAOGXDXRFOSMD-QGZVFWFLSA-N 2 2 398.532 3.196 20 0 GGADLP CC1CC[NH+](C2CCC(Nc3cc(N4CCC[C@@H](CO)C4)[nH+]cn3)CC2)CC1 ZINC000132210241 1416717347 /nfs/dbraw/zinc/71/73/47/1416717347.db2.gz SXDIISRKQPTEOF-XEVCZEQESA-N 2 2 387.572 3.140 20 0 GGADLP CC1CC[NH+](C2CCC(Nc3cc(N4CCC[C@@H](CO)C4)nc[nH+]3)CC2)CC1 ZINC000132210241 1416717353 /nfs/dbraw/zinc/71/73/53/1416717353.db2.gz SXDIISRKQPTEOF-XEVCZEQESA-N 2 2 387.572 3.140 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000132706161 1416806207 /nfs/dbraw/zinc/80/62/07/1416806207.db2.gz QRQLSLULKRSMSE-LJQANCHMSA-N 2 2 389.931 3.405 20 0 GGADLP CN(c1ccccc1C[NH2+]Cc1nncn1-c1ccccc1)C1CC[NH+](C)CC1 ZINC000132954871 1416835641 /nfs/dbraw/zinc/83/56/41/1416835641.db2.gz LDNNIZSAVHAOKN-UHFFFAOYSA-N 2 2 390.535 3.088 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000133015344 1416842312 /nfs/dbraw/zinc/84/23/12/1416842312.db2.gz HOAGKTSCHACFSR-OALUTQOASA-N 2 2 387.568 3.222 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000133152296 1416857781 /nfs/dbraw/zinc/85/77/81/1416857781.db2.gz KHZQTXPBXTZMEA-SFHVURJKSA-N 2 2 393.959 3.172 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000133152296 1416857782 /nfs/dbraw/zinc/85/77/82/1416857782.db2.gz KHZQTXPBXTZMEA-SFHVURJKSA-N 2 2 393.959 3.172 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]C3CCN(C(=O)c4ccoc4)CC3)CC2)cc1 ZINC000133309647 1416877268 /nfs/dbraw/zinc/87/72/68/1416877268.db2.gz BKLYIQBXRDNBAQ-UHFFFAOYSA-N 2 2 396.535 3.209 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCSc4ccc(Cl)cc43)cn2)CC1 ZINC000133687612 1416941281 /nfs/dbraw/zinc/94/12/81/1416941281.db2.gz XDXOXUYDJHOISY-QGZVFWFLSA-N 2 2 389.956 3.209 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(c3ccccc3)c3ccccc3)cn2)CC1 ZINC000134281869 1417049150 /nfs/dbraw/zinc/04/91/50/1417049150.db2.gz WZLYXHFGNRELOB-UHFFFAOYSA-N 2 2 387.531 3.282 20 0 GGADLP COc1ccc2oc([C@@H](C)[NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)c(C)c2c1 ZINC000134297060 1417051840 /nfs/dbraw/zinc/05/18/40/1417051840.db2.gz WRNLKGHYICPTIB-MRXNPFEDSA-N 2 2 395.507 3.142 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000178731442 1429154395 /nfs/dbraw/zinc/15/43/95/1429154395.db2.gz PBRZDZPMIYZWSM-GOSISDBHSA-N 2 2 376.545 3.216 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000178731442 1429154402 /nfs/dbraw/zinc/15/44/02/1429154402.db2.gz PBRZDZPMIYZWSM-GOSISDBHSA-N 2 2 376.545 3.216 20 0 GGADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc(Cl)c1Cl ZINC000134340112 1417057492 /nfs/dbraw/zinc/05/74/92/1417057492.db2.gz WVWLPMXWYADPPM-ZDUSSCGKSA-N 2 2 380.323 3.386 20 0 GGADLP CCC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1F ZINC000134411414 1417066385 /nfs/dbraw/zinc/06/63/85/1417066385.db2.gz PRLZUYNKIYJXBU-IBGZPJMESA-N 2 2 375.467 3.138 20 0 GGADLP CN1CCO[C@H]([C@H]([NH2+]CCc2cn3c([nH+]2)CCCC3)c2ccc(Cl)cc2)C1 ZINC000134691960 1417112857 /nfs/dbraw/zinc/11/28/57/1417112857.db2.gz RLLOKKJYZIZMFZ-PZJWPPBQSA-N 2 2 388.943 3.077 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCCCNc1cccc[nH+]1 ZINC000134818789 1417131276 /nfs/dbraw/zinc/13/12/76/1417131276.db2.gz PQIWQYYWMCKNBM-RTBURBONSA-N 2 2 395.551 3.339 20 0 GGADLP CCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134867216 1417136301 /nfs/dbraw/zinc/13/63/01/1417136301.db2.gz OENQMJRZBRNTRW-KNQAVFIVSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134867216 1417136303 /nfs/dbraw/zinc/13/63/03/1417136303.db2.gz OENQMJRZBRNTRW-KNQAVFIVSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134867216 1417136309 /nfs/dbraw/zinc/13/63/09/1417136309.db2.gz OENQMJRZBRNTRW-KNQAVFIVSA-N 2 2 385.552 3.040 20 0 GGADLP CCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134867216 1417136315 /nfs/dbraw/zinc/13/63/15/1417136315.db2.gz OENQMJRZBRNTRW-KNQAVFIVSA-N 2 2 385.552 3.040 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000134884938 1417139401 /nfs/dbraw/zinc/13/94/01/1417139401.db2.gz HRROUOHSIFWKOB-ISKFKSNPSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000134884938 1417139406 /nfs/dbraw/zinc/13/94/06/1417139406.db2.gz HRROUOHSIFWKOB-ISKFKSNPSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000134884938 1417139410 /nfs/dbraw/zinc/13/94/10/1417139410.db2.gz HRROUOHSIFWKOB-ISKFKSNPSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000134884938 1417139415 /nfs/dbraw/zinc/13/94/15/1417139415.db2.gz HRROUOHSIFWKOB-ISKFKSNPSA-N 2 2 395.591 3.416 20 0 GGADLP CN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1CCCc2ccccc21 ZINC000134909941 1417142885 /nfs/dbraw/zinc/14/28/85/1417142885.db2.gz UOGMSXIWDVJPLY-PTUXOGIPSA-N 2 2 381.564 3.471 20 0 GGADLP CN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[C@H]1CCCc2ccccc21 ZINC000134909941 1417142891 /nfs/dbraw/zinc/14/28/91/1417142891.db2.gz UOGMSXIWDVJPLY-PTUXOGIPSA-N 2 2 381.564 3.471 20 0 GGADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[C@H]1CCCc2ccccc21 ZINC000134909941 1417142895 /nfs/dbraw/zinc/14/28/95/1417142895.db2.gz UOGMSXIWDVJPLY-PTUXOGIPSA-N 2 2 381.564 3.471 20 0 GGADLP CN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H]1CCCc2ccccc21 ZINC000134909941 1417142898 /nfs/dbraw/zinc/14/28/98/1417142898.db2.gz UOGMSXIWDVJPLY-PTUXOGIPSA-N 2 2 381.564 3.471 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1Cl ZINC000134909373 1417142929 /nfs/dbraw/zinc/14/29/29/1417142929.db2.gz JLDVFPCUOJSHIA-RZQQEMMASA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1Cl ZINC000134909373 1417142935 /nfs/dbraw/zinc/14/29/35/1417142935.db2.gz JLDVFPCUOJSHIA-RZQQEMMASA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Cl ZINC000134909373 1417142938 /nfs/dbraw/zinc/14/29/38/1417142938.db2.gz JLDVFPCUOJSHIA-RZQQEMMASA-N 2 2 375.944 3.466 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Cl ZINC000134909373 1417142946 /nfs/dbraw/zinc/14/29/46/1417142946.db2.gz JLDVFPCUOJSHIA-RZQQEMMASA-N 2 2 375.944 3.466 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134915299 1417144118 /nfs/dbraw/zinc/14/41/18/1417144118.db2.gz JGIRZODATIUMOL-OFNKIYASSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134915299 1417144120 /nfs/dbraw/zinc/14/41/20/1417144120.db2.gz JGIRZODATIUMOL-OFNKIYASSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134915299 1417144123 /nfs/dbraw/zinc/14/41/23/1417144123.db2.gz JGIRZODATIUMOL-OFNKIYASSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134915299 1417144125 /nfs/dbraw/zinc/14/41/25/1417144125.db2.gz JGIRZODATIUMOL-OFNKIYASSA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134915272 1417144190 /nfs/dbraw/zinc/14/41/90/1417144190.db2.gz JGIRZODATIUMOL-NFBKMPQASA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134915272 1417144191 /nfs/dbraw/zinc/14/41/91/1417144191.db2.gz JGIRZODATIUMOL-NFBKMPQASA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134915272 1417144193 /nfs/dbraw/zinc/14/41/93/1417144193.db2.gz JGIRZODATIUMOL-NFBKMPQASA-N 2 2 399.579 3.430 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134915272 1417144195 /nfs/dbraw/zinc/14/41/95/1417144195.db2.gz JGIRZODATIUMOL-NFBKMPQASA-N 2 2 399.579 3.430 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134924406 1417145558 /nfs/dbraw/zinc/14/55/58/1417145558.db2.gz QPBTUCJGAZVTNJ-GGAORHGYSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134924406 1417145564 /nfs/dbraw/zinc/14/55/64/1417145564.db2.gz QPBTUCJGAZVTNJ-GGAORHGYSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134924406 1417145570 /nfs/dbraw/zinc/14/55/70/1417145570.db2.gz QPBTUCJGAZVTNJ-GGAORHGYSA-N 2 2 383.580 3.417 20 0 GGADLP CC(C)c1ccc(CCNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134924406 1417145576 /nfs/dbraw/zinc/14/55/76/1417145576.db2.gz QPBTUCJGAZVTNJ-GGAORHGYSA-N 2 2 383.580 3.417 20 0 GGADLP COc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134924833 1417145930 /nfs/dbraw/zinc/14/59/30/1417145930.db2.gz LCJFALFAYAEBEF-AUSIDOKSSA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134924833 1417145932 /nfs/dbraw/zinc/14/59/32/1417145932.db2.gz LCJFALFAYAEBEF-AUSIDOKSSA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134924833 1417145935 /nfs/dbraw/zinc/14/59/35/1417145935.db2.gz LCJFALFAYAEBEF-AUSIDOKSSA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134924833 1417145938 /nfs/dbraw/zinc/14/59/38/1417145938.db2.gz LCJFALFAYAEBEF-AUSIDOKSSA-N 2 2 397.563 3.135 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C(C)C)cc1 ZINC000134942360 1417148812 /nfs/dbraw/zinc/14/88/12/1417148812.db2.gz BHHANLJUAWWODG-ZFJSRUIDSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C(C)C)cc1 ZINC000134942360 1417148822 /nfs/dbraw/zinc/14/88/22/1417148822.db2.gz BHHANLJUAWWODG-ZFJSRUIDSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C(C)C)cc1 ZINC000134942360 1417148833 /nfs/dbraw/zinc/14/88/33/1417148833.db2.gz BHHANLJUAWWODG-ZFJSRUIDSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(C)C)cc1 ZINC000134942360 1417148850 /nfs/dbraw/zinc/14/88/50/1417148850.db2.gz BHHANLJUAWWODG-ZFJSRUIDSA-N 2 2 399.579 3.457 20 0 GGADLP CN(Cc1ccc(Cl)c(F)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000135337470 1417209477 /nfs/dbraw/zinc/20/94/77/1417209477.db2.gz RVFQWOWCPTUYFB-UHFFFAOYSA-N 2 2 396.938 3.179 20 0 GGADLP Cc1ccc(-c2cncc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)c2)cc1 ZINC000135535038 1417234248 /nfs/dbraw/zinc/23/42/48/1417234248.db2.gz FTJFQXONSUUTPG-UHFFFAOYSA-N 2 2 380.536 3.155 20 0 GGADLP Cc1ccc(-c2cncc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)c2)cc1 ZINC000135535038 1417234252 /nfs/dbraw/zinc/23/42/52/1417234252.db2.gz FTJFQXONSUUTPG-UHFFFAOYSA-N 2 2 380.536 3.155 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3C[C@H](c4ccccc4)C(C)(C)C3)CC2)CC1 ZINC000136183873 1417299033 /nfs/dbraw/zinc/29/90/33/1417299033.db2.gz KLDWWFOADYFXSN-JOCHJYFZSA-N 2 2 398.595 3.380 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000136307954 1417308092 /nfs/dbraw/zinc/30/80/92/1417308092.db2.gz SVYXRMRWIQDDOL-UHFFFAOYSA-N 2 2 386.830 3.407 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000136307954 1417308096 /nfs/dbraw/zinc/30/80/96/1417308096.db2.gz SVYXRMRWIQDDOL-UHFFFAOYSA-N 2 2 386.830 3.407 20 0 GGADLP CCc1ccc([C@@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[NH+](C)C)cc1 ZINC000136372157 1417311744 /nfs/dbraw/zinc/31/17/44/1417311744.db2.gz SAOLSUMNSIXVCT-PZJWPPBQSA-N 2 2 397.567 3.250 20 0 GGADLP CCc1ccc([C@H](CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)[NH+](C)C)cc1 ZINC000136372187 1417311960 /nfs/dbraw/zinc/31/19/60/1417311960.db2.gz SAOLSUMNSIXVCT-FPOVZHCZSA-N 2 2 397.567 3.250 20 0 GGADLP CCc1ccc([C@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[NH+](C)C)cc1 ZINC000136372114 1417311969 /nfs/dbraw/zinc/31/19/69/1417311969.db2.gz SAOLSUMNSIXVCT-CTNGQTDRSA-N 2 2 397.567 3.250 20 0 GGADLP CCc1ccc([C@@H](CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)[NH+](C)C)cc1 ZINC000136372073 1417312044 /nfs/dbraw/zinc/31/20/44/1417312044.db2.gz SAOLSUMNSIXVCT-TZIWHRDSSA-N 2 2 397.567 3.250 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000136577554 1417328929 /nfs/dbraw/zinc/32/89/29/1417328929.db2.gz QCUJCFWBGRJXDS-IBGZPJMESA-N 2 2 397.567 3.426 20 0 GGADLP COc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1OC(F)F ZINC000136585440 1417329424 /nfs/dbraw/zinc/32/94/24/1417329424.db2.gz SFJANPAOAPSUJQ-SJORKVTESA-N 2 2 384.467 3.154 20 0 GGADLP COc1ccc(OC(F)F)c(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000136599131 1417331507 /nfs/dbraw/zinc/33/15/07/1417331507.db2.gz MWYNXDGIMNFHBX-ZWKOTPCHSA-N 2 2 384.467 3.154 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)CC(C)C ZINC000136698355 1417339937 /nfs/dbraw/zinc/33/99/37/1417339937.db2.gz XLRTUMNHOJOXHY-RTBURBONSA-N 2 2 377.577 3.141 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136749371 1417343011 /nfs/dbraw/zinc/34/30/11/1417343011.db2.gz CORKCBAUWAWWIS-LJQANCHMSA-N 2 2 397.567 3.425 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136749371 1417343013 /nfs/dbraw/zinc/34/30/13/1417343013.db2.gz CORKCBAUWAWWIS-LJQANCHMSA-N 2 2 397.567 3.425 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000136780134 1417345151 /nfs/dbraw/zinc/34/51/51/1417345151.db2.gz IGUDSRHRVXWVMC-OAQYLSRUSA-N 2 2 395.551 3.180 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000136781324 1417345773 /nfs/dbraw/zinc/34/57/73/1417345773.db2.gz SFISRUSYYIAHBQ-OAQYLSRUSA-N 2 2 397.567 3.426 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000136829869 1417348510 /nfs/dbraw/zinc/34/85/10/1417348510.db2.gz HTHUBRZNMDNZID-SFHVURJKSA-N 2 2 375.561 3.039 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000136829869 1417348519 /nfs/dbraw/zinc/34/85/19/1417348519.db2.gz HTHUBRZNMDNZID-SFHVURJKSA-N 2 2 375.561 3.039 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136859998 1417350952 /nfs/dbraw/zinc/35/09/52/1417350952.db2.gz DBPKUZGDCALMAL-RBUKOAKNSA-N 2 2 375.561 3.039 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136859998 1417350958 /nfs/dbraw/zinc/35/09/58/1417350958.db2.gz DBPKUZGDCALMAL-RBUKOAKNSA-N 2 2 375.561 3.039 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136859955 1417351316 /nfs/dbraw/zinc/35/13/16/1417351316.db2.gz DBPKUZGDCALMAL-RTBURBONSA-N 2 2 375.561 3.039 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000136859955 1417351324 /nfs/dbraw/zinc/35/13/24/1417351324.db2.gz DBPKUZGDCALMAL-RTBURBONSA-N 2 2 375.561 3.039 20 0 GGADLP CC(C)n1nccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178813853 1429178791 /nfs/dbraw/zinc/17/87/91/1429178791.db2.gz QGOWXFKYJYVZDO-MOPGFXCFSA-N 2 2 390.576 3.265 20 0 GGADLP CC(C)n1nccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178813853 1429178795 /nfs/dbraw/zinc/17/87/95/1429178795.db2.gz QGOWXFKYJYVZDO-MOPGFXCFSA-N 2 2 390.576 3.265 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000137213755 1417375549 /nfs/dbraw/zinc/37/55/49/1417375549.db2.gz RBNWGYKSUYKZFI-LJQANCHMSA-N 2 2 383.540 3.489 20 0 GGADLP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2)cc1 ZINC000137213755 1417375556 /nfs/dbraw/zinc/37/55/56/1417375556.db2.gz RBNWGYKSUYKZFI-LJQANCHMSA-N 2 2 383.540 3.489 20 0 GGADLP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000137730104 1417393464 /nfs/dbraw/zinc/39/34/64/1417393464.db2.gz ZSXARGQWHUHZLE-SFHVURJKSA-N 2 2 396.535 3.197 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccco1 ZINC000137857913 1417397243 /nfs/dbraw/zinc/39/72/43/1417397243.db2.gz OAIIMEPORSPDPG-QZTJIDSGSA-N 2 2 387.528 3.060 20 0 GGADLP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C1 ZINC000138684884 1417434372 /nfs/dbraw/zinc/43/43/72/1417434372.db2.gz PXGHWKGZQDIIMI-JKSUJKDBSA-N 2 2 379.574 3.228 20 0 GGADLP CCC[N@H+]1CC[C@H](CNC(=O)Nc2nc(C[NH+]3CCC[C@H](C)C3)cs2)C1 ZINC000138684884 1417434386 /nfs/dbraw/zinc/43/43/86/1417434386.db2.gz PXGHWKGZQDIIMI-JKSUJKDBSA-N 2 2 379.574 3.228 20 0 GGADLP CCC[NH+]1CC[C@H](CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000138684884 1417434418 /nfs/dbraw/zinc/43/44/18/1417434418.db2.gz PXGHWKGZQDIIMI-JKSUJKDBSA-N 2 2 379.574 3.228 20 0 GGADLP CCC[NH+]1CC[C@H](CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000138684884 1417434437 /nfs/dbraw/zinc/43/44/37/1417434437.db2.gz PXGHWKGZQDIIMI-JKSUJKDBSA-N 2 2 379.574 3.228 20 0 GGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000139649169 1417468204 /nfs/dbraw/zinc/46/82/04/1417468204.db2.gz XLXWEQDISVEUMN-MOPGFXCFSA-N 2 2 375.561 3.039 20 0 GGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000139649169 1417468214 /nfs/dbraw/zinc/46/82/14/1417468214.db2.gz XLXWEQDISVEUMN-MOPGFXCFSA-N 2 2 375.561 3.039 20 0 GGADLP CC(C)([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccc(F)cc1 ZINC000178834123 1429187215 /nfs/dbraw/zinc/18/72/15/1429187215.db2.gz OHIGROPPQLBRIW-UHFFFAOYSA-N 2 2 375.513 3.056 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000141559329 1417543591 /nfs/dbraw/zinc/54/35/91/1417543591.db2.gz ZGRAQGWNVCMUBT-UHFFFAOYSA-N 2 2 386.565 3.227 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000141559329 1417543627 /nfs/dbraw/zinc/54/36/27/1417543627.db2.gz ZGRAQGWNVCMUBT-UHFFFAOYSA-N 2 2 386.565 3.227 20 0 GGADLP COc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000144068940 1417655393 /nfs/dbraw/zinc/65/53/93/1417655393.db2.gz HTSHDNDQGNMXEX-VXKWHMMOSA-N 2 2 381.520 3.251 20 0 GGADLP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)CC1 ZINC000144915739 1417676474 /nfs/dbraw/zinc/67/64/74/1417676474.db2.gz LCTQVMQTTSUUKB-JOCHJYFZSA-N 2 2 380.536 3.066 20 0 GGADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150751143 1417798777 /nfs/dbraw/zinc/79/87/77/1417798777.db2.gz NSTUBYFWJOBAQV-DENIHFKCSA-N 2 2 385.552 3.167 20 0 GGADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150751143 1417798783 /nfs/dbraw/zinc/79/87/83/1417798783.db2.gz NSTUBYFWJOBAQV-DENIHFKCSA-N 2 2 385.552 3.167 20 0 GGADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150751465 1417798942 /nfs/dbraw/zinc/79/89/42/1417798942.db2.gz WXTBMBUSWDITII-IBGZPJMESA-N 2 2 375.532 3.371 20 0 GGADLP CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150751465 1417798950 /nfs/dbraw/zinc/79/89/50/1417798950.db2.gz WXTBMBUSWDITII-IBGZPJMESA-N 2 2 375.532 3.371 20 0 GGADLP Cn1c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000150796687 1417808763 /nfs/dbraw/zinc/80/87/63/1417808763.db2.gz OTNQFXKUBCCYFY-CQSZACIVSA-N 2 2 396.457 3.183 20 0 GGADLP O=C(C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000150805005 1417810423 /nfs/dbraw/zinc/81/04/23/1417810423.db2.gz FZMGWANKUMFAOA-LJQANCHMSA-N 2 2 392.547 3.201 20 0 GGADLP O=C(C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000150805005 1417810428 /nfs/dbraw/zinc/81/04/28/1417810428.db2.gz FZMGWANKUMFAOA-LJQANCHMSA-N 2 2 392.547 3.201 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000151130034 1417878355 /nfs/dbraw/zinc/87/83/55/1417878355.db2.gz UVOBJPWBILOWTL-QAPCUYQASA-N 2 2 394.441 3.418 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000151130034 1417878356 /nfs/dbraw/zinc/87/83/56/1417878356.db2.gz UVOBJPWBILOWTL-QAPCUYQASA-N 2 2 394.441 3.418 20 0 GGADLP O[C@H](C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000151497744 1418003923 /nfs/dbraw/zinc/00/39/23/1418003923.db2.gz JMJQBDDADWMSCG-OAQYLSRUSA-N 2 2 396.922 3.239 20 0 GGADLP O[C@H](C[NH2+]Cc1c[nH]nc1-c1cccc(Cl)c1)C[N@H+]1CCc2ccccc2C1 ZINC000151497744 1418003934 /nfs/dbraw/zinc/00/39/34/1418003934.db2.gz JMJQBDDADWMSCG-OAQYLSRUSA-N 2 2 396.922 3.239 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000151508715 1418007950 /nfs/dbraw/zinc/00/79/50/1418007950.db2.gz POEWWQDBMCISSD-UHFFFAOYSA-N 2 2 399.583 3.479 20 0 GGADLP CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000151704095 1418067018 /nfs/dbraw/zinc/06/70/18/1418067018.db2.gz NNPXRTLIZNIPHU-JRGCBEDISA-N 2 2 383.540 3.341 20 0 GGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1OC ZINC000151771513 1418083545 /nfs/dbraw/zinc/08/35/45/1418083545.db2.gz IADQFIAUWGKAHQ-FXAWDEMLSA-N 2 2 384.520 3.082 20 0 GGADLP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1OC ZINC000151771513 1418083550 /nfs/dbraw/zinc/08/35/50/1418083550.db2.gz IADQFIAUWGKAHQ-FXAWDEMLSA-N 2 2 384.520 3.082 20 0 GGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1ccc(OC)c(OC)c1 ZINC000151782906 1418085915 /nfs/dbraw/zinc/08/59/15/1418085915.db2.gz ABIYZBFFXLYJJL-RTWAWAEBSA-N 2 2 384.520 3.164 20 0 GGADLP CC[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1ccc(OC)c(OC)c1 ZINC000151782906 1418085918 /nfs/dbraw/zinc/08/59/18/1418085918.db2.gz ABIYZBFFXLYJJL-RTWAWAEBSA-N 2 2 384.520 3.164 20 0 GGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151835387 1418097643 /nfs/dbraw/zinc/09/76/43/1418097643.db2.gz NVWDBHRHBFAISU-JOCHJYFZSA-N 2 2 394.519 3.430 20 0 GGADLP CN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000151844358 1418099766 /nfs/dbraw/zinc/09/97/66/1418099766.db2.gz OWNGRIUAPSHFSO-YADHBBJMSA-N 2 2 386.584 3.162 20 0 GGADLP CN(C)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000151844358 1418099771 /nfs/dbraw/zinc/09/97/71/1418099771.db2.gz OWNGRIUAPSHFSO-YADHBBJMSA-N 2 2 386.584 3.162 20 0 GGADLP CC(C)(C)CC(=O)N1CCC([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000152007956 1418118661 /nfs/dbraw/zinc/11/86/61/1418118661.db2.gz VGOJOSKKNNNRQC-UHFFFAOYSA-N 2 2 387.568 3.036 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000152014065 1418120704 /nfs/dbraw/zinc/12/07/04/1418120704.db2.gz GZVWLZYXTAEAGQ-SFHVURJKSA-N 2 2 396.539 3.194 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCCCNc2cccc[nH+]2)CC1 ZINC000152014148 1418120833 /nfs/dbraw/zinc/12/08/33/1418120833.db2.gz GZVWLZYXTAEAGQ-GOSISDBHSA-N 2 2 396.539 3.194 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000152046419 1418129198 /nfs/dbraw/zinc/12/91/98/1418129198.db2.gz ZQVAMOKJOFAHPH-SIKLNZKXSA-N 2 2 395.551 3.449 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000152046560 1418129244 /nfs/dbraw/zinc/12/92/44/1418129244.db2.gz ZQVAMOKJOFAHPH-UGKGYDQZSA-N 2 2 395.551 3.449 20 0 GGADLP C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@H]1n1cc[nH+]c1 ZINC000152104584 1418146359 /nfs/dbraw/zinc/14/63/59/1418146359.db2.gz KSROILFIFNIGLF-GHTZIAJQSA-N 2 2 381.524 3.272 20 0 GGADLP CC(C)[C@@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)[NH+]1CCC(C)CC1 ZINC000152146336 1418157445 /nfs/dbraw/zinc/15/74/45/1418157445.db2.gz WGOBOHNGOKDSPS-VAMGGRTRSA-N 2 2 375.561 3.232 20 0 GGADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000178998918 1429239221 /nfs/dbraw/zinc/23/92/21/1429239221.db2.gz QHFBTCRXTVVRKJ-FQEVSTJZSA-N 2 2 378.948 3.361 20 0 GGADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ncccc3C(F)(F)F)cc2)CC1 ZINC000152214372 1418174691 /nfs/dbraw/zinc/17/46/91/1418174691.db2.gz PYQLNCZNENDCPI-UHFFFAOYSA-N 2 2 378.442 3.138 20 0 GGADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ncccc3C(F)(F)F)cc2)CC1 ZINC000152214372 1418174696 /nfs/dbraw/zinc/17/46/96/1418174696.db2.gz PYQLNCZNENDCPI-UHFFFAOYSA-N 2 2 378.442 3.138 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000152233401 1418180303 /nfs/dbraw/zinc/18/03/03/1418180303.db2.gz LPRBSNKYAVDZPK-KRWDZBQOSA-N 2 2 396.516 3.263 20 0 GGADLP COc1cc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)ccc1S(C)(=O)=O ZINC000152240254 1418181600 /nfs/dbraw/zinc/18/16/00/1418181600.db2.gz USHBGLGDDOYXSU-HNNXBMFYSA-N 2 2 385.489 3.135 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000152259067 1418187066 /nfs/dbraw/zinc/18/70/66/1418187066.db2.gz SHGVDXDMOGKRNI-IYWMVGAKSA-N 2 2 375.561 3.234 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000152259067 1418187076 /nfs/dbraw/zinc/18/70/76/1418187076.db2.gz SHGVDXDMOGKRNI-IYWMVGAKSA-N 2 2 375.561 3.234 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000179169001 1429283636 /nfs/dbraw/zinc/28/36/36/1429283636.db2.gz CUMKNPDCVXZEGK-AKIFATBCSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000179169001 1429283645 /nfs/dbraw/zinc/28/36/45/1429283645.db2.gz CUMKNPDCVXZEGK-AKIFATBCSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000179169001 1429283651 /nfs/dbraw/zinc/28/36/51/1429283651.db2.gz CUMKNPDCVXZEGK-AKIFATBCSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000179169001 1429283659 /nfs/dbraw/zinc/28/36/59/1429283659.db2.gz CUMKNPDCVXZEGK-AKIFATBCSA-N 2 2 383.580 3.491 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(OC)c(Cl)c3)CC2)CC1 ZINC000179316795 1429326030 /nfs/dbraw/zinc/32/60/30/1429326030.db2.gz WNLYWSHXJBJTGO-UHFFFAOYSA-N 2 2 393.959 3.115 20 0 GGADLP Cc1cc2ncc([C@@H](C)[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)c(C)n2n1 ZINC000179400280 1429359767 /nfs/dbraw/zinc/35/97/67/1429359767.db2.gz ILTKGYGEIHGVHV-QGZVFWFLSA-N 2 2 379.508 3.029 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000179449821 1429380260 /nfs/dbraw/zinc/38/02/60/1429380260.db2.gz YIJQMKFZRRDDLD-SFHVURJKSA-N 2 2 394.523 3.401 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 ZINC000179449831 1429380957 /nfs/dbraw/zinc/38/09/57/1429380957.db2.gz YIJQMKFZRRDDLD-GOSISDBHSA-N 2 2 394.523 3.401 20 0 GGADLP CN(C(=O)NCc1ccsc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179511504 1429402543 /nfs/dbraw/zinc/40/25/43/1429402543.db2.gz ZCOMKUWSJSAOIK-MOPGFXCFSA-N 2 2 378.586 3.227 20 0 GGADLP CN(C(=O)NCc1ccsc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179511504 1429402548 /nfs/dbraw/zinc/40/25/48/1429402548.db2.gz ZCOMKUWSJSAOIK-MOPGFXCFSA-N 2 2 378.586 3.227 20 0 GGADLP CCCn1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000179654130 1429491682 /nfs/dbraw/zinc/49/16/82/1429491682.db2.gz RIEKEVHQUQJXHJ-UXHICEINSA-N 2 2 390.576 3.094 20 0 GGADLP CCCn1cc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cn1 ZINC000179654130 1429491684 /nfs/dbraw/zinc/49/16/84/1429491684.db2.gz RIEKEVHQUQJXHJ-UXHICEINSA-N 2 2 390.576 3.094 20 0 GGADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000179678373 1429503598 /nfs/dbraw/zinc/50/35/98/1429503598.db2.gz KNYFVAWYDXLXPC-LEWJYISDSA-N 2 2 387.572 3.499 20 0 GGADLP Cc1ccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000179678373 1429503602 /nfs/dbraw/zinc/50/36/02/1429503602.db2.gz KNYFVAWYDXLXPC-LEWJYISDSA-N 2 2 387.572 3.499 20 0 GGADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000179678387 1429503880 /nfs/dbraw/zinc/50/38/80/1429503880.db2.gz KNYFVAWYDXLXPC-SFTDATJTSA-N 2 2 387.572 3.499 20 0 GGADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000179678387 1429503884 /nfs/dbraw/zinc/50/38/84/1429503884.db2.gz KNYFVAWYDXLXPC-SFTDATJTSA-N 2 2 387.572 3.499 20 0 GGADLP CN(C(=O)Nc1ccc(F)nc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179696450 1429511377 /nfs/dbraw/zinc/51/13/77/1429511377.db2.gz NBLFYCIGJOFPMB-MSOLQXFVSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccc(F)nc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179696450 1429511383 /nfs/dbraw/zinc/51/13/83/1429511383.db2.gz NBLFYCIGJOFPMB-MSOLQXFVSA-N 2 2 377.508 3.022 20 0 GGADLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc(-n3cncn3)cc2)CCOCC1)c1ccccc1 ZINC000152365127 1422084320 /nfs/dbraw/zinc/08/43/20/1422084320.db2.gz JLJVRRIBVHBOMW-IBGZPJMESA-N 2 2 391.519 3.257 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000152427773 1422101143 /nfs/dbraw/zinc/10/11/43/1422101143.db2.gz RVIQTTLCIRGIGC-OAQYLSRUSA-N 2 2 397.567 3.388 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000152427773 1422101145 /nfs/dbraw/zinc/10/11/45/1422101145.db2.gz RVIQTTLCIRGIGC-OAQYLSRUSA-N 2 2 397.567 3.388 20 0 GGADLP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H]1n1cc[nH+]c1 ZINC000152552645 1422140704 /nfs/dbraw/zinc/14/07/04/1422140704.db2.gz RUNHMXXMPZFJTO-LAUBAEHRSA-N 2 2 399.514 3.279 20 0 GGADLP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)o1 ZINC000152654222 1422189857 /nfs/dbraw/zinc/18/98/57/1422189857.db2.gz HGKHYIJXCCWFJL-KRWDZBQOSA-N 2 2 398.503 3.324 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000152706155 1422216913 /nfs/dbraw/zinc/21/69/13/1422216913.db2.gz LISMQJZFGRZVCY-ZSYWTGECSA-N 2 2 375.561 3.232 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000152706155 1422216924 /nfs/dbraw/zinc/21/69/24/1422216924.db2.gz LISMQJZFGRZVCY-ZSYWTGECSA-N 2 2 375.561 3.232 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000179753154 1429539938 /nfs/dbraw/zinc/53/99/38/1429539938.db2.gz SLLZTFJOTYTSFL-UHFFFAOYSA-N 2 2 397.523 3.160 20 0 GGADLP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000152742054 1422232338 /nfs/dbraw/zinc/23/23/38/1422232338.db2.gz MYIYJRWMPZPHOE-QIJUGHKUSA-N 2 2 393.535 3.428 20 0 GGADLP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000152742054 1422232348 /nfs/dbraw/zinc/23/23/48/1422232348.db2.gz MYIYJRWMPZPHOE-QIJUGHKUSA-N 2 2 393.535 3.428 20 0 GGADLP C[C@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OCc2nccn2C)cc1 ZINC000152760011 1422239167 /nfs/dbraw/zinc/23/91/67/1422239167.db2.gz KAIAFMHZVGVDAN-KRWDZBQOSA-N 2 2 379.508 3.425 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[C@@H](C)[N@@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000152879067 1422281298 /nfs/dbraw/zinc/28/12/98/1422281298.db2.gz JLCJZEKDBOCKAI-WIYYLYMNSA-N 2 2 391.519 3.147 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N[C@@H]3C[C@@H](C)[N@H+](Cc4ccccc4)C3)[nH+]c12 ZINC000152879067 1422281310 /nfs/dbraw/zinc/28/13/10/1422281310.db2.gz JLCJZEKDBOCKAI-WIYYLYMNSA-N 2 2 391.519 3.147 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCc2c(F)cccc2C1 ZINC000152902581 1422290139 /nfs/dbraw/zinc/29/01/39/1422290139.db2.gz BMVGAXNCIABMBV-GOSISDBHSA-N 2 2 395.522 3.353 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCc2c(F)cccc2C1 ZINC000152902581 1422290142 /nfs/dbraw/zinc/29/01/42/1422290142.db2.gz BMVGAXNCIABMBV-GOSISDBHSA-N 2 2 395.522 3.353 20 0 GGADLP Cc1cccc(OC[C@@H](O)C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000152913482 1422294256 /nfs/dbraw/zinc/29/42/56/1422294256.db2.gz RJFIWBXYVYVZAS-QFIPXVFZSA-N 2 2 383.536 3.059 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)[NH+]2CCCC2)cc1 ZINC000152921779 1422296700 /nfs/dbraw/zinc/29/67/00/1422296700.db2.gz ZIYAHVNYQSPEEN-YADHBBJMSA-N 2 2 394.519 3.390 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000153231464 1422406466 /nfs/dbraw/zinc/40/64/66/1422406466.db2.gz OABMKDXXIIBLBH-HJNYFJLDSA-N 2 2 395.551 3.040 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000153231464 1422406490 /nfs/dbraw/zinc/40/64/90/1422406490.db2.gz OABMKDXXIIBLBH-HJNYFJLDSA-N 2 2 395.551 3.040 20 0 GGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)N(C)C ZINC000153340903 1422479283 /nfs/dbraw/zinc/47/92/83/1422479283.db2.gz ZYMQHOPRGOYEFT-NYVOZVTQSA-N 2 2 382.552 3.193 20 0 GGADLP COc1ccccc1[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)N(C)C ZINC000153340903 1422479289 /nfs/dbraw/zinc/47/92/89/1422479289.db2.gz ZYMQHOPRGOYEFT-NYVOZVTQSA-N 2 2 382.552 3.193 20 0 GGADLP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000153417463 1422524174 /nfs/dbraw/zinc/52/41/74/1422524174.db2.gz GXZLBGZAMCBCLA-QUCCMNQESA-N 2 2 378.520 3.267 20 0 GGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000153461438 1422550571 /nfs/dbraw/zinc/55/05/71/1422550571.db2.gz ZSNINUOJUQYLIX-IPMKNSEASA-N 2 2 375.561 3.376 20 0 GGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000153461438 1422550582 /nfs/dbraw/zinc/55/05/82/1422550582.db2.gz ZSNINUOJUQYLIX-IPMKNSEASA-N 2 2 375.561 3.376 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000153600623 1422640510 /nfs/dbraw/zinc/64/05/10/1422640510.db2.gz JXVDCACGOHWKSA-GIVPXCGWSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000153600623 1422640519 /nfs/dbraw/zinc/64/05/19/1422640519.db2.gz JXVDCACGOHWKSA-GIVPXCGWSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000153659607 1422684746 /nfs/dbraw/zinc/68/47/46/1422684746.db2.gz LFUHQGROYCACCH-VQIMIIECSA-N 2 2 394.441 3.090 20 0 GGADLP C[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000153659607 1422684756 /nfs/dbraw/zinc/68/47/56/1422684756.db2.gz LFUHQGROYCACCH-VQIMIIECSA-N 2 2 394.441 3.090 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153823258 1422780206 /nfs/dbraw/zinc/78/02/06/1422780206.db2.gz XHUMZGBIAFEIEP-FPOVZHCZSA-N 2 2 388.625 3.243 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000153823258 1422780230 /nfs/dbraw/zinc/78/02/30/1422780230.db2.gz XHUMZGBIAFEIEP-FPOVZHCZSA-N 2 2 388.625 3.243 20 0 GGADLP C[C@H]([NH2+]C1(C[NH2+]C2CCN(CC(F)F)CC2)CCOCC1)c1ccccc1 ZINC000153934586 1422813397 /nfs/dbraw/zinc/81/33/97/1422813397.db2.gz WIQZIDRRQWRPNR-KRWDZBQOSA-N 2 2 381.511 3.206 20 0 GGADLP OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000154065904 1422834642 /nfs/dbraw/zinc/83/46/42/1422834642.db2.gz WMVWPBFRPKLSOW-NOZRDPDXSA-N 2 2 393.575 3.124 20 0 GGADLP OC[C@H]1CCN(Cc2ccccc2)C[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000154065835 1422834679 /nfs/dbraw/zinc/83/46/79/1422834679.db2.gz WMVWPBFRPKLSOW-ILBGXUMGSA-N 2 2 393.575 3.124 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000154375019 1422880343 /nfs/dbraw/zinc/88/03/43/1422880343.db2.gz VINMHCONIOZERI-QUCCMNQESA-N 2 2 375.561 3.234 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)CC1 ZINC000154375348 1422880758 /nfs/dbraw/zinc/88/07/58/1422880758.db2.gz VINMHCONIOZERI-AZUAARDMSA-N 2 2 375.561 3.234 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000154527255 1422903445 /nfs/dbraw/zinc/90/34/45/1422903445.db2.gz NEXBPEMZANEBGT-JYRKZWEQSA-N 2 2 381.524 3.139 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000154527255 1422903465 /nfs/dbraw/zinc/90/34/65/1422903465.db2.gz NEXBPEMZANEBGT-JYRKZWEQSA-N 2 2 381.524 3.139 20 0 GGADLP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154532523 1422906522 /nfs/dbraw/zinc/90/65/22/1422906522.db2.gz NNLVKBLNTXIUMZ-NRFANRHFSA-N 2 2 382.508 3.285 20 0 GGADLP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000154532523 1422906544 /nfs/dbraw/zinc/90/65/44/1422906544.db2.gz NNLVKBLNTXIUMZ-NRFANRHFSA-N 2 2 382.508 3.285 20 0 GGADLP Cc1ccc2c(C[NH+]3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)cc(=O)oc2c1C ZINC000154546407 1422918780 /nfs/dbraw/zinc/91/87/80/1422918780.db2.gz BKICXOMTFOKUGO-RTBURBONSA-N 2 2 397.563 3.400 20 0 GGADLP Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)c(OCC[NH+](C)C)c1 ZINC000154595088 1422951792 /nfs/dbraw/zinc/95/17/92/1422951792.db2.gz BBRHKDFTEYPWRI-UHFFFAOYSA-N 2 2 397.523 3.252 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1F ZINC000154640683 1422977994 /nfs/dbraw/zinc/97/79/94/1422977994.db2.gz IMUIHPRZMIYTNB-NRFANRHFSA-N 2 2 387.474 3.307 20 0 GGADLP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1F ZINC000154640683 1422978007 /nfs/dbraw/zinc/97/80/07/1422978007.db2.gz IMUIHPRZMIYTNB-NRFANRHFSA-N 2 2 387.474 3.307 20 0 GGADLP COCOc1ccc(OC)cc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000179846674 1429608035 /nfs/dbraw/zinc/60/80/35/1429608035.db2.gz VLIQJAUSBJSONM-UHFFFAOYSA-N 2 2 384.520 3.475 20 0 GGADLP Cc1cc(C)n2c(nc(=S)n2C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000155068482 1423143927 /nfs/dbraw/zinc/14/39/27/1423143927.db2.gz RTQNDUOQDPYUKI-UHFFFAOYSA-N 2 2 388.585 3.423 20 0 GGADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000155135093 1423189450 /nfs/dbraw/zinc/18/94/50/1423189450.db2.gz FFPILNJPYLNJRS-HZPDHXFCSA-N 2 2 384.505 3.192 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccnc(Cl)c1 ZINC000155172899 1423212226 /nfs/dbraw/zinc/21/22/26/1423212226.db2.gz WUVAKFQFPRLUSI-INIZCTEOSA-N 2 2 375.900 3.297 20 0 GGADLP CC(C)CC1(CNC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000155181466 1423217337 /nfs/dbraw/zinc/21/73/37/1423217337.db2.gz XJMDNMMQFMHVTJ-UHFFFAOYSA-N 2 2 378.605 3.451 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000155294783 1423304160 /nfs/dbraw/zinc/30/41/60/1423304160.db2.gz MOBFZEDARLRUKX-QZTJIDSGSA-N 2 2 379.932 3.086 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000155294783 1423304174 /nfs/dbraw/zinc/30/41/74/1423304174.db2.gz MOBFZEDARLRUKX-QZTJIDSGSA-N 2 2 379.932 3.086 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000155364420 1423334101 /nfs/dbraw/zinc/33/41/01/1423334101.db2.gz SZRCYCKBXPEZAI-RHSMWYFYSA-N 2 2 387.446 3.179 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(F)(F)F)cc1 ZINC000155364420 1423334105 /nfs/dbraw/zinc/33/41/05/1423334105.db2.gz SZRCYCKBXPEZAI-RHSMWYFYSA-N 2 2 387.446 3.179 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000155370903 1423337919 /nfs/dbraw/zinc/33/79/19/1423337919.db2.gz PKBXOFWKBRHMCD-QZTJIDSGSA-N 2 2 399.457 3.105 20 0 GGADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000155370903 1423337929 /nfs/dbraw/zinc/33/79/29/1423337929.db2.gz PKBXOFWKBRHMCD-QZTJIDSGSA-N 2 2 399.457 3.105 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000155411465 1423352584 /nfs/dbraw/zinc/35/25/84/1423352584.db2.gz RHDWLSVVHNWJPP-NHCUHLMSSA-N 2 2 399.535 3.070 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000155411465 1423352596 /nfs/dbraw/zinc/35/25/96/1423352596.db2.gz RHDWLSVVHNWJPP-NHCUHLMSSA-N 2 2 399.535 3.070 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000155411354 1423353269 /nfs/dbraw/zinc/35/32/69/1423353269.db2.gz RHDWLSVVHNWJPP-RTWAWAEBSA-N 2 2 399.535 3.070 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000155411354 1423353285 /nfs/dbraw/zinc/35/32/85/1423353285.db2.gz RHDWLSVVHNWJPP-RTWAWAEBSA-N 2 2 399.535 3.070 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000179910464 1429636161 /nfs/dbraw/zinc/63/61/61/1429636161.db2.gz FXQGVQYQRZIPQL-HDICACEKSA-N 2 2 387.597 3.139 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cn(C)nc2-c2cccs2)CC1 ZINC000179910464 1429636162 /nfs/dbraw/zinc/63/61/62/1429636162.db2.gz FXQGVQYQRZIPQL-HDICACEKSA-N 2 2 387.597 3.139 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000155479969 1423380949 /nfs/dbraw/zinc/38/09/49/1423380949.db2.gz YPUFFFBDMJPMCM-BSIFCXSSSA-N 2 2 386.490 3.439 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000155479969 1423380957 /nfs/dbraw/zinc/38/09/57/1423380957.db2.gz YPUFFFBDMJPMCM-BSIFCXSSSA-N 2 2 386.490 3.439 20 0 GGADLP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)c2ccc(F)cc2C1=O ZINC000179917041 1429639779 /nfs/dbraw/zinc/63/97/79/1429639779.db2.gz FXANYDQSCZHYFR-UHFFFAOYSA-N 2 2 396.466 3.013 20 0 GGADLP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CN1C(=O)c2ccc(F)cc2C1=O ZINC000179917041 1429639785 /nfs/dbraw/zinc/63/97/85/1429639785.db2.gz FXANYDQSCZHYFR-UHFFFAOYSA-N 2 2 396.466 3.013 20 0 GGADLP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000155705657 1423496846 /nfs/dbraw/zinc/49/68/46/1423496846.db2.gz UJVBJGVSYOFHLT-FQEVSTJZSA-N 2 2 387.959 3.253 20 0 GGADLP CCN1CC[NH+](Cc2ccc(NC(=O)c3cccc(C[NH+](C)C)c3)cc2)CC1 ZINC000155757035 1423520932 /nfs/dbraw/zinc/52/09/32/1423520932.db2.gz NPSFBLCVNFPTBG-UHFFFAOYSA-N 2 2 380.536 3.138 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000155853688 1423562904 /nfs/dbraw/zinc/56/29/04/1423562904.db2.gz PHCUEJVECMGKOI-FQEVSTJZSA-N 2 2 385.556 3.232 20 0 GGADLP CC[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000156080098 1423663037 /nfs/dbraw/zinc/66/30/37/1423663037.db2.gz GHCAAMLTMLPUGB-IBGZPJMESA-N 2 2 382.499 3.083 20 0 GGADLP CC[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cc(F)ccc1F ZINC000156080098 1423663045 /nfs/dbraw/zinc/66/30/45/1423663045.db2.gz GHCAAMLTMLPUGB-IBGZPJMESA-N 2 2 382.499 3.083 20 0 GGADLP CC[C@H](CSC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179968060 1429667015 /nfs/dbraw/zinc/66/70/15/1429667015.db2.gz DMJUPAVCWOIKMK-NEWSRXKRSA-N 2 2 384.634 3.107 20 0 GGADLP CC[C@H](CSC)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179968060 1429667022 /nfs/dbraw/zinc/66/70/22/1429667022.db2.gz DMJUPAVCWOIKMK-NEWSRXKRSA-N 2 2 384.634 3.107 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156489631 1423817262 /nfs/dbraw/zinc/81/72/62/1423817262.db2.gz PXVXBDRWASZHSG-KEYYUXOJSA-N 2 2 376.888 3.455 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000156489631 1423817264 /nfs/dbraw/zinc/81/72/64/1423817264.db2.gz PXVXBDRWASZHSG-KEYYUXOJSA-N 2 2 376.888 3.455 20 0 GGADLP CN(C(=O)CSCC(F)(F)F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000156619665 1423836781 /nfs/dbraw/zinc/83/67/81/1423836781.db2.gz HNGUGXVXQFDTQH-CVEARBPZSA-N 2 2 395.535 3.078 20 0 GGADLP CN(C(=O)CSCC(F)(F)F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000156619665 1423836782 /nfs/dbraw/zinc/83/67/82/1423836782.db2.gz HNGUGXVXQFDTQH-CVEARBPZSA-N 2 2 395.535 3.078 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000157067955 1423916404 /nfs/dbraw/zinc/91/64/04/1423916404.db2.gz ZYKKUEUYROBXJD-BPQIPLTHSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000157067955 1423916407 /nfs/dbraw/zinc/91/64/07/1423916407.db2.gz ZYKKUEUYROBXJD-BPQIPLTHSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@@H]([N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000157067955 1423916411 /nfs/dbraw/zinc/91/64/11/1423916411.db2.gz ZYKKUEUYROBXJD-BPQIPLTHSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@@H]([N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000157067955 1423916414 /nfs/dbraw/zinc/91/64/14/1423916414.db2.gz ZYKKUEUYROBXJD-BPQIPLTHSA-N 2 2 383.458 3.135 20 0 GGADLP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000157183274 1423947601 /nfs/dbraw/zinc/94/76/01/1423947601.db2.gz HQFCENRWVIQRDV-GOSISDBHSA-N 2 2 394.585 3.107 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000157289499 1423976234 /nfs/dbraw/zinc/97/62/34/1423976234.db2.gz CGKDWSAQIAFQPI-SFHVURJKSA-N 2 2 380.536 3.003 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000157289499 1423976239 /nfs/dbraw/zinc/97/62/39/1423976239.db2.gz CGKDWSAQIAFQPI-SFHVURJKSA-N 2 2 380.536 3.003 20 0 GGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000157330883 1423986557 /nfs/dbraw/zinc/98/65/57/1423986557.db2.gz DNSSULJQXZSTLI-OLMNPRSZSA-N 2 2 383.458 3.441 20 0 GGADLP C[C@@H]1C[C@H]([NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000157330883 1423986562 /nfs/dbraw/zinc/98/65/62/1423986562.db2.gz DNSSULJQXZSTLI-OLMNPRSZSA-N 2 2 383.458 3.441 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000157484672 1424021274 /nfs/dbraw/zinc/02/12/74/1424021274.db2.gz CKDQWDXTHGMUAZ-HSZRJFAPSA-N 2 2 383.580 3.418 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCC(Cc2ccccc2)CC1 ZINC000157484672 1424021280 /nfs/dbraw/zinc/02/12/80/1424021280.db2.gz CKDQWDXTHGMUAZ-HSZRJFAPSA-N 2 2 383.580 3.418 20 0 GGADLP CC(C)n1ncc2cc(C[NH+]3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)cnc21 ZINC000157612867 1424049004 /nfs/dbraw/zinc/04/90/04/1424049004.db2.gz AVTSWJQZIWFVAY-OALUTQOASA-N 2 2 384.572 3.003 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000157611812 1424049385 /nfs/dbraw/zinc/04/93/85/1424049385.db2.gz ZJVXHBYMBBYBSR-YYWHXJBOSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@H](NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000157611812 1424049396 /nfs/dbraw/zinc/04/93/96/1424049396.db2.gz ZJVXHBYMBBYBSR-YYWHXJBOSA-N 2 2 387.572 3.121 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157712669 1424071033 /nfs/dbraw/zinc/07/10/33/1424071033.db2.gz HESCVMVCDAPDKY-SFHVURJKSA-N 2 2 385.487 3.171 20 0 GGADLP CC(C)N(C)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000157957406 1424128663 /nfs/dbraw/zinc/12/86/63/1424128663.db2.gz XMLZGTIRANFICQ-UHFFFAOYSA-N 2 2 393.551 3.160 20 0 GGADLP CC(C)N(C)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000157957406 1424128669 /nfs/dbraw/zinc/12/86/69/1424128669.db2.gz XMLZGTIRANFICQ-UHFFFAOYSA-N 2 2 393.551 3.160 20 0 GGADLP CCCOc1cc(C)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000157994571 1424136722 /nfs/dbraw/zinc/13/67/22/1424136722.db2.gz LCVHXEKLCDXXCJ-UHFFFAOYSA-N 2 2 376.545 3.274 20 0 GGADLP CCCOc1cc(C)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157994571 1424136728 /nfs/dbraw/zinc/13/67/28/1424136728.db2.gz LCVHXEKLCDXXCJ-UHFFFAOYSA-N 2 2 376.545 3.274 20 0 GGADLP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000158322026 1424226167 /nfs/dbraw/zinc/22/61/67/1424226167.db2.gz FTULGFCJGMGUNX-QHCPKHFHSA-N 2 2 393.531 3.498 20 0 GGADLP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](Cc4ccccc4)CCO3)c2C1 ZINC000158322026 1424226172 /nfs/dbraw/zinc/22/61/72/1424226172.db2.gz FTULGFCJGMGUNX-QHCPKHFHSA-N 2 2 393.531 3.498 20 0 GGADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@H+](Cc4ccccc4)CCO3)c2C1 ZINC000158322026 1424226176 /nfs/dbraw/zinc/22/61/76/1424226176.db2.gz FTULGFCJGMGUNX-QHCPKHFHSA-N 2 2 393.531 3.498 20 0 GGADLP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)c2C1 ZINC000158322026 1424226182 /nfs/dbraw/zinc/22/61/82/1424226182.db2.gz FTULGFCJGMGUNX-QHCPKHFHSA-N 2 2 393.531 3.498 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000158451649 1424258929 /nfs/dbraw/zinc/25/89/29/1424258929.db2.gz YPWLDZZHFUANNX-LJQANCHMSA-N 2 2 386.927 3.490 20 0 GGADLP C[C@H](CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[N@H+](C)Cc1ccccc1 ZINC000158478079 1424268252 /nfs/dbraw/zinc/26/82/52/1424268252.db2.gz MFZUZNGEXGRXNW-NQIIRXRSSA-N 2 2 382.508 3.155 20 0 GGADLP C[C@H](CCNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000158478079 1424268256 /nfs/dbraw/zinc/26/82/56/1424268256.db2.gz MFZUZNGEXGRXNW-NQIIRXRSSA-N 2 2 382.508 3.155 20 0 GGADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000158528774 1424280931 /nfs/dbraw/zinc/28/09/31/1424280931.db2.gz WMMFLPLYPYVJQN-AWEZNQCLSA-N 2 2 394.441 3.425 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000158546986 1424286265 /nfs/dbraw/zinc/28/62/65/1424286265.db2.gz HLQUJZDBRNEKTF-FHLIZLRMSA-N 2 2 397.441 3.107 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000158546986 1424286276 /nfs/dbraw/zinc/28/62/76/1424286276.db2.gz HLQUJZDBRNEKTF-FHLIZLRMSA-N 2 2 397.441 3.107 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000158546986 1424286284 /nfs/dbraw/zinc/28/62/84/1424286284.db2.gz HLQUJZDBRNEKTF-FHLIZLRMSA-N 2 2 397.441 3.107 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000158546986 1424286295 /nfs/dbraw/zinc/28/62/95/1424286295.db2.gz HLQUJZDBRNEKTF-FHLIZLRMSA-N 2 2 397.441 3.107 20 0 GGADLP Cc1cccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158619226 1424303300 /nfs/dbraw/zinc/30/33/00/1424303300.db2.gz RBZVHNRSEZGUBP-FCHUYYIVSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1cccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000158619226 1424303310 /nfs/dbraw/zinc/30/33/10/1424303310.db2.gz RBZVHNRSEZGUBP-FCHUYYIVSA-N 2 2 386.584 3.474 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000158713134 1424324948 /nfs/dbraw/zinc/32/49/48/1424324948.db2.gz BGBNNUFMWKICSM-AUSIDOKSSA-N 2 2 376.504 3.424 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000158799076 1424345699 /nfs/dbraw/zinc/34/56/99/1424345699.db2.gz CBJUBXPGAHUACI-YXJHDRRASA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000158799076 1424345709 /nfs/dbraw/zinc/34/57/09/1424345709.db2.gz CBJUBXPGAHUACI-YXJHDRRASA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000158799076 1424345717 /nfs/dbraw/zinc/34/57/17/1424345717.db2.gz CBJUBXPGAHUACI-YXJHDRRASA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000158799076 1424345721 /nfs/dbraw/zinc/34/57/21/1424345721.db2.gz CBJUBXPGAHUACI-YXJHDRRASA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158877617 1424362366 /nfs/dbraw/zinc/36/23/66/1424362366.db2.gz CDPRXTYEYURSSO-CKEIUWERSA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158877617 1424362370 /nfs/dbraw/zinc/36/23/70/1424362370.db2.gz CDPRXTYEYURSSO-CKEIUWERSA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158877617 1424362373 /nfs/dbraw/zinc/36/23/73/1424362373.db2.gz CDPRXTYEYURSSO-CKEIUWERSA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158877617 1424362381 /nfs/dbraw/zinc/36/23/81/1424362381.db2.gz CDPRXTYEYURSSO-CKEIUWERSA-N 2 2 385.430 3.328 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000158975458 1424385137 /nfs/dbraw/zinc/38/51/37/1424385137.db2.gz YZJSSSOGQSDKJW-UHFFFAOYSA-N 2 2 382.468 3.021 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccccc1 ZINC000159145532 1424427720 /nfs/dbraw/zinc/42/77/20/1424427720.db2.gz IMYRPXAHKKCDAM-FQEVSTJZSA-N 2 2 393.491 3.387 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000159168091 1424433479 /nfs/dbraw/zinc/43/34/79/1424433479.db2.gz AFISDMYFTASBJG-SFHVURJKSA-N 3 2 390.535 3.178 20 0 GGADLP C[C@@H](CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C[NH+]1CCCCC1 ZINC000159189856 1424439711 /nfs/dbraw/zinc/43/97/11/1424439711.db2.gz RDSPTTYKZDBWNW-SFHVURJKSA-N 2 2 385.512 3.206 20 0 GGADLP Cc1ccc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(Br)c1 ZINC000159951339 1424555759 /nfs/dbraw/zinc/55/57/59/1424555759.db2.gz YHJVPXGQBGMJSL-UHFFFAOYSA-N 2 2 389.341 3.194 20 0 GGADLP CN(C(=O)NCCSC(C)(C)C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000160609486 1424618986 /nfs/dbraw/zinc/61/89/86/1424618986.db2.gz ZZNGRJBUCASNLX-OALUTQOASA-N 2 2 398.661 3.497 20 0 GGADLP CN(C(=O)NCCSC(C)(C)C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000160609486 1424618993 /nfs/dbraw/zinc/61/89/93/1424618993.db2.gz ZZNGRJBUCASNLX-OALUTQOASA-N 2 2 398.661 3.497 20 0 GGADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCCNc2cccc[nH+]2)CC1 ZINC000180119332 1429745427 /nfs/dbraw/zinc/74/54/27/1429745427.db2.gz NMNUHHBRQBTMKK-UHFFFAOYSA-N 3 2 387.959 3.469 20 0 GGADLP C[C@H]1Oc2ccc(C(=O)C3CC[NH+](CCC[NH+]4CCCCC4)CC3)cc2NC1=O ZINC000161772938 1424760630 /nfs/dbraw/zinc/76/06/30/1424760630.db2.gz SACPJUMOFSOHEY-QGZVFWFLSA-N 2 2 399.535 3.177 20 0 GGADLP CCSCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000161855607 1424780030 /nfs/dbraw/zinc/78/00/30/1424780030.db2.gz KXYLJIVANWYABW-IHPCNDPISA-N 2 2 398.661 3.497 20 0 GGADLP CCSCC[C@H](C)NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000161855607 1424780039 /nfs/dbraw/zinc/78/00/39/1424780039.db2.gz KXYLJIVANWYABW-IHPCNDPISA-N 2 2 398.661 3.497 20 0 GGADLP CCN(Cc1ccccc1)C(=O)C[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1 ZINC000161931659 1424799851 /nfs/dbraw/zinc/79/98/51/1424799851.db2.gz AGQCMRPKYBICKW-UHFFFAOYSA-N 2 2 394.563 3.360 20 0 GGADLP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)c1 ZINC000162005369 1424807680 /nfs/dbraw/zinc/80/76/80/1424807680.db2.gz XBRHOLUWVIWZDV-GOSISDBHSA-N 2 2 397.519 3.207 20 0 GGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCOc3ccccc32)c1 ZINC000162032972 1424810533 /nfs/dbraw/zinc/81/05/33/1424810533.db2.gz MXGQPAPIZIUKQJ-NRFANRHFSA-N 2 2 382.504 3.401 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccnc(Cl)c1 ZINC000162032599 1424810592 /nfs/dbraw/zinc/81/05/92/1424810592.db2.gz UYDZCLBZTHIBSM-INIZCTEOSA-N 2 2 375.900 3.297 20 0 GGADLP CC(C)C1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162087820 1424814791 /nfs/dbraw/zinc/81/47/91/1424814791.db2.gz VWQJDKYDOBCEFU-VQTJNVASSA-N 2 2 378.605 3.401 20 0 GGADLP CC(C)C1(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162087820 1424814793 /nfs/dbraw/zinc/81/47/93/1424814793.db2.gz VWQJDKYDOBCEFU-VQTJNVASSA-N 2 2 378.605 3.401 20 0 GGADLP CC(C)C1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162088216 1424815262 /nfs/dbraw/zinc/81/52/62/1424815262.db2.gz VWQJDKYDOBCEFU-UXHICEINSA-N 2 2 378.605 3.401 20 0 GGADLP CC(C)C1(CNC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162088216 1424815266 /nfs/dbraw/zinc/81/52/66/1424815266.db2.gz VWQJDKYDOBCEFU-UXHICEINSA-N 2 2 378.605 3.401 20 0 GGADLP CC(C)C1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162088095 1424815312 /nfs/dbraw/zinc/81/53/12/1424815312.db2.gz VWQJDKYDOBCEFU-WOJBJXKFSA-N 2 2 378.605 3.401 20 0 GGADLP CC(C)C1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162088095 1424815314 /nfs/dbraw/zinc/81/53/14/1424815314.db2.gz VWQJDKYDOBCEFU-WOJBJXKFSA-N 2 2 378.605 3.401 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1-c1ncco1 ZINC000162110720 1424817404 /nfs/dbraw/zinc/81/74/04/1424817404.db2.gz DWAISCHVGNSJEC-UHFFFAOYSA-N 2 2 385.512 3.140 20 0 GGADLP Cc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1-c1ncco1 ZINC000162110720 1424817407 /nfs/dbraw/zinc/81/74/07/1424817407.db2.gz DWAISCHVGNSJEC-UHFFFAOYSA-N 2 2 385.512 3.140 20 0 GGADLP COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(C)[nH+]c3N(C)C)CC2)cc1 ZINC000162369057 1424842744 /nfs/dbraw/zinc/84/27/44/1424842744.db2.gz HFGBGCMJOMSEDN-UHFFFAOYSA-N 2 2 397.523 3.204 20 0 GGADLP COc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C)[nH+]c3N(C)C)CC2)cc1 ZINC000162369057 1424842745 /nfs/dbraw/zinc/84/27/45/1424842745.db2.gz HFGBGCMJOMSEDN-UHFFFAOYSA-N 2 2 397.523 3.204 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(N2CCOCC2)[nH+]c1C)CC(C)C ZINC000162465250 1424855779 /nfs/dbraw/zinc/85/57/79/1424855779.db2.gz NDJQTFASMRSZBG-GOSISDBHSA-N 2 2 391.560 3.105 20 0 GGADLP CN(C(=O)NCc1cccs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162582797 1424868828 /nfs/dbraw/zinc/86/88/28/1424868828.db2.gz ZDRQDXGGJFHPSJ-OALUTQOASA-N 2 2 378.586 3.227 20 0 GGADLP CN(C(=O)NCc1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162582797 1424868829 /nfs/dbraw/zinc/86/88/29/1424868829.db2.gz ZDRQDXGGJFHPSJ-OALUTQOASA-N 2 2 378.586 3.227 20 0 GGADLP CN(C(=O)NCC1(C2CC2)CC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000162662303 1424876806 /nfs/dbraw/zinc/87/68/06/1424876806.db2.gz CGRWZZIVMGKMSK-PMACEKPBSA-N 2 2 376.589 3.155 20 0 GGADLP CN(C(=O)NCC1(C2CC2)CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000162662303 1424876810 /nfs/dbraw/zinc/87/68/10/1424876810.db2.gz CGRWZZIVMGKMSK-PMACEKPBSA-N 2 2 376.589 3.155 20 0 GGADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)cc1 ZINC000162888277 1424899712 /nfs/dbraw/zinc/89/97/12/1424899712.db2.gz MEHBCMFBFIOEMI-MRXNPFEDSA-N 2 2 376.526 3.386 20 0 GGADLP CC[S@@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)C1 ZINC000162939706 1424909719 /nfs/dbraw/zinc/90/97/19/1424909719.db2.gz VHFNTVCLIHSFQG-COKJOHSESA-N 2 2 377.598 3.391 20 0 GGADLP CCc1nn(C)c(CC)c1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000162988720 1424918334 /nfs/dbraw/zinc/91/83/34/1424918334.db2.gz RIQUQECAWXJVCE-UHFFFAOYSA-N 2 2 389.975 3.240 20 0 GGADLP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000163334881 1424981156 /nfs/dbraw/zinc/98/11/56/1424981156.db2.gz FTNFXQNOBVMDNQ-FQEVSTJZSA-N 2 2 381.524 3.002 20 0 GGADLP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163529952 1425012659 /nfs/dbraw/zinc/01/26/59/1425012659.db2.gz ATXNNYBALBFQEW-GOSISDBHSA-N 3 2 397.567 3.150 20 0 GGADLP COc1ccccc1[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000163576250 1425020226 /nfs/dbraw/zinc/02/02/26/1425020226.db2.gz VMJHGUNYDQYOND-XLIONFOSSA-N 2 2 387.549 3.346 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000163695802 1425035452 /nfs/dbraw/zinc/03/54/52/1425035452.db2.gz DMMWZXXNULSBCF-GOSISDBHSA-N 2 2 395.503 3.326 20 0 GGADLP COCCOc1ccc([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000163706559 1425036141 /nfs/dbraw/zinc/03/61/41/1425036141.db2.gz KTCQKZZYXROTFO-IBGZPJMESA-N 2 2 384.520 3.395 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000163707179 1425036739 /nfs/dbraw/zinc/03/67/39/1425036739.db2.gz CJQBKWRJMGRQOO-FQEVSTJZSA-N 3 2 397.563 3.310 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000163814887 1425047590 /nfs/dbraw/zinc/04/75/90/1425047590.db2.gz WEZNXVWVICLWBG-HNNXBMFYSA-N 2 2 378.586 3.446 20 0 GGADLP [NH3+][C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000163992707 1425067042 /nfs/dbraw/zinc/06/70/42/1425067042.db2.gz GPHONIYWXBOPQP-LJQANCHMSA-N 2 2 391.437 3.440 20 0 GGADLP [NH3+][C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1ccccc1 ZINC000163992707 1425067048 /nfs/dbraw/zinc/06/70/48/1425067048.db2.gz GPHONIYWXBOPQP-LJQANCHMSA-N 2 2 391.437 3.440 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000164754698 1425139731 /nfs/dbraw/zinc/13/97/31/1425139731.db2.gz ZUFPQWDEKXSCKK-HBGVWJBISA-N 2 2 388.471 3.251 20 0 GGADLP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000164754698 1425139741 /nfs/dbraw/zinc/13/97/41/1425139741.db2.gz ZUFPQWDEKXSCKK-HBGVWJBISA-N 2 2 388.471 3.251 20 0 GGADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000165220660 1425171307 /nfs/dbraw/zinc/17/13/07/1425171307.db2.gz QPSNETFHNPLEIM-OAHLLOKOSA-N 2 2 389.952 3.322 20 0 GGADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165538129 1425183170 /nfs/dbraw/zinc/18/31/70/1425183170.db2.gz DFILWDDVRPNRNP-FCHUYYIVSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1ccc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165538129 1425183175 /nfs/dbraw/zinc/18/31/75/1425183175.db2.gz DFILWDDVRPNRNP-FCHUYYIVSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165546116 1425184194 /nfs/dbraw/zinc/18/41/94/1425184194.db2.gz HMGVHMJGXNUVHP-IAGOWNOFSA-N 2 2 379.574 3.252 20 0 GGADLP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165546116 1425184201 /nfs/dbraw/zinc/18/42/01/1425184201.db2.gz HMGVHMJGXNUVHP-IAGOWNOFSA-N 2 2 379.574 3.252 20 0 GGADLP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165545937 1425184343 /nfs/dbraw/zinc/18/43/43/1425184343.db2.gz HMGVHMJGXNUVHP-DLBZAZTESA-N 2 2 379.574 3.252 20 0 GGADLP Cc1cnc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165545937 1425184349 /nfs/dbraw/zinc/18/43/49/1425184349.db2.gz HMGVHMJGXNUVHP-DLBZAZTESA-N 2 2 379.574 3.252 20 0 GGADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165538260 1425184369 /nfs/dbraw/zinc/18/43/69/1425184369.db2.gz DFILWDDVRPNRNP-VXKWHMMOSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1ccc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165538260 1425184375 /nfs/dbraw/zinc/18/43/75/1425184375.db2.gz DFILWDDVRPNRNP-VXKWHMMOSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165546228 1425185017 /nfs/dbraw/zinc/18/50/17/1425185017.db2.gz HMGVHMJGXNUVHP-SJORKVTESA-N 2 2 379.574 3.252 20 0 GGADLP Cc1cnc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000165546228 1425185023 /nfs/dbraw/zinc/18/50/23/1425185023.db2.gz HMGVHMJGXNUVHP-SJORKVTESA-N 2 2 379.574 3.252 20 0 GGADLP COc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000165547572 1425185084 /nfs/dbraw/zinc/18/50/84/1425185084.db2.gz VDZDDSNBRVCIDO-PMACEKPBSA-N 2 2 388.556 3.496 20 0 GGADLP COc1ccccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000165547572 1425185090 /nfs/dbraw/zinc/18/50/90/1425185090.db2.gz VDZDDSNBRVCIDO-PMACEKPBSA-N 2 2 388.556 3.496 20 0 GGADLP CSc1nnc(CCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)n1CC(C)C ZINC000165682533 1425191765 /nfs/dbraw/zinc/19/17/65/1425191765.db2.gz OVGJDHKNLWFIAQ-UHFFFAOYSA-N 2 2 388.585 3.242 20 0 GGADLP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000166099020 1425206755 /nfs/dbraw/zinc/20/67/55/1425206755.db2.gz YBORMILNNORNSN-AVRDEDQJSA-N 2 2 386.584 3.309 20 0 GGADLP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)CC1 ZINC000166099020 1425206756 /nfs/dbraw/zinc/20/67/56/1425206756.db2.gz YBORMILNNORNSN-AVRDEDQJSA-N 2 2 386.584 3.309 20 0 GGADLP CC(C)c1ccc(C[C@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000166293258 1425210272 /nfs/dbraw/zinc/21/02/72/1425210272.db2.gz JNKZFRILJAUBMK-IBGZPJMESA-N 2 2 388.600 3.408 20 0 GGADLP CC(C)c1ccc(C[C@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000166293258 1425210278 /nfs/dbraw/zinc/21/02/78/1425210278.db2.gz JNKZFRILJAUBMK-IBGZPJMESA-N 2 2 388.600 3.408 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@H]3CCN(c4ncccc4F)C3)CC2)cc1 ZINC000168189267 1425236027 /nfs/dbraw/zinc/23/60/27/1425236027.db2.gz XGIGZEZJFOATKF-SFHVURJKSA-N 2 2 383.515 3.124 20 0 GGADLP OCC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000168941257 1425241280 /nfs/dbraw/zinc/24/12/80/1425241280.db2.gz PLAMSBUVNTXPQA-LJQANCHMSA-N 2 2 398.016 3.247 20 0 GGADLP Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000170643117 1425272165 /nfs/dbraw/zinc/27/21/65/1425272165.db2.gz ROEVREWTEIBBCR-NRFANRHFSA-N 2 2 398.576 3.350 20 0 GGADLP Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000170643117 1425272177 /nfs/dbraw/zinc/27/21/77/1425272177.db2.gz ROEVREWTEIBBCR-NRFANRHFSA-N 2 2 398.576 3.350 20 0 GGADLP O=C(c1ccc(F)cc1)N1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000170643245 1425272272 /nfs/dbraw/zinc/27/22/72/1425272272.db2.gz FBCKMPLAYXDWAI-UHFFFAOYSA-N 2 2 378.451 3.360 20 0 GGADLP O=C(c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000170643245 1425272278 /nfs/dbraw/zinc/27/22/78/1425272278.db2.gz FBCKMPLAYXDWAI-UHFFFAOYSA-N 2 2 378.451 3.360 20 0 GGADLP O=C(CCCC[NH+]1CCOCC1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000170685012 1425297958 /nfs/dbraw/zinc/29/79/58/1425297958.db2.gz KEWNNMQAIBUVNV-FQEVSTJZSA-N 2 2 393.959 3.096 20 0 GGADLP Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3)CC2)c(C)o1 ZINC000170776212 1425336443 /nfs/dbraw/zinc/33/64/43/1425336443.db2.gz HXOPFIDJFURCOU-UHFFFAOYSA-N 2 2 378.476 3.477 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(CC3CC3)C3CCCCC3)CC2)CC1 ZINC000170814269 1425352005 /nfs/dbraw/zinc/35/20/05/1425352005.db2.gz LWTTZTHSASOOFF-UHFFFAOYSA-N 2 2 376.589 3.299 20 0 GGADLP C[C@H]([C@H](C)NC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000170887685 1425380768 /nfs/dbraw/zinc/38/07/68/1425380768.db2.gz RSAYJDZDFRWSPU-VQTJNVASSA-N 2 2 395.547 3.158 20 0 GGADLP C[C@H]([C@H](C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[NH+]1CCOCC1 ZINC000170887685 1425380774 /nfs/dbraw/zinc/38/07/74/1425380774.db2.gz RSAYJDZDFRWSPU-VQTJNVASSA-N 2 2 395.547 3.158 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000171011768 1425435474 /nfs/dbraw/zinc/43/54/74/1425435474.db2.gz MJKQBNFYUGPVEI-UHFFFAOYSA-N 2 2 395.551 3.234 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000171011768 1425435478 /nfs/dbraw/zinc/43/54/78/1425435478.db2.gz MJKQBNFYUGPVEI-UHFFFAOYSA-N 2 2 395.551 3.234 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171199555 1425536504 /nfs/dbraw/zinc/53/65/04/1425536504.db2.gz RSMBBBJTXDHSJG-UHFFFAOYSA-N 2 2 381.524 3.326 20 0 GGADLP C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000171343778 1425626955 /nfs/dbraw/zinc/62/69/55/1425626955.db2.gz FINPAMXTAORMAZ-UHFFFAOYSA-N 2 2 378.476 3.133 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)c1 ZINC000171586918 1425747140 /nfs/dbraw/zinc/74/71/40/1425747140.db2.gz HPAVAFOTIQXPJX-SFHVURJKSA-N 2 2 381.520 3.276 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000171612087 1425758568 /nfs/dbraw/zinc/75/85/68/1425758568.db2.gz NEOSVKSAVHCHCF-UHFFFAOYSA-N 2 2 395.551 3.280 20 0 GGADLP CC(C)(CNC(=O)NCCCCNc1cccc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000171633244 1425766566 /nfs/dbraw/zinc/76/65/66/1425766566.db2.gz PPPXKOSLHYNWFH-UHFFFAOYSA-N 2 2 395.551 3.410 20 0 GGADLP CC(C)(CNC(=O)NCCCCNc1cccc[nH+]1)[N@H+]1CCc2ccccc2C1 ZINC000171633244 1425766573 /nfs/dbraw/zinc/76/65/73/1425766573.db2.gz PPPXKOSLHYNWFH-UHFFFAOYSA-N 2 2 395.551 3.410 20 0 GGADLP CC[NH+]1CCC(n2nccc2NC(=O)/C=C/c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000171641024 1425769649 /nfs/dbraw/zinc/76/96/49/1425769649.db2.gz WFRRUEDMRZCXBF-VMPITWQZSA-N 2 2 390.491 3.378 20 0 GGADLP C[NH+](C)[C@@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000171810659 1425826431 /nfs/dbraw/zinc/82/64/31/1425826431.db2.gz GIYHCFLVDKEHHU-YJBOKZPZSA-N 2 2 389.931 3.054 20 0 GGADLP OC[C@H]1CCCN(c2cc(NCC3CC[NH+](Cc4ccccc4)CC3)nc[nH+]2)C1 ZINC000171863928 1425838063 /nfs/dbraw/zinc/83/80/63/1425838063.db2.gz MUWALPCMKHHTBM-NRFANRHFSA-N 2 2 395.551 3.009 20 0 GGADLP OC[C@H]1CCCN(c2cc(NCC3CC[NH+](Cc4ccccc4)CC3)[nH+]cn2)C1 ZINC000171863928 1425838066 /nfs/dbraw/zinc/83/80/66/1425838066.db2.gz MUWALPCMKHHTBM-NRFANRHFSA-N 2 2 395.551 3.009 20 0 GGADLP CCCCOc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1OC ZINC000171924861 1425853741 /nfs/dbraw/zinc/85/37/41/1425853741.db2.gz NGQGAQOZRCRWDR-UHFFFAOYSA-N 2 2 375.557 3.088 20 0 GGADLP CCCOc1c(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cccc1OCC ZINC000171924848 1425853958 /nfs/dbraw/zinc/85/39/58/1425853958.db2.gz CDEHKSWALNTKKL-UHFFFAOYSA-N 2 2 375.557 3.088 20 0 GGADLP Cc1cc(N2CCC(C(=O)NCC[NH+](C(C)C)C(C)C)CC2)nc(C2CC2)[nH+]1 ZINC000172014709 1425874138 /nfs/dbraw/zinc/87/41/38/1425874138.db2.gz QGCZRQLHDBVBNG-UHFFFAOYSA-N 2 2 387.572 3.114 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172534532 1426076127 /nfs/dbraw/zinc/07/61/27/1426076127.db2.gz GYMFKEYXEFNWAY-UHFFFAOYSA-N 2 2 395.551 3.134 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172534532 1426076137 /nfs/dbraw/zinc/07/61/37/1426076137.db2.gz GYMFKEYXEFNWAY-UHFFFAOYSA-N 2 2 395.551 3.134 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172566551 1426091306 /nfs/dbraw/zinc/09/13/06/1426091306.db2.gz UQCBKOMMIQKSTQ-UHFFFAOYSA-N 2 2 385.487 3.171 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172566551 1426091313 /nfs/dbraw/zinc/09/13/13/1426091313.db2.gz UQCBKOMMIQKSTQ-UHFFFAOYSA-N 2 2 385.487 3.171 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)CCn2cnc3ccccc3c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000172574699 1426094032 /nfs/dbraw/zinc/09/40/32/1426094032.db2.gz UEWCYKXUWKBGEP-PZJWPPBQSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@H]1C[C@H]([NH+](C)CCn2cnc3ccccc3c2=O)CC[N@H+]1Cc1ccccc1 ZINC000172574699 1426094039 /nfs/dbraw/zinc/09/40/39/1426094039.db2.gz UEWCYKXUWKBGEP-PZJWPPBQSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@H]1C[C@H]([N@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1Cc1ccccc1 ZINC000172574699 1426094049 /nfs/dbraw/zinc/09/40/49/1426094049.db2.gz UEWCYKXUWKBGEP-PZJWPPBQSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@H]1C[C@H]([N@@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1Cc1ccccc1 ZINC000172574699 1426094055 /nfs/dbraw/zinc/09/40/55/1426094055.db2.gz UEWCYKXUWKBGEP-PZJWPPBQSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)CCn2cnc3ccccc3c2=O)CC[N@@H+]1Cc1ccccc1 ZINC000172574703 1426094645 /nfs/dbraw/zinc/09/46/45/1426094645.db2.gz UEWCYKXUWKBGEP-CTNGQTDRSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)CCn2cnc3ccccc3c2=O)CC[N@H+]1Cc1ccccc1 ZINC000172574703 1426094653 /nfs/dbraw/zinc/09/46/53/1426094653.db2.gz UEWCYKXUWKBGEP-CTNGQTDRSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@@H]1C[C@@H]([N@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1Cc1ccccc1 ZINC000172574703 1426094658 /nfs/dbraw/zinc/09/46/58/1426094658.db2.gz UEWCYKXUWKBGEP-CTNGQTDRSA-N 2 2 390.531 3.381 20 0 GGADLP C[C@@H]1C[C@@H]([N@@H+](C)CCn2cnc3ccccc3c2=O)CC[NH+]1Cc1ccccc1 ZINC000172574703 1426094665 /nfs/dbraw/zinc/09/46/65/1426094665.db2.gz UEWCYKXUWKBGEP-CTNGQTDRSA-N 2 2 390.531 3.381 20 0 GGADLP COc1cc(C2(C(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)CC2)ccc1C ZINC000172753795 1426173906 /nfs/dbraw/zinc/17/39/06/1426173906.db2.gz YFFRCOZWQJKAMC-UHFFFAOYSA-N 2 2 399.579 3.102 20 0 GGADLP CCCOc1ccc(CCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000172929618 1426268106 /nfs/dbraw/zinc/26/81/06/1426268106.db2.gz FVSZOUPOXCSBME-UHFFFAOYSA-N 2 2 387.568 3.083 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)/C=C/c3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000172929612 1426268139 /nfs/dbraw/zinc/26/81/39/1426268139.db2.gz UQQVQHICEGFFAJ-AATRIKPKSA-N 2 2 390.597 3.129 20 0 GGADLP C[C@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000173140851 1426361948 /nfs/dbraw/zinc/36/19/48/1426361948.db2.gz IEUFPYJIDPUFJW-IBGZPJMESA-N 2 2 381.524 3.190 20 0 GGADLP C[C@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000173140851 1426361954 /nfs/dbraw/zinc/36/19/54/1426361954.db2.gz IEUFPYJIDPUFJW-IBGZPJMESA-N 2 2 381.524 3.190 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000173259159 1426437932 /nfs/dbraw/zinc/43/79/32/1426437932.db2.gz DNKIMYWCVKWFEX-UHFFFAOYSA-N 2 2 397.523 3.364 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000173259159 1426437943 /nfs/dbraw/zinc/43/79/43/1426437943.db2.gz DNKIMYWCVKWFEX-UHFFFAOYSA-N 2 2 397.523 3.364 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)cn2c1 ZINC000173270142 1426448245 /nfs/dbraw/zinc/44/82/45/1426448245.db2.gz MNDSZHMXWRIDSR-SFHVURJKSA-N 2 2 386.565 3.257 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CC[N@@H+](CC4CCCC4)C3)cn2c1 ZINC000173270142 1426448246 /nfs/dbraw/zinc/44/82/46/1426448246.db2.gz MNDSZHMXWRIDSR-SFHVURJKSA-N 2 2 386.565 3.257 20 0 GGADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173370282 1426543069 /nfs/dbraw/zinc/54/30/69/1426543069.db2.gz FNYUTIOXSXFIBB-GOSISDBHSA-N 2 2 390.434 3.317 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000173429633 1426611245 /nfs/dbraw/zinc/61/12/45/1426611245.db2.gz ZCZRMUVUPLHJMB-GOSISDBHSA-N 2 2 377.920 3.227 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173584301 1426748654 /nfs/dbraw/zinc/74/86/54/1426748654.db2.gz JFSKIEVKYYROPO-FQEVSTJZSA-N 2 2 399.579 3.191 20 0 GGADLP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173584301 1426748663 /nfs/dbraw/zinc/74/86/63/1426748663.db2.gz JFSKIEVKYYROPO-FQEVSTJZSA-N 2 2 399.579 3.191 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173643308 1426808076 /nfs/dbraw/zinc/80/80/76/1426808076.db2.gz BLWQDOYZYAEDTB-IRXDYDNUSA-N 2 2 388.581 3.449 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173643308 1426808080 /nfs/dbraw/zinc/80/80/80/1426808080.db2.gz BLWQDOYZYAEDTB-IRXDYDNUSA-N 2 2 388.581 3.449 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643308 1426808081 /nfs/dbraw/zinc/80/80/81/1426808081.db2.gz BLWQDOYZYAEDTB-IRXDYDNUSA-N 2 2 388.581 3.449 20 0 GGADLP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173643308 1426808084 /nfs/dbraw/zinc/80/80/84/1426808084.db2.gz BLWQDOYZYAEDTB-IRXDYDNUSA-N 2 2 388.581 3.449 20 0 GGADLP CC(C)[C@@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000173863388 1426874410 /nfs/dbraw/zinc/87/44/10/1426874410.db2.gz CMUSAMOZQDIEIS-IBGZPJMESA-N 2 2 393.622 3.247 20 0 GGADLP CC(C)[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000173863388 1426874414 /nfs/dbraw/zinc/87/44/14/1426874414.db2.gz CMUSAMOZQDIEIS-IBGZPJMESA-N 2 2 393.622 3.247 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2ccccc2C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)C1 ZINC000173885594 1426881265 /nfs/dbraw/zinc/88/12/65/1426881265.db2.gz OVYMLUOFWOXPCW-FGZHOGPDSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2ccccc2C[NH+]2CC[C@H](C[N@H+](C)CC)C2)C1 ZINC000173885594 1426881268 /nfs/dbraw/zinc/88/12/68/1426881268.db2.gz OVYMLUOFWOXPCW-FGZHOGPDSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000173885594 1426881271 /nfs/dbraw/zinc/88/12/71/1426881271.db2.gz OVYMLUOFWOXPCW-FGZHOGPDSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)C1 ZINC000173885594 1426881273 /nfs/dbraw/zinc/88/12/73/1426881273.db2.gz OVYMLUOFWOXPCW-FGZHOGPDSA-N 4 2 386.628 3.234 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@@H+]3CC[C@H](C[NH+](C)CC)C3)cc(=O)oc2c1 ZINC000173888011 1426881943 /nfs/dbraw/zinc/88/19/43/1426881943.db2.gz RMRRWFSFDVLQCL-OAHLLOKOSA-N 2 2 387.480 3.135 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[N@H+]3CC[C@H](C[NH+](C)CC)C3)cc(=O)oc2c1 ZINC000173888011 1426881945 /nfs/dbraw/zinc/88/19/45/1426881945.db2.gz RMRRWFSFDVLQCL-OAHLLOKOSA-N 2 2 387.480 3.135 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[NH+]3CC[C@H](C[N@H+](C)CC)C3)cc(=O)oc2c1 ZINC000173888011 1426881949 /nfs/dbraw/zinc/88/19/49/1426881949.db2.gz RMRRWFSFDVLQCL-OAHLLOKOSA-N 2 2 387.480 3.135 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[NH+]3CC[C@H](C[N@@H+](C)CC)C3)cc(=O)oc2c1 ZINC000173888011 1426881950 /nfs/dbraw/zinc/88/19/50/1426881950.db2.gz RMRRWFSFDVLQCL-OAHLLOKOSA-N 2 2 387.480 3.135 20 0 GGADLP CC[N@@H+](Cc1nc2ccsc2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971695 1426916500 /nfs/dbraw/zinc/91/65/00/1426916500.db2.gz FNQLPMRIPJQXLX-UHFFFAOYSA-N 2 2 383.521 3.118 20 0 GGADLP CC[N@H+](Cc1nc2ccsc2c(=O)[nH]1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971695 1426916504 /nfs/dbraw/zinc/91/65/04/1426916504.db2.gz FNQLPMRIPJQXLX-UHFFFAOYSA-N 2 2 383.521 3.118 20 0 GGADLP CC[N@@H+](Cc1cc(=O)n2c(C)csc2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971713 1426916839 /nfs/dbraw/zinc/91/68/39/1426916839.db2.gz CNZNVJWRCRBGLX-UHFFFAOYSA-N 2 2 397.548 3.198 20 0 GGADLP CC[N@H+](Cc1cc(=O)n2c(C)csc2n1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173971713 1426916850 /nfs/dbraw/zinc/91/68/50/1426916850.db2.gz CNZNVJWRCRBGLX-UHFFFAOYSA-N 2 2 397.548 3.198 20 0 GGADLP CN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174169396 1427030697 /nfs/dbraw/zinc/03/06/97/1427030697.db2.gz UZQSWJVAEIZBPW-HXUWFJFHSA-N 2 2 381.524 3.190 20 0 GGADLP CN(C(=O)NCCCNc1cccc[nH+]1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000174169396 1427030704 /nfs/dbraw/zinc/03/07/04/1427030704.db2.gz UZQSWJVAEIZBPW-HXUWFJFHSA-N 2 2 381.524 3.190 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Oc4ccccc4)ccn3)CC2)CC1 ZINC000174267137 1427076312 /nfs/dbraw/zinc/07/63/12/1427076312.db2.gz UMAGBZRJINPKQP-UHFFFAOYSA-N 2 2 394.519 3.162 20 0 GGADLP CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000174294781 1427089430 /nfs/dbraw/zinc/08/94/30/1427089430.db2.gz VUBQSPDKQLNSHF-AWEZNQCLSA-N 2 2 381.542 3.023 20 0 GGADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000174296259 1427090200 /nfs/dbraw/zinc/09/02/00/1427090200.db2.gz ODCIVXLPSNNKRV-QGZVFWFLSA-N 2 2 385.430 3.153 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2cccc3ccccc32)CC1 ZINC000174302276 1427092471 /nfs/dbraw/zinc/09/24/71/1427092471.db2.gz SNNDBTDISQAXRD-QZTJIDSGSA-N 2 2 383.536 3.106 20 0 GGADLP CC(C)C1CCC([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000174384470 1427131445 /nfs/dbraw/zinc/13/14/45/1427131445.db2.gz HLJMMWMYTSZBRS-SOAGJPPSSA-N 2 2 387.572 3.086 20 0 GGADLP CC[N@H+](C[C@@H](O)COc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395408 1427136959 /nfs/dbraw/zinc/13/69/59/1427136959.db2.gz NTIGEADMUMBQLX-LJQANCHMSA-N 2 2 387.499 3.199 20 0 GGADLP CC[N@@H+](C[C@@H](O)COc1ccccc1F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395408 1427136967 /nfs/dbraw/zinc/13/69/67/1427136967.db2.gz NTIGEADMUMBQLX-LJQANCHMSA-N 2 2 387.499 3.199 20 0 GGADLP CC[N@@H+](CC(=O)N(C)Cc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395351 1427137025 /nfs/dbraw/zinc/13/70/25/1427137025.db2.gz OKVBBYMXBJYUDP-UHFFFAOYSA-N 2 2 398.526 3.418 20 0 GGADLP CC[N@H+](CC(=O)N(C)Cc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395351 1427137034 /nfs/dbraw/zinc/13/70/34/1427137034.db2.gz OKVBBYMXBJYUDP-UHFFFAOYSA-N 2 2 398.526 3.418 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174396626 1427137462 /nfs/dbraw/zinc/13/74/62/1427137462.db2.gz SKPNHAKSPVYAAZ-JTHBVZDNSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174396626 1427137470 /nfs/dbraw/zinc/13/74/70/1427137470.db2.gz SKPNHAKSPVYAAZ-JTHBVZDNSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174396626 1427137477 /nfs/dbraw/zinc/13/74/77/1427137477.db2.gz SKPNHAKSPVYAAZ-JTHBVZDNSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174396626 1427137486 /nfs/dbraw/zinc/13/74/86/1427137486.db2.gz SKPNHAKSPVYAAZ-JTHBVZDNSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174396636 1427137754 /nfs/dbraw/zinc/13/77/54/1427137754.db2.gz SKPNHAKSPVYAAZ-GMAHTHKFSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174396636 1427137762 /nfs/dbraw/zinc/13/77/62/1427137762.db2.gz SKPNHAKSPVYAAZ-GMAHTHKFSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174396636 1427137768 /nfs/dbraw/zinc/13/77/68/1427137768.db2.gz SKPNHAKSPVYAAZ-GMAHTHKFSA-N 2 2 396.531 3.083 20 0 GGADLP CC(=O)c1cccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174396636 1427137774 /nfs/dbraw/zinc/13/77/74/1427137774.db2.gz SKPNHAKSPVYAAZ-GMAHTHKFSA-N 2 2 396.531 3.083 20 0 GGADLP COc1ccccc1CN(C)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174399224 1427138645 /nfs/dbraw/zinc/13/86/45/1427138645.db2.gz UGXZJFRTSBKDAD-OAQYLSRUSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccccc1CN(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174399224 1427138653 /nfs/dbraw/zinc/13/86/53/1427138653.db2.gz UGXZJFRTSBKDAD-OAQYLSRUSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccccc1CN(C)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174399224 1427138664 /nfs/dbraw/zinc/13/86/64/1427138664.db2.gz UGXZJFRTSBKDAD-OAQYLSRUSA-N 2 2 395.547 3.108 20 0 GGADLP COc1ccccc1CN(C)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174399224 1427138673 /nfs/dbraw/zinc/13/86/73/1427138673.db2.gz UGXZJFRTSBKDAD-OAQYLSRUSA-N 2 2 395.547 3.108 20 0 GGADLP C[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(F)c1 ZINC000174404099 1427142400 /nfs/dbraw/zinc/14/24/00/1427142400.db2.gz AMJQFTZTGHUOIC-QGZVFWFLSA-N 2 2 375.532 3.069 20 0 GGADLP COc1cccc(CN(C)C(=O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174404430 1427143498 /nfs/dbraw/zinc/14/34/98/1427143498.db2.gz XOFRUYWULGWZMT-QFIPXVFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1cccc(CN(C)C(=O)C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174404430 1427143502 /nfs/dbraw/zinc/14/35/02/1427143502.db2.gz XOFRUYWULGWZMT-QFIPXVFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1cccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174404430 1427143512 /nfs/dbraw/zinc/14/35/12/1427143512.db2.gz XOFRUYWULGWZMT-QFIPXVFZSA-N 2 2 395.547 3.108 20 0 GGADLP COc1cccc(CN(C)C(=O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174404430 1427143521 /nfs/dbraw/zinc/14/35/21/1427143521.db2.gz XOFRUYWULGWZMT-QFIPXVFZSA-N 2 2 395.547 3.108 20 0 GGADLP C[NH+]1CCC(CNC(=O)Nc2nc3c(s2)CCCC3)([NH+]2CCCCC2)CC1 ZINC000174501268 1427185968 /nfs/dbraw/zinc/18/59/68/1427185968.db2.gz AKFQZJAVUUPULY-UHFFFAOYSA-N 2 2 391.585 3.094 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000174603542 1427253751 /nfs/dbraw/zinc/25/37/51/1427253751.db2.gz QVLWIZMFVPBGDO-UHFFFAOYSA-N 2 2 387.572 3.085 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000174603542 1427253757 /nfs/dbraw/zinc/25/37/57/1427253757.db2.gz QVLWIZMFVPBGDO-UHFFFAOYSA-N 2 2 387.572 3.085 20 0 GGADLP C[N@H+](CCC(=O)Nc1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655036 1427290641 /nfs/dbraw/zinc/29/06/41/1427290641.db2.gz PDOBMQMBMWTOHH-UHFFFAOYSA-N 2 2 384.499 3.188 20 0 GGADLP C[N@@H+](CCC(=O)Nc1ccccc1F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174655036 1427290650 /nfs/dbraw/zinc/29/06/50/1427290650.db2.gz PDOBMQMBMWTOHH-UHFFFAOYSA-N 2 2 384.499 3.188 20 0 GGADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000174715764 1427327399 /nfs/dbraw/zinc/32/73/99/1427327399.db2.gz WOTLECHSDAPVSR-QFIPXVFZSA-N 2 2 398.526 3.075 20 0 GGADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 ZINC000174715764 1427327403 /nfs/dbraw/zinc/32/74/03/1427327403.db2.gz WOTLECHSDAPVSR-QFIPXVFZSA-N 2 2 398.526 3.075 20 0 GGADLP C[C@H](CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000175161383 1427575374 /nfs/dbraw/zinc/57/53/74/1427575374.db2.gz TUEBIUPGPZBCMP-QUCCMNQESA-N 2 2 383.540 3.008 20 0 GGADLP C[C@H](CCNc1cc(N2CCC[C@H](CO)C2)nc[nH+]1)[N@@H+](C)Cc1ccccc1 ZINC000175161383 1427575379 /nfs/dbraw/zinc/57/53/79/1427575379.db2.gz TUEBIUPGPZBCMP-QUCCMNQESA-N 2 2 383.540 3.008 20 0 GGADLP C[C@H](CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[N@H+](C)Cc1ccccc1 ZINC000175161383 1427575385 /nfs/dbraw/zinc/57/53/85/1427575385.db2.gz TUEBIUPGPZBCMP-QUCCMNQESA-N 2 2 383.540 3.008 20 0 GGADLP C[C@H](CCNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)[N@@H+](C)Cc1ccccc1 ZINC000175161383 1427575389 /nfs/dbraw/zinc/57/53/89/1427575389.db2.gz TUEBIUPGPZBCMP-QUCCMNQESA-N 2 2 383.540 3.008 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175180673 1427586672 /nfs/dbraw/zinc/58/66/72/1427586672.db2.gz KSYQMOSTQHMFHW-FQEVSTJZSA-N 2 2 385.556 3.136 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000175180673 1427586681 /nfs/dbraw/zinc/58/66/81/1427586681.db2.gz KSYQMOSTQHMFHW-FQEVSTJZSA-N 2 2 385.556 3.136 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000175180656 1427586735 /nfs/dbraw/zinc/58/67/35/1427586735.db2.gz KSYQMOSTQHMFHW-HXUWFJFHSA-N 2 2 385.556 3.136 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000175180656 1427586741 /nfs/dbraw/zinc/58/67/41/1427586741.db2.gz KSYQMOSTQHMFHW-HXUWFJFHSA-N 2 2 385.556 3.136 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175210926 1427603520 /nfs/dbraw/zinc/60/35/20/1427603520.db2.gz YNQMUVWDMQBMIQ-QZTJIDSGSA-N 2 2 399.539 3.403 20 0 GGADLP Cc1cnc([C@H](C)[NH2+][C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000175238216 1427619811 /nfs/dbraw/zinc/61/98/11/1427619811.db2.gz PRQFKOAOWFMUBC-IRXDYDNUSA-N 2 2 386.565 3.271 20 0 GGADLP Cc1ccc(N2CCC(NC(=O)N3CC[NH+](CCC(C)(C)C)CC3)CC2)[nH+]c1 ZINC000175276029 1427642411 /nfs/dbraw/zinc/64/24/11/1427642411.db2.gz DSKFXPHZLWVJJC-UHFFFAOYSA-N 2 2 387.572 3.122 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000175348112 1427696035 /nfs/dbraw/zinc/69/60/35/1427696035.db2.gz IHXTZWTWAAZBCI-UHFFFAOYSA-N 2 2 387.572 3.239 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000175358284 1427703631 /nfs/dbraw/zinc/70/36/31/1427703631.db2.gz XZWNGSQZYSDTOR-UHFFFAOYSA-N 2 2 397.523 3.491 20 0 GGADLP C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000175409825 1427738897 /nfs/dbraw/zinc/73/88/97/1427738897.db2.gz HKKNECGSWKWVFX-PGRDOPGGSA-N 2 2 384.568 3.133 20 0 GGADLP CCCOc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000175428149 1427749691 /nfs/dbraw/zinc/74/96/91/1427749691.db2.gz YZHGGAHCLPYUQM-UHFFFAOYSA-N 2 2 376.545 3.274 20 0 GGADLP CCCOc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(C)c1 ZINC000175428149 1427749695 /nfs/dbraw/zinc/74/96/95/1427749695.db2.gz YZHGGAHCLPYUQM-UHFFFAOYSA-N 2 2 376.545 3.274 20 0 GGADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)NCCCCn3cc[nH+]c3C)CC2)c1 ZINC000175462803 1427768205 /nfs/dbraw/zinc/76/82/05/1427768205.db2.gz XTEMQEMOIGZQFE-GOSISDBHSA-N 2 2 399.539 3.069 20 0 GGADLP CC[C@@H](C)Oc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000175582172 1427821569 /nfs/dbraw/zinc/82/15/69/1427821569.db2.gz RMFNIOSJADEBOH-QGZVFWFLSA-N 2 2 376.545 3.354 20 0 GGADLP CC[C@@H](C)Oc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000175582172 1427821571 /nfs/dbraw/zinc/82/15/71/1427821571.db2.gz RMFNIOSJADEBOH-QGZVFWFLSA-N 2 2 376.545 3.354 20 0 GGADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000175629445 1427837715 /nfs/dbraw/zinc/83/77/15/1427837715.db2.gz VUHJKVUMMJCUIP-RTBURBONSA-N 2 2 398.551 3.290 20 0 GGADLP C[C@H]1C[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175628954 1427837765 /nfs/dbraw/zinc/83/77/65/1427837765.db2.gz DPNPVSOBEJLXGI-AZUAARDMSA-N 2 2 381.524 3.283 20 0 GGADLP C[C@H]1C[C@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175628954 1427837771 /nfs/dbraw/zinc/83/77/71/1427837771.db2.gz DPNPVSOBEJLXGI-AZUAARDMSA-N 2 2 381.524 3.283 20 0 GGADLP CC[C@H](Oc1ccccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000176218116 1428174059 /nfs/dbraw/zinc/17/40/59/1428174059.db2.gz UEZIJWDOSZDQSM-IBGZPJMESA-N 2 2 393.959 3.172 20 0 GGADLP CC(C)[C@@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000180173963 1429781043 /nfs/dbraw/zinc/78/10/43/1429781043.db2.gz JDJFJLVLFZRFQB-NFBKMPQASA-N 2 2 395.551 3.269 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000180214464 1429804008 /nfs/dbraw/zinc/80/40/08/1429804008.db2.gz JQXQLYHLGRAJQF-RDTXWAMCSA-N 2 2 390.890 3.273 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000180214464 1429804011 /nfs/dbraw/zinc/80/40/11/1429804011.db2.gz JQXQLYHLGRAJQF-RDTXWAMCSA-N 2 2 390.890 3.273 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000180214444 1429804099 /nfs/dbraw/zinc/80/40/99/1429804099.db2.gz JQXQLYHLGRAJQF-KBXCAEBGSA-N 2 2 390.890 3.273 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000180214444 1429804102 /nfs/dbraw/zinc/80/41/02/1429804102.db2.gz JQXQLYHLGRAJQF-KBXCAEBGSA-N 2 2 390.890 3.273 20 0 GGADLP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)C1 ZINC000180579061 1429907870 /nfs/dbraw/zinc/90/78/70/1429907870.db2.gz QKVQPMPPGDVECY-UHFFFAOYSA-N 2 2 399.491 3.014 20 0 GGADLP CCOc1cccc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)c1 ZINC000180664960 1429963766 /nfs/dbraw/zinc/96/37/66/1429963766.db2.gz PZRYXXUZDLWNON-QGZVFWFLSA-N 2 2 387.549 3.142 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](Cc2cccnc2)C2CC2)CC1 ZINC000180735706 1430008614 /nfs/dbraw/zinc/00/86/14/1430008614.db2.gz PSEMWTNZXFZLPO-UHFFFAOYSA-N 2 2 392.547 3.135 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccnc2)C2CC2)CC1 ZINC000180735706 1430008624 /nfs/dbraw/zinc/00/86/24/1430008624.db2.gz PSEMWTNZXFZLPO-UHFFFAOYSA-N 2 2 392.547 3.135 20 0 GGADLP Cc1ccc(-c2ccc(C(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)s2)o1 ZINC000180740501 1430010666 /nfs/dbraw/zinc/01/06/66/1430010666.db2.gz MYLIDPDMDWXPTQ-UHFFFAOYSA-N 2 2 375.538 3.415 20 0 GGADLP Cc1ccc(-c2ccc(C(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)s2)o1 ZINC000180740501 1430010674 /nfs/dbraw/zinc/01/06/74/1430010674.db2.gz MYLIDPDMDWXPTQ-UHFFFAOYSA-N 2 2 375.538 3.415 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000180759541 1430023064 /nfs/dbraw/zinc/02/30/64/1430023064.db2.gz GNSXRHLWMBTGML-UGKGYDQZSA-N 2 2 392.547 3.251 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000180759541 1430023072 /nfs/dbraw/zinc/02/30/72/1430023072.db2.gz GNSXRHLWMBTGML-UGKGYDQZSA-N 2 2 392.547 3.251 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000180759520 1430023390 /nfs/dbraw/zinc/02/33/90/1430023390.db2.gz GNSXRHLWMBTGML-KNQAVFIVSA-N 2 2 392.547 3.251 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCC(=O)N1CCc2ccccc21 ZINC000180759520 1430023392 /nfs/dbraw/zinc/02/33/92/1430023392.db2.gz GNSXRHLWMBTGML-KNQAVFIVSA-N 2 2 392.547 3.251 20 0 GGADLP CCC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000180779714 1430034183 /nfs/dbraw/zinc/03/41/83/1430034183.db2.gz LAROYGDHSPPEIT-SFTDATJTSA-N 2 2 395.551 3.413 20 0 GGADLP CC[C@H]([NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccs1 ZINC000180779844 1430034392 /nfs/dbraw/zinc/03/43/92/1430034392.db2.gz IMQIEURLNXISDV-SJORKVTESA-N 2 2 387.553 3.084 20 0 GGADLP CC[C@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCCCC1 ZINC000180781641 1430036030 /nfs/dbraw/zinc/03/60/30/1430036030.db2.gz NAHXSXXYKIRQIP-PMACEKPBSA-N 2 2 387.572 3.231 20 0 GGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C ZINC000180782612 1430036606 /nfs/dbraw/zinc/03/66/06/1430036606.db2.gz NVOSQKRUNXDSRP-CTNGQTDRSA-N 2 2 395.551 3.250 20 0 GGADLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C ZINC000180782578 1430036694 /nfs/dbraw/zinc/03/66/94/1430036694.db2.gz NVOSQKRUNXDSRP-TZIWHRDSSA-N 2 2 395.551 3.250 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180785891 1430039199 /nfs/dbraw/zinc/03/91/99/1430039199.db2.gz KMKIEBSNHHPUTJ-YLJYHZDGSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000180785891 1430039209 /nfs/dbraw/zinc/03/92/09/1430039209.db2.gz KMKIEBSNHHPUTJ-YLJYHZDGSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000180785891 1430039221 /nfs/dbraw/zinc/03/92/21/1430039221.db2.gz KMKIEBSNHHPUTJ-YLJYHZDGSA-N 2 2 394.519 3.297 20 0 GGADLP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000180785891 1430039229 /nfs/dbraw/zinc/03/92/29/1430039229.db2.gz KMKIEBSNHHPUTJ-YLJYHZDGSA-N 2 2 394.519 3.297 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889405 1430092049 /nfs/dbraw/zinc/09/20/49/1430092049.db2.gz NYEPWFWULQKIGH-KRWDZBQOSA-N 2 2 399.501 3.322 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889405 1430092056 /nfs/dbraw/zinc/09/20/56/1430092056.db2.gz NYEPWFWULQKIGH-KRWDZBQOSA-N 2 2 399.501 3.322 20 0 GGADLP C[C@@H](CN1CCOCC1)[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889405 1430092063 /nfs/dbraw/zinc/09/20/63/1430092063.db2.gz NYEPWFWULQKIGH-KRWDZBQOSA-N 2 2 399.501 3.322 20 0 GGADLP C[C@@H](CN1CCOCC1)[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000180889405 1430092067 /nfs/dbraw/zinc/09/20/67/1430092067.db2.gz NYEPWFWULQKIGH-KRWDZBQOSA-N 2 2 399.501 3.322 20 0 GGADLP Cc1cc(-c2noc([C@H](C)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)n2)ccc1F ZINC000180958316 1430135873 /nfs/dbraw/zinc/13/58/73/1430135873.db2.gz FYDFILNHNIFEIX-INIZCTEOSA-N 2 2 389.519 3.203 20 0 GGADLP Cc1cc(-c2noc([C@H](C)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)n2)ccc1F ZINC000180958316 1430135886 /nfs/dbraw/zinc/13/58/86/1430135886.db2.gz FYDFILNHNIFEIX-INIZCTEOSA-N 2 2 389.519 3.203 20 0 GGADLP CCOc1ccc(-c2nc(CN(C)CC[N@H+](C)C3CC[NH+](C)CC3)co2)cc1 ZINC000180965121 1430139918 /nfs/dbraw/zinc/13/99/18/1430139918.db2.gz WNDDZXUXRZFZMB-UHFFFAOYSA-N 2 2 386.540 3.198 20 0 GGADLP CCOc1ccc(-c2nc(CN(C)CC[N@@H+](C)C3CC[NH+](C)CC3)co2)cc1 ZINC000180965121 1430139925 /nfs/dbraw/zinc/13/99/25/1430139925.db2.gz WNDDZXUXRZFZMB-UHFFFAOYSA-N 2 2 386.540 3.198 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180997650 1430158770 /nfs/dbraw/zinc/15/87/70/1430158770.db2.gz BIFVLHNQGUYKSI-GOSISDBHSA-N 3 2 391.519 3.015 20 0 GGADLP C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000181072460 1430197943 /nfs/dbraw/zinc/19/79/43/1430197943.db2.gz ZUSDVHZFTPWDHV-CQSZACIVSA-N 2 2 387.484 3.495 20 0 GGADLP C[C@H](C(=O)Nc1nc(-c2ccc(F)cc2)cs1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000181072460 1430197949 /nfs/dbraw/zinc/19/79/49/1430197949.db2.gz ZUSDVHZFTPWDHV-CQSZACIVSA-N 2 2 387.484 3.495 20 0 GGADLP COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181081125 1430202525 /nfs/dbraw/zinc/20/25/25/1430202525.db2.gz DMZLYXSDTVHTSC-OAHLLOKOSA-N 2 2 399.520 3.364 20 0 GGADLP COc1ccc(-c2csc(NC(=O)[C@@H](C)[N@@H+](C)CCCn3cc[nH+]c3)n2)cc1 ZINC000181081125 1430202534 /nfs/dbraw/zinc/20/25/34/1430202534.db2.gz DMZLYXSDTVHTSC-OAHLLOKOSA-N 2 2 399.520 3.364 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000181081813 1430203402 /nfs/dbraw/zinc/20/34/02/1430203402.db2.gz FFIUWJNIKOZBOH-QFIPXVFZSA-N 2 2 394.544 3.441 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 ZINC000181081813 1430203413 /nfs/dbraw/zinc/20/34/13/1430203413.db2.gz FFIUWJNIKOZBOH-QFIPXVFZSA-N 2 2 394.544 3.441 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000181089167 1430205538 /nfs/dbraw/zinc/20/55/38/1430205538.db2.gz UFBYKBYQNVLAIB-UHFFFAOYSA-N 2 2 397.504 3.158 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000181089167 1430205554 /nfs/dbraw/zinc/20/55/54/1430205554.db2.gz UFBYKBYQNVLAIB-UHFFFAOYSA-N 2 2 397.504 3.158 20 0 GGADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccccn1 ZINC000181315746 1430271407 /nfs/dbraw/zinc/27/14/07/1430271407.db2.gz BAZDTHIAPACOON-LJQANCHMSA-N 2 2 388.515 3.230 20 0 GGADLP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000181384175 1430285651 /nfs/dbraw/zinc/28/56/51/1430285651.db2.gz YLSKFGZZSPDQQE-MRXNPFEDSA-N 2 2 389.565 3.323 20 0 GGADLP O=C1c2ccccc2C(=O)N1CCCCCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000181416242 1430292951 /nfs/dbraw/zinc/29/29/51/1430292951.db2.gz MKJNSIXVWIRRDZ-UHFFFAOYSA-N 2 2 380.492 3.377 20 0 GGADLP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)C[C@H](C)O1 ZINC000181415884 1430292998 /nfs/dbraw/zinc/29/29/98/1430292998.db2.gz IMZONLLDHVBRGV-IRXDYDNUSA-N 2 2 387.572 3.202 20 0 GGADLP CC[NH+](CC)CCCC1CC[NH+](Cn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1 ZINC000181459228 1430304501 /nfs/dbraw/zinc/30/45/01/1430304501.db2.gz MBPXYUDVAGCCQK-UHFFFAOYSA-N 2 2 390.484 3.294 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000181471137 1430306862 /nfs/dbraw/zinc/30/68/62/1430306862.db2.gz JYXAQPOPZWCBBZ-IEBWSBKVSA-N 2 2 397.485 3.470 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000181471137 1430306863 /nfs/dbraw/zinc/30/68/63/1430306863.db2.gz JYXAQPOPZWCBBZ-IEBWSBKVSA-N 2 2 397.485 3.470 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000181471137 1430306864 /nfs/dbraw/zinc/30/68/64/1430306864.db2.gz JYXAQPOPZWCBBZ-IEBWSBKVSA-N 2 2 397.485 3.470 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000181471137 1430306865 /nfs/dbraw/zinc/30/68/65/1430306865.db2.gz JYXAQPOPZWCBBZ-IEBWSBKVSA-N 2 2 397.485 3.470 20 0 GGADLP CC1(C)[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCCO[C@@H]21 ZINC000181531776 1430316295 /nfs/dbraw/zinc/31/62/95/1430316295.db2.gz GIQIUUCGNQRQRJ-ZLNRFVROSA-N 2 2 385.596 3.378 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000181588921 1430324065 /nfs/dbraw/zinc/32/40/65/1430324065.db2.gz QHRSXUPTWQWSJT-SJORKVTESA-N 2 2 387.549 3.361 20 0 GGADLP COc1ccc([C@H](CNC(=O)C[NH2+][C@H](C)c2ccccn2)[NH+]2CCCCC2)cc1 ZINC000182177982 1430424838 /nfs/dbraw/zinc/42/48/38/1430424838.db2.gz ARBIJNCACBAVJI-GCJKJVERSA-N 2 2 396.535 3.084 20 0 GGADLP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc(F)c(F)c1 ZINC000182231963 1430433927 /nfs/dbraw/zinc/43/39/27/1430433927.db2.gz BRYKORTZAIGATI-NRFANRHFSA-N 2 2 376.447 3.274 20 0 GGADLP COC(=O)c1ccccc1OCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000182337280 1430450443 /nfs/dbraw/zinc/45/04/43/1430450443.db2.gz PHLZYJGRNJBPNU-UHFFFAOYSA-N 2 2 382.504 3.448 20 0 GGADLP COC(=O)c1ccccc1OCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000182337280 1430450444 /nfs/dbraw/zinc/45/04/44/1430450444.db2.gz PHLZYJGRNJBPNU-UHFFFAOYSA-N 2 2 382.504 3.448 20 0 GGADLP C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182395366 1430459286 /nfs/dbraw/zinc/45/92/86/1430459286.db2.gz XKVJAEIFMBQXDF-GHTZIAJQSA-N 2 2 395.551 3.384 20 0 GGADLP C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182395366 1430459291 /nfs/dbraw/zinc/45/92/91/1430459291.db2.gz XKVJAEIFMBQXDF-GHTZIAJQSA-N 2 2 395.551 3.384 20 0 GGADLP C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182558796 1430491814 /nfs/dbraw/zinc/49/18/14/1430491814.db2.gz RNAOTQMKUFDYSH-MJGOQNOKSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182558796 1430491817 /nfs/dbraw/zinc/49/18/17/1430491817.db2.gz RNAOTQMKUFDYSH-MJGOQNOKSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182558754 1430491850 /nfs/dbraw/zinc/49/18/50/1430491850.db2.gz RNAOTQMKUFDYSH-IEBWSBKVSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182558754 1430491852 /nfs/dbraw/zinc/49/18/52/1430491852.db2.gz RNAOTQMKUFDYSH-IEBWSBKVSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182563476 1430493386 /nfs/dbraw/zinc/49/33/86/1430493386.db2.gz UMUGZXAGUNCGMA-IEBWSBKVSA-N 2 2 381.524 3.325 20 0 GGADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182563476 1430493389 /nfs/dbraw/zinc/49/33/89/1430493389.db2.gz UMUGZXAGUNCGMA-IEBWSBKVSA-N 2 2 381.524 3.325 20 0 GGADLP CC(C)OCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182775905 1430537865 /nfs/dbraw/zinc/53/78/65/1430537865.db2.gz UCAQGKODYVEJJN-NHCUHLMSSA-N 2 2 396.620 3.170 20 0 GGADLP CC(C)OCCCCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182775905 1430537875 /nfs/dbraw/zinc/53/78/75/1430537875.db2.gz UCAQGKODYVEJJN-NHCUHLMSSA-N 2 2 396.620 3.170 20 0 GGADLP C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000182810159 1430544396 /nfs/dbraw/zinc/54/43/96/1430544396.db2.gz BTTIZFGHFBHVNZ-QGZVFWFLSA-N 2 2 383.517 3.121 20 0 GGADLP FC(F)(F)c1ccc2nnc([C@H]3CCC[N@H+](CCCn4cc[nH+]c4)C3)n2c1 ZINC000182870052 1430557720 /nfs/dbraw/zinc/55/77/20/1430557720.db2.gz RCXAJEAWRLSEGV-AWEZNQCLSA-N 2 2 378.402 3.214 20 0 GGADLP FC(F)(F)c1ccc2nnc([C@H]3CCC[N@@H+](CCCn4cc[nH+]c4)C3)n2c1 ZINC000182870052 1430557731 /nfs/dbraw/zinc/55/77/31/1430557731.db2.gz RCXAJEAWRLSEGV-AWEZNQCLSA-N 2 2 378.402 3.214 20 0 GGADLP COc1ccc(-c2nc(CN3CC[NH+](CCCn4cc[nH+]c4)CC3)cs2)cc1 ZINC000182871834 1430558670 /nfs/dbraw/zinc/55/86/70/1430558670.db2.gz RTHXOEZTFSUDBV-UHFFFAOYSA-N 2 2 397.548 3.223 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961941 1430580985 /nfs/dbraw/zinc/58/09/85/1430580985.db2.gz ZMHYBBCJRAJOKL-KRWDZBQOSA-N 2 2 393.959 3.491 20 0 GGADLP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1cccc(Cl)c1 ZINC000182961841 1430581051 /nfs/dbraw/zinc/58/10/51/1430581051.db2.gz IHVMPPKXVOONLS-UHFFFAOYSA-N 2 2 379.932 3.103 20 0 GGADLP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182961986 1430581296 /nfs/dbraw/zinc/58/12/96/1430581296.db2.gz OEAPELRMMSRXKD-INIZCTEOSA-N 2 2 395.494 3.116 20 0 GGADLP Cc1cccc(Cl)c1NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182964154 1430581987 /nfs/dbraw/zinc/58/19/87/1430581987.db2.gz JLZDLDCNINJNIG-UHFFFAOYSA-N 2 2 393.959 3.411 20 0 GGADLP Cc1nc(C[N@H+](C)CCCN2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000182965912 1430582405 /nfs/dbraw/zinc/58/24/05/1430582405.db2.gz QXWJCCNFRPMVSS-UHFFFAOYSA-N 2 2 376.932 3.373 20 0 GGADLP Cc1nc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)oc1-c1ccc(Cl)cc1 ZINC000182965912 1430582408 /nfs/dbraw/zinc/58/24/08/1430582408.db2.gz QXWJCCNFRPMVSS-UHFFFAOYSA-N 2 2 376.932 3.373 20 0 GGADLP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182983948 1430585292 /nfs/dbraw/zinc/58/52/92/1430585292.db2.gz GCPGYQMKUPYAOC-LJQANCHMSA-N 2 2 383.540 3.153 20 0 GGADLP Cc1ccccc1Cc1nnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)o1 ZINC000182987850 1430586401 /nfs/dbraw/zinc/58/64/01/1430586401.db2.gz QBBKTZAYGYEYNP-UHFFFAOYSA-N 2 2 398.551 3.293 20 0 GGADLP Cc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c(C)s1 ZINC000182989708 1430586588 /nfs/dbraw/zinc/58/65/88/1430586588.db2.gz FUEPNHRDLLRTIA-MRXNPFEDSA-N 2 2 387.549 3.486 20 0 GGADLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000183116489 1430618307 /nfs/dbraw/zinc/61/83/07/1430618307.db2.gz RBXDYPJMEVNVFT-IBGZPJMESA-N 2 2 382.556 3.198 20 0 GGADLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000183116489 1430618311 /nfs/dbraw/zinc/61/83/11/1430618311.db2.gz RBXDYPJMEVNVFT-IBGZPJMESA-N 2 2 382.556 3.198 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183176739 1430639319 /nfs/dbraw/zinc/63/93/19/1430639319.db2.gz FWOGTLXGQRQCHS-HKUYNNGSSA-N 2 2 376.545 3.187 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183176739 1430639326 /nfs/dbraw/zinc/63/93/26/1430639326.db2.gz FWOGTLXGQRQCHS-HKUYNNGSSA-N 2 2 376.545 3.187 20 0 GGADLP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000183258923 1430662103 /nfs/dbraw/zinc/66/21/03/1430662103.db2.gz YFSPDTMYKXUXKB-IRXDYDNUSA-N 2 2 382.570 3.155 20 0 GGADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000183401882 1430702235 /nfs/dbraw/zinc/70/22/35/1430702235.db2.gz JJOHKRQUDPUKQP-QFIPXVFZSA-N 2 2 376.504 3.344 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]Cc2nnc3n2CCCC3)cc1C[NH+]1CCCCC1 ZINC000183857597 1430805757 /nfs/dbraw/zinc/80/57/57/1430805757.db2.gz OCFMHQDKZLBOSV-QGZVFWFLSA-N 2 2 383.540 3.460 20 0 GGADLP CCC[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000184328401 1430873751 /nfs/dbraw/zinc/87/37/51/1430873751.db2.gz ONCMWFWOZDCAOF-PSWRPDDJSA-N 2 2 393.616 3.377 20 0 GGADLP CCC[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCO1 ZINC000184328401 1430873752 /nfs/dbraw/zinc/87/37/52/1430873752.db2.gz ONCMWFWOZDCAOF-PSWRPDDJSA-N 2 2 393.616 3.377 20 0 GGADLP CC(C)[C@H]1CCC[C@H](NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000184445378 1430888791 /nfs/dbraw/zinc/88/87/91/1430888791.db2.gz DMMBYYJQPJOPJT-OALUTQOASA-N 2 2 378.605 3.449 20 0 GGADLP CC1(C(=O)N2CCN(c3cccc[nH+]3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000184588551 1430910898 /nfs/dbraw/zinc/91/08/98/1430910898.db2.gz RIYOOGZZKHYDHX-UHFFFAOYSA-N 2 2 378.520 3.033 20 0 GGADLP Cc1c(-c2cc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)on2)cnn1C ZINC000184590708 1430911571 /nfs/dbraw/zinc/91/15/71/1430911571.db2.gz FCUUFXHIFUUTOB-IBGZPJMESA-N 2 2 379.508 3.337 20 0 GGADLP Cc1c(-c2cc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)on2)cnn1C ZINC000184590708 1430911574 /nfs/dbraw/zinc/91/15/74/1430911574.db2.gz FCUUFXHIFUUTOB-IBGZPJMESA-N 2 2 379.508 3.337 20 0 GGADLP Cc1c(-c2cc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)on2)cnn1C ZINC000184590708 1430911577 /nfs/dbraw/zinc/91/15/77/1430911577.db2.gz FCUUFXHIFUUTOB-IBGZPJMESA-N 2 2 379.508 3.337 20 0 GGADLP Cc1c(-c2cc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)on2)cnn1C ZINC000184590708 1430911583 /nfs/dbraw/zinc/91/15/83/1430911583.db2.gz FCUUFXHIFUUTOB-IBGZPJMESA-N 2 2 379.508 3.337 20 0 GGADLP Cc1c(-c2cc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)on2)cnn1C ZINC000184590734 1430911621 /nfs/dbraw/zinc/91/16/21/1430911621.db2.gz FCUUFXHIFUUTOB-LJQANCHMSA-N 2 2 379.508 3.337 20 0 GGADLP Cc1c(-c2cc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)on2)cnn1C ZINC000184590734 1430911624 /nfs/dbraw/zinc/91/16/24/1430911624.db2.gz FCUUFXHIFUUTOB-LJQANCHMSA-N 2 2 379.508 3.337 20 0 GGADLP Cc1c(-c2cc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)on2)cnn1C ZINC000184590734 1430911627 /nfs/dbraw/zinc/91/16/27/1430911627.db2.gz FCUUFXHIFUUTOB-LJQANCHMSA-N 2 2 379.508 3.337 20 0 GGADLP Cc1c(-c2cc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)on2)cnn1C ZINC000184590734 1430911628 /nfs/dbraw/zinc/91/16/28/1430911628.db2.gz FCUUFXHIFUUTOB-LJQANCHMSA-N 2 2 379.508 3.337 20 0 GGADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000184634738 1430925543 /nfs/dbraw/zinc/92/55/43/1430925543.db2.gz HZSOSIUXTHWTFU-FQEVSTJZSA-N 2 2 377.492 3.140 20 0 GGADLP CCN(C(=O)NCc1ccn2cc[nH+]c2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184634738 1430925547 /nfs/dbraw/zinc/92/55/47/1430925547.db2.gz HZSOSIUXTHWTFU-FQEVSTJZSA-N 2 2 377.492 3.140 20 0 GGADLP COC[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)o1 ZINC000184720096 1430952174 /nfs/dbraw/zinc/95/21/74/1430952174.db2.gz OVPVWNNQACFBCG-GHTZIAJQSA-N 2 2 399.535 3.034 20 0 GGADLP COC[C@@H]([NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(C)o1 ZINC000184720131 1430953223 /nfs/dbraw/zinc/95/32/23/1430953223.db2.gz OVPVWNNQACFBCG-WIYYLYMNSA-N 2 2 399.535 3.034 20 0 GGADLP COc1cc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC(=O)C1CC1 ZINC000184731447 1430956749 /nfs/dbraw/zinc/95/67/49/1430956749.db2.gz NPVSNKUGLLNXRH-INIZCTEOSA-N 2 2 383.492 3.199 20 0 GGADLP COc1cc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)ccc1OC(=O)C1CC1 ZINC000184731447 1430956755 /nfs/dbraw/zinc/95/67/55/1430956755.db2.gz NPVSNKUGLLNXRH-INIZCTEOSA-N 2 2 383.492 3.199 20 0 GGADLP CC[C@H]1Cc2ccccc2CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000184773510 1430973391 /nfs/dbraw/zinc/97/33/91/1430973391.db2.gz KAYCKMZWUFXIQZ-NRFANRHFSA-N 2 2 384.568 3.092 20 0 GGADLP CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000184974334 1431034227 /nfs/dbraw/zinc/03/42/27/1431034227.db2.gz YYMWFMSQUGBVIE-AEFFLSMTSA-N 2 2 388.581 3.426 20 0 GGADLP CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000184974334 1431034232 /nfs/dbraw/zinc/03/42/32/1431034232.db2.gz YYMWFMSQUGBVIE-AEFFLSMTSA-N 2 2 388.581 3.426 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000184997199 1431038552 /nfs/dbraw/zinc/03/85/52/1431038552.db2.gz WNZNOKMUWMIROK-YYWHXJBOSA-N 2 2 376.566 3.154 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000184997199 1431038557 /nfs/dbraw/zinc/03/85/57/1431038557.db2.gz WNZNOKMUWMIROK-YYWHXJBOSA-N 2 2 376.566 3.154 20 0 GGADLP CCCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000185672352 1431201733 /nfs/dbraw/zinc/20/17/33/1431201733.db2.gz QGIPLYDKZSPDRV-HOTGVXAUSA-N 2 2 393.601 3.452 20 0 GGADLP CCCCCc1nnc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000185672352 1431201735 /nfs/dbraw/zinc/20/17/35/1431201735.db2.gz QGIPLYDKZSPDRV-HOTGVXAUSA-N 2 2 393.601 3.452 20 0 GGADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185675756 1431202632 /nfs/dbraw/zinc/20/26/32/1431202632.db2.gz CZHFFRFZYQIILY-HUUCEWRRSA-N 2 2 393.553 3.106 20 0 GGADLP CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185675756 1431202645 /nfs/dbraw/zinc/20/26/45/1431202645.db2.gz CZHFFRFZYQIILY-HUUCEWRRSA-N 2 2 393.553 3.106 20 0 GGADLP C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730284 1431217820 /nfs/dbraw/zinc/21/78/20/1431217820.db2.gz PBBXVGUIPJBPTE-KBPBESRZSA-N 2 2 379.574 3.017 20 0 GGADLP C[C@H]([NH2+]CC(=O)Nc1nnc(C(C)(C)C)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730284 1431217824 /nfs/dbraw/zinc/21/78/24/1431217824.db2.gz PBBXVGUIPJBPTE-KBPBESRZSA-N 2 2 379.574 3.017 20 0 GGADLP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000185910611 1431275224 /nfs/dbraw/zinc/27/52/24/1431275224.db2.gz PMIHUPKQLCUJAT-LPHOPBHVSA-N 2 2 391.968 3.300 20 0 GGADLP NC(=O)[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000185910611 1431275230 /nfs/dbraw/zinc/27/52/30/1431275230.db2.gz PMIHUPKQLCUJAT-LPHOPBHVSA-N 2 2 391.968 3.300 20 0 GGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000185944489 1431289598 /nfs/dbraw/zinc/28/95/98/1431289598.db2.gz LKSDCMGEQHNVEI-HBGVWJBISA-N 2 2 385.939 3.379 20 0 GGADLP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000185944489 1431289618 /nfs/dbraw/zinc/28/96/18/1431289618.db2.gz LKSDCMGEQHNVEI-HBGVWJBISA-N 2 2 385.939 3.379 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000186041813 1431317728 /nfs/dbraw/zinc/31/77/28/1431317728.db2.gz ZXFBJKYOVNDXAL-QGZVFWFLSA-N 2 2 396.516 3.263 20 0 GGADLP COc1ccsc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1 ZINC000186126840 1431336148 /nfs/dbraw/zinc/33/61/48/1431336148.db2.gz UHGWURBJBSTXGZ-INIZCTEOSA-N 2 2 376.522 3.319 20 0 GGADLP COc1ccsc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+]1CCOCC1 ZINC000186133569 1431338281 /nfs/dbraw/zinc/33/82/81/1431338281.db2.gz ARLAHAAMTSJOGJ-INIZCTEOSA-N 2 2 376.522 3.319 20 0 GGADLP Cc1ccc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1NC(=O)CC[NH+](C)C ZINC000186266210 1431366349 /nfs/dbraw/zinc/36/63/49/1431366349.db2.gz GDMWTZICCGHQHL-UHFFFAOYSA-N 2 2 391.475 3.323 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000186274004 1431368823 /nfs/dbraw/zinc/36/88/23/1431368823.db2.gz DCEXGXVYTOVBID-NRFANRHFSA-N 2 2 381.524 3.140 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)C1CC1 ZINC000186274004 1431368829 /nfs/dbraw/zinc/36/88/29/1431368829.db2.gz DCEXGXVYTOVBID-NRFANRHFSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186316537 1431380542 /nfs/dbraw/zinc/38/05/42/1431380542.db2.gz GHUWVFRPHOFVCN-OALUTQOASA-N 2 2 387.568 3.322 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000186321077 1431381715 /nfs/dbraw/zinc/38/17/15/1431381715.db2.gz ANAXISSECJDMDT-HXUWFJFHSA-N 2 2 377.492 3.044 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCc1ccn2cc[nH+]c2c1)C1CC1 ZINC000186321077 1431381718 /nfs/dbraw/zinc/38/17/18/1431381718.db2.gz ANAXISSECJDMDT-HXUWFJFHSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186343686 1431387939 /nfs/dbraw/zinc/38/79/39/1431387939.db2.gz OLLVLTRMTBPYHX-NQVGOCGDSA-N 2 2 380.536 3.107 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186343686 1431387947 /nfs/dbraw/zinc/38/79/47/1431387947.db2.gz OLLVLTRMTBPYHX-NQVGOCGDSA-N 2 2 380.536 3.107 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC1 ZINC000186413995 1431408836 /nfs/dbraw/zinc/40/88/36/1431408836.db2.gz JOHKZJRCBYWKGJ-FPOVZHCZSA-N 2 2 395.551 3.008 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)C1CC1 ZINC000186413995 1431408837 /nfs/dbraw/zinc/40/88/37/1431408837.db2.gz JOHKZJRCBYWKGJ-FPOVZHCZSA-N 2 2 395.551 3.008 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(c4ccsc4)CC3)CC2)CC1 ZINC000186859229 1431543873 /nfs/dbraw/zinc/54/38/73/1431543873.db2.gz PKGZADNQCZXIRG-UHFFFAOYSA-N 2 2 390.597 3.196 20 0 GGADLP O=C(CC[NH+]1CCC(c2ccsc2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000186925163 1431567613 /nfs/dbraw/zinc/56/76/13/1431567613.db2.gz BAKNRPJDXMJYFY-UHFFFAOYSA-N 2 2 384.549 3.061 20 0 GGADLP C[C@@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186947059 1431574186 /nfs/dbraw/zinc/57/41/86/1431574186.db2.gz XJFIZDITILHQDI-KRWDZBQOSA-N 2 2 384.549 3.060 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000187013415 1431589606 /nfs/dbraw/zinc/58/96/06/1431589606.db2.gz WLJUBTNDOJNVDJ-CRAIPNDOSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000187013415 1431589613 /nfs/dbraw/zinc/58/96/13/1431589613.db2.gz WLJUBTNDOJNVDJ-CRAIPNDOSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)[C@H](C)C1 ZINC000187014108 1431590473 /nfs/dbraw/zinc/59/04/73/1431590473.db2.gz PQZKPNKLCRLEHB-RYRKJORJSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2Cl)[C@H](C)C1 ZINC000187014108 1431590475 /nfs/dbraw/zinc/59/04/75/1431590475.db2.gz PQZKPNKLCRLEHB-RYRKJORJSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000187022303 1431592419 /nfs/dbraw/zinc/59/24/19/1431592419.db2.gz ZHZLSDYIENFXHR-NVXWUHKLSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000187022303 1431592423 /nfs/dbraw/zinc/59/24/23/1431592423.db2.gz ZHZLSDYIENFXHR-NVXWUHKLSA-N 2 2 397.947 3.014 20 0 GGADLP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000187104628 1431617054 /nfs/dbraw/zinc/61/70/54/1431617054.db2.gz DMIOBUPYBWIXOR-SFHVURJKSA-N 2 2 385.512 3.348 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187332694 1431699575 /nfs/dbraw/zinc/69/95/75/1431699575.db2.gz MCBBOUFEKSSCJQ-KRWDZBQOSA-N 2 2 378.520 3.306 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187332713 1431699612 /nfs/dbraw/zinc/69/96/12/1431699612.db2.gz MCBBOUFEKSSCJQ-QGZVFWFLSA-N 2 2 378.520 3.306 20 0 GGADLP CN(CCCn1cc[nH+]c1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000187469749 1431741132 /nfs/dbraw/zinc/74/11/32/1431741132.db2.gz WRKMLNRRWAWRTK-QGZVFWFLSA-N 2 2 397.445 3.236 20 0 GGADLP CC(C)(C)OC(=O)N1CC=C(C[NH2+]C2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000187748306 1431807681 /nfs/dbraw/zinc/80/76/81/1431807681.db2.gz QSHHPPNUHCHWOC-UHFFFAOYSA-N 2 2 386.540 3.203 20 0 GGADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)Cc1ccsc1 ZINC000187808312 1431815035 /nfs/dbraw/zinc/81/50/35/1431815035.db2.gz QDVWFGOMKWFDJP-GOSISDBHSA-N 2 2 386.565 3.135 20 0 GGADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H](C)Cc1ccsc1 ZINC000187808312 1431815038 /nfs/dbraw/zinc/81/50/38/1431815038.db2.gz QDVWFGOMKWFDJP-GOSISDBHSA-N 2 2 386.565 3.135 20 0 GGADLP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000187904834 1431826042 /nfs/dbraw/zinc/82/60/42/1431826042.db2.gz IKHGJZCTSCCJQA-XUZZJYLKSA-N 2 2 392.547 3.220 20 0 GGADLP COc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1SC ZINC000188262592 1431866971 /nfs/dbraw/zinc/86/69/71/1431866971.db2.gz PCCBNWWTFMWZBD-JOCHJYFZSA-N 2 2 386.561 3.486 20 0 GGADLP COc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1SC ZINC000188262592 1431866972 /nfs/dbraw/zinc/86/69/72/1431866972.db2.gz PCCBNWWTFMWZBD-JOCHJYFZSA-N 2 2 386.561 3.486 20 0 GGADLP COc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1SC ZINC000188262592 1431866977 /nfs/dbraw/zinc/86/69/77/1431866977.db2.gz PCCBNWWTFMWZBD-JOCHJYFZSA-N 2 2 386.561 3.486 20 0 GGADLP COc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1SC ZINC000188262592 1431866978 /nfs/dbraw/zinc/86/69/78/1431866978.db2.gz PCCBNWWTFMWZBD-JOCHJYFZSA-N 2 2 386.561 3.486 20 0 GGADLP C[N@H+](Cc1cc(F)cc2cccnc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326164 1431873340 /nfs/dbraw/zinc/87/33/40/1431873340.db2.gz MKYJDSGEZMWRDK-HSZRJFAPSA-N 2 2 379.479 3.443 20 0 GGADLP C[N@@H+](Cc1cc(F)cc2cccnc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188326164 1431873342 /nfs/dbraw/zinc/87/33/42/1431873342.db2.gz MKYJDSGEZMWRDK-HSZRJFAPSA-N 2 2 379.479 3.443 20 0 GGADLP C[NH+](Cc1cc(F)cc2cccnc21)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188326164 1431873344 /nfs/dbraw/zinc/87/33/44/1431873344.db2.gz MKYJDSGEZMWRDK-HSZRJFAPSA-N 2 2 379.479 3.443 20 0 GGADLP C[NH+](Cc1cc(F)cc2cccnc21)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188326164 1431873345 /nfs/dbraw/zinc/87/33/45/1431873345.db2.gz MKYJDSGEZMWRDK-HSZRJFAPSA-N 2 2 379.479 3.443 20 0 GGADLP C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188327277 1431873657 /nfs/dbraw/zinc/87/36/57/1431873657.db2.gz SNGHDUQEKVTQQC-OAQYLSRUSA-N 2 2 376.447 3.357 20 0 GGADLP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188327277 1431873658 /nfs/dbraw/zinc/87/36/58/1431873658.db2.gz SNGHDUQEKVTQQC-OAQYLSRUSA-N 2 2 376.447 3.357 20 0 GGADLP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188327277 1431873659 /nfs/dbraw/zinc/87/36/59/1431873659.db2.gz SNGHDUQEKVTQQC-OAQYLSRUSA-N 2 2 376.447 3.357 20 0 GGADLP C[NH+](Cc1ccc(OC(F)F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188327277 1431873660 /nfs/dbraw/zinc/87/36/60/1431873660.db2.gz SNGHDUQEKVTQQC-OAQYLSRUSA-N 2 2 376.447 3.357 20 0 GGADLP Cn1c[nH+]cc1CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000188402326 1431881265 /nfs/dbraw/zinc/88/12/65/1431881265.db2.gz QUGKUCFVLMNDOI-UHFFFAOYSA-N 2 2 394.441 3.104 20 0 GGADLP Cn1c[nH+]cc1CC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000188402326 1431881266 /nfs/dbraw/zinc/88/12/66/1431881266.db2.gz QUGKUCFVLMNDOI-UHFFFAOYSA-N 2 2 394.441 3.104 20 0 GGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4ccccc4F)no3)CC2)C[C@@H](C)O1 ZINC000188993470 1432023898 /nfs/dbraw/zinc/02/38/98/1432023898.db2.gz XSPVEWQLLMNBJE-HZPDHXFCSA-N 2 2 388.487 3.197 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)cc3F)CC2)CC1 ZINC000189020402 1432028181 /nfs/dbraw/zinc/02/81/81/1432028181.db2.gz UXZSNGBNWRKRLS-UHFFFAOYSA-N 2 2 381.923 3.245 20 0 GGADLP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000189058134 1432036603 /nfs/dbraw/zinc/03/66/03/1432036603.db2.gz DSDCVGLUNZLJCT-KSZLIROESA-N 2 2 390.576 3.061 20 0 GGADLP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000189058134 1432036609 /nfs/dbraw/zinc/03/66/09/1432036609.db2.gz DSDCVGLUNZLJCT-KSZLIROESA-N 2 2 390.576 3.061 20 0 GGADLP O=C(CCc1c[nH]c[nH+]1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000189176510 1432058285 /nfs/dbraw/zinc/05/82/85/1432058285.db2.gz YEWNJJWBFSSDBH-QGZVFWFLSA-N 2 2 394.441 3.255 20 0 GGADLP O=C(CCc1c[nH]c[nH+]1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000189176510 1432058292 /nfs/dbraw/zinc/05/82/92/1432058292.db2.gz YEWNJJWBFSSDBH-QGZVFWFLSA-N 2 2 394.441 3.255 20 0 GGADLP O=C(CCc1c[nH+]c[nH]1)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000189176510 1432058298 /nfs/dbraw/zinc/05/82/98/1432058298.db2.gz YEWNJJWBFSSDBH-QGZVFWFLSA-N 2 2 394.441 3.255 20 0 GGADLP O=C(CCc1c[nH+]c[nH]1)N(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000189176510 1432058303 /nfs/dbraw/zinc/05/83/03/1432058303.db2.gz YEWNJJWBFSSDBH-QGZVFWFLSA-N 2 2 394.441 3.255 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@@H]3CC(C)(C)OC3(C)C)n2)CC1 ZINC000189225371 1432066571 /nfs/dbraw/zinc/06/65/71/1432066571.db2.gz BHQOXRDSRNORAE-MRXNPFEDSA-N 2 2 394.585 3.249 20 0 GGADLP COc1cccc2c(N3CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC3)cc[nH+]c12 ZINC000189230688 1432067931 /nfs/dbraw/zinc/06/79/31/1432067931.db2.gz YCCZKPNCHFSMAU-UHFFFAOYSA-N 2 2 398.551 3.164 20 0 GGADLP Fc1ccccc1-n1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000189368960 1432094422 /nfs/dbraw/zinc/09/44/22/1432094422.db2.gz CADGJSIZHYEFRK-UHFFFAOYSA-N 2 2 386.515 3.336 20 0 GGADLP COc1ccc([C@H](CNc2cc(N3CCCCC3)[nH+]cn2)[NH+](C)C)cc1OC ZINC000189405664 1432099820 /nfs/dbraw/zinc/09/98/20/1432099820.db2.gz CKFAEHKHMWQUCT-KRWDZBQOSA-N 2 2 385.512 3.199 20 0 GGADLP O=C1[C@@H]([N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1Cc1ccc(F)cc1F ZINC000189425056 1432106495 /nfs/dbraw/zinc/10/64/95/1432106495.db2.gz VXQRDBSHWWUPMI-UTKZUKDTSA-N 2 2 391.506 3.264 20 0 GGADLP O=C1[C@@H]([N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCCN1Cc1ccc(F)cc1F ZINC000189425056 1432106501 /nfs/dbraw/zinc/10/65/01/1432106501.db2.gz VXQRDBSHWWUPMI-UTKZUKDTSA-N 2 2 391.506 3.264 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189476219 1432126505 /nfs/dbraw/zinc/12/65/05/1432126505.db2.gz LWBWBPRWKMPUJL-OXJNMPFZSA-N 2 2 379.495 3.120 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189476219 1432126512 /nfs/dbraw/zinc/12/65/12/1432126512.db2.gz LWBWBPRWKMPUJL-OXJNMPFZSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189499683 1432136859 /nfs/dbraw/zinc/13/68/59/1432136859.db2.gz JLWKIEGXVYNMBR-OXQOHEQNSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189499683 1432136866 /nfs/dbraw/zinc/13/68/66/1432136866.db2.gz JLWKIEGXVYNMBR-OXQOHEQNSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189499683 1432136872 /nfs/dbraw/zinc/13/68/72/1432136872.db2.gz JLWKIEGXVYNMBR-OXQOHEQNSA-N 2 2 379.495 3.120 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000189499683 1432136876 /nfs/dbraw/zinc/13/68/76/1432136876.db2.gz JLWKIEGXVYNMBR-OXQOHEQNSA-N 2 2 379.495 3.120 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000190007572 1432303690 /nfs/dbraw/zinc/30/36/90/1432303690.db2.gz WMHDYEGIROZQAP-WIYYLYMNSA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000190007572 1432303696 /nfs/dbraw/zinc/30/36/96/1432303696.db2.gz WMHDYEGIROZQAP-WIYYLYMNSA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000190007554 1432303724 /nfs/dbraw/zinc/30/37/24/1432303724.db2.gz WMHDYEGIROZQAP-NQIIRXRSSA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc(C(C)C)c2)[C@H](C)C1 ZINC000190007554 1432303726 /nfs/dbraw/zinc/30/37/26/1432303726.db2.gz WMHDYEGIROZQAP-NQIIRXRSSA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000190007597 1432303892 /nfs/dbraw/zinc/30/38/92/1432303892.db2.gz ADQPBKHAGKCDBX-QUCCMNQESA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000190007597 1432303898 /nfs/dbraw/zinc/30/38/98/1432303898.db2.gz ADQPBKHAGKCDBX-QUCCMNQESA-N 2 2 375.557 3.475 20 0 GGADLP CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000190021434 1432306482 /nfs/dbraw/zinc/30/64/82/1432306482.db2.gz IKNIQGNGBCYQRJ-UXHICEINSA-N 2 2 391.581 3.111 20 0 GGADLP CC(C)n1ncc2ccc(NC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc21 ZINC000190158029 1432330293 /nfs/dbraw/zinc/33/02/93/1432330293.db2.gz AROBMZWYVJEOKN-UHFFFAOYSA-N 2 2 398.555 3.297 20 0 GGADLP CCSc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000190193199 1432337807 /nfs/dbraw/zinc/33/78/07/1432337807.db2.gz BWLKQIIDTHXWCJ-UHFFFAOYSA-N 2 2 376.570 3.479 20 0 GGADLP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190312921 1432358536 /nfs/dbraw/zinc/35/85/36/1432358536.db2.gz XREPKGKBDJAMBU-HSZRJFAPSA-N 2 2 394.494 3.285 20 0 GGADLP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190312921 1432358538 /nfs/dbraw/zinc/35/85/38/1432358538.db2.gz XREPKGKBDJAMBU-HSZRJFAPSA-N 2 2 394.494 3.285 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190312921 1432358540 /nfs/dbraw/zinc/35/85/40/1432358540.db2.gz XREPKGKBDJAMBU-HSZRJFAPSA-N 2 2 394.494 3.285 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190312921 1432358542 /nfs/dbraw/zinc/35/85/42/1432358542.db2.gz XREPKGKBDJAMBU-HSZRJFAPSA-N 2 2 394.494 3.285 20 0 GGADLP CCOCc1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000190313584 1432358777 /nfs/dbraw/zinc/35/87/77/1432358777.db2.gz MBXODPLHQVOEDD-DEOSSOPVSA-N 2 2 398.547 3.301 20 0 GGADLP CCOCc1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000190313584 1432358780 /nfs/dbraw/zinc/35/87/80/1432358780.db2.gz MBXODPLHQVOEDD-DEOSSOPVSA-N 2 2 398.547 3.301 20 0 GGADLP CCOCc1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000190313584 1432358783 /nfs/dbraw/zinc/35/87/83/1432358783.db2.gz MBXODPLHQVOEDD-DEOSSOPVSA-N 2 2 398.547 3.301 20 0 GGADLP CCOCc1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000190313584 1432358787 /nfs/dbraw/zinc/35/87/87/1432358787.db2.gz MBXODPLHQVOEDD-DEOSSOPVSA-N 2 2 398.547 3.301 20 0 GGADLP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190317909 1432359896 /nfs/dbraw/zinc/35/98/96/1432359896.db2.gz BQPGVKPNDNURLB-XMMPIXPASA-N 2 2 396.531 3.401 20 0 GGADLP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190317909 1432359900 /nfs/dbraw/zinc/35/99/00/1432359900.db2.gz BQPGVKPNDNURLB-XMMPIXPASA-N 2 2 396.531 3.401 20 0 GGADLP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190317909 1432359903 /nfs/dbraw/zinc/35/99/03/1432359903.db2.gz BQPGVKPNDNURLB-XMMPIXPASA-N 2 2 396.531 3.401 20 0 GGADLP C[NH+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190317909 1432359907 /nfs/dbraw/zinc/35/99/07/1432359907.db2.gz BQPGVKPNDNURLB-XMMPIXPASA-N 2 2 396.531 3.401 20 0 GGADLP O=C1[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCN1Cc1ccc(F)cc1F ZINC000190473662 1432388586 /nfs/dbraw/zinc/38/85/86/1432388586.db2.gz GNMQPPLGFHAUQH-NRFANRHFSA-N 2 2 396.441 3.431 20 0 GGADLP CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000190496807 1432392737 /nfs/dbraw/zinc/39/27/37/1432392737.db2.gz LEGLDINHPJKPFM-SFHVURJKSA-N 2 2 391.519 3.122 20 0 GGADLP CC[N@@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000190496807 1432392743 /nfs/dbraw/zinc/39/27/43/1432392743.db2.gz LEGLDINHPJKPFM-SFHVURJKSA-N 2 2 391.519 3.122 20 0 GGADLP CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000190496827 1432392923 /nfs/dbraw/zinc/39/29/23/1432392923.db2.gz LEGLDINHPJKPFM-GOSISDBHSA-N 2 2 391.519 3.122 20 0 GGADLP CC[N@@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000190496827 1432392927 /nfs/dbraw/zinc/39/29/27/1432392927.db2.gz LEGLDINHPJKPFM-GOSISDBHSA-N 2 2 391.519 3.122 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000190515604 1432396106 /nfs/dbraw/zinc/39/61/06/1432396106.db2.gz CQWCDCFNMYHAMV-IBGZPJMESA-N 2 2 375.561 3.132 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000190515604 1432396112 /nfs/dbraw/zinc/39/61/12/1432396112.db2.gz CQWCDCFNMYHAMV-IBGZPJMESA-N 2 2 375.561 3.132 20 0 GGADLP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3nccn3-c3ccccc3)c2)CCO1 ZINC000190868967 1432514291 /nfs/dbraw/zinc/51/42/91/1432514291.db2.gz HMUZCUOLQJQFNC-IBGZPJMESA-N 2 2 376.504 3.383 20 0 GGADLP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3nccn3-c3ccccc3)c2)CCO1 ZINC000190868967 1432514295 /nfs/dbraw/zinc/51/42/95/1432514295.db2.gz HMUZCUOLQJQFNC-IBGZPJMESA-N 2 2 376.504 3.383 20 0 GGADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000191393300 1432650231 /nfs/dbraw/zinc/65/02/31/1432650231.db2.gz WSJWPTPGMKCIAI-OAQYLSRUSA-N 2 2 379.548 3.114 20 0 GGADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000191393300 1432650237 /nfs/dbraw/zinc/65/02/37/1432650237.db2.gz WSJWPTPGMKCIAI-OAQYLSRUSA-N 2 2 379.548 3.114 20 0 GGADLP C[C@H]1C[N@H+](CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000191393318 1432650472 /nfs/dbraw/zinc/65/04/72/1432650472.db2.gz WSJWPTPGMKCIAI-NRFANRHFSA-N 2 2 379.548 3.114 20 0 GGADLP C[C@H]1C[N@@H+](CCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000191393318 1432650481 /nfs/dbraw/zinc/65/04/81/1432650481.db2.gz WSJWPTPGMKCIAI-NRFANRHFSA-N 2 2 379.548 3.114 20 0 GGADLP C[C@H]1COCC[N@@H+]1CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000191393369 1432650913 /nfs/dbraw/zinc/65/09/13/1432650913.db2.gz INFUWVANKPZVOF-NRFANRHFSA-N 2 2 379.548 3.114 20 0 GGADLP C[C@H]1COCC[N@H+]1CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000191393369 1432650925 /nfs/dbraw/zinc/65/09/25/1432650925.db2.gz INFUWVANKPZVOF-NRFANRHFSA-N 2 2 379.548 3.114 20 0 GGADLP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191580690 1432686840 /nfs/dbraw/zinc/68/68/40/1432686840.db2.gz OFRGRCMDCAWBAY-JOCHJYFZSA-N 2 2 376.504 3.119 20 0 GGADLP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191580690 1432686844 /nfs/dbraw/zinc/68/68/44/1432686844.db2.gz OFRGRCMDCAWBAY-JOCHJYFZSA-N 2 2 376.504 3.119 20 0 GGADLP CC[NH+](CC)CCC[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000191811233 1432730666 /nfs/dbraw/zinc/73/06/66/1432730666.db2.gz HTANYYMZBNDHGO-MRXNPFEDSA-N 2 2 387.524 3.033 20 0 GGADLP CCOC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000191833212 1432735766 /nfs/dbraw/zinc/73/57/66/1432735766.db2.gz BOAMENDHYCSOMN-PCCBWWKXSA-N 2 2 396.620 3.026 20 0 GGADLP CCOC[C@H](NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)C(C)C ZINC000191833212 1432735773 /nfs/dbraw/zinc/73/57/73/1432735773.db2.gz BOAMENDHYCSOMN-PCCBWWKXSA-N 2 2 396.620 3.026 20 0 GGADLP COc1cccc(CN(CC[NH+](C)C)C(=O)c2cccc(-n3cc[nH+]c3)c2)c1 ZINC000191955659 1432766563 /nfs/dbraw/zinc/76/65/63/1432766563.db2.gz GIQWDKOIGDZFMZ-UHFFFAOYSA-N 2 2 378.476 3.085 20 0 GGADLP Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(-n4cc[nH+]c4)cc3C)CC2)no1 ZINC000192081915 1432794823 /nfs/dbraw/zinc/79/48/23/1432794823.db2.gz XAGZTZRHKKGNQR-UHFFFAOYSA-N 2 2 379.464 3.328 20 0 GGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000192098905 1432798156 /nfs/dbraw/zinc/79/81/56/1432798156.db2.gz VOTCWMCHRUNBEO-MRXNPFEDSA-N 2 2 384.505 3.021 20 0 GGADLP Cc1cc(-n2cc[nH+]c2)ccc1C[N@H+](C)[C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000192098905 1432798162 /nfs/dbraw/zinc/79/81/62/1432798162.db2.gz VOTCWMCHRUNBEO-MRXNPFEDSA-N 2 2 384.505 3.021 20 0 GGADLP CC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(S(N)(=O)=O)c1 ZINC000192156612 1432809277 /nfs/dbraw/zinc/80/92/77/1432809277.db2.gz DKUDLCUNYGNYAH-FQEVSTJZSA-N 2 2 384.505 3.069 20 0 GGADLP COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000192194697 1432814274 /nfs/dbraw/zinc/81/42/74/1432814274.db2.gz DMSLLBYMSTYVPO-UHFFFAOYSA-N 2 2 379.460 3.365 20 0 GGADLP COC(=O)COc1ccc(C[N@@H+](C)Cc2ccc(-n3cc[nH+]c3)cc2C)cc1 ZINC000192194697 1432814276 /nfs/dbraw/zinc/81/42/76/1432814276.db2.gz DMSLLBYMSTYVPO-UHFFFAOYSA-N 2 2 379.460 3.365 20 0 GGADLP CC[NH+](CC)[C@H](CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccsc1 ZINC000192277959 1432826193 /nfs/dbraw/zinc/82/61/93/1432826193.db2.gz QVEBQZQYMHBKAS-QZTJIDSGSA-N 2 2 389.569 3.384 20 0 GGADLP c1ccc(CC[NH+]2CCC(Nc3cc(N4CCSCC4)[nH+]cn3)CC2)cc1 ZINC000192277516 1432826275 /nfs/dbraw/zinc/82/62/75/1432826275.db2.gz IIILUWQCDYDVMR-UHFFFAOYSA-N 2 2 383.565 3.149 20 0 GGADLP c1ccc(CC[NH+]2CCC(Nc3cc(N4CCSCC4)nc[nH+]3)CC2)cc1 ZINC000192277516 1432826278 /nfs/dbraw/zinc/82/62/78/1432826278.db2.gz IIILUWQCDYDVMR-UHFFFAOYSA-N 2 2 383.565 3.149 20 0 GGADLP CC[NH+](CC)[C@@H](CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)c1ccsc1 ZINC000192277952 1432826294 /nfs/dbraw/zinc/82/62/94/1432826294.db2.gz QVEBQZQYMHBKAS-MSOLQXFVSA-N 2 2 389.569 3.384 20 0 GGADLP Cc1cn2c(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)c(C)nc2s1 ZINC000192356000 1432835875 /nfs/dbraw/zinc/83/58/75/1432835875.db2.gz GEHDEAOFVYTARO-LJQANCHMSA-N 2 2 384.549 3.393 20 0 GGADLP Cc1cn2c(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)c(C)nc2s1 ZINC000192356000 1432835876 /nfs/dbraw/zinc/83/58/76/1432835876.db2.gz GEHDEAOFVYTARO-LJQANCHMSA-N 2 2 384.549 3.393 20 0 GGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192357682 1432836149 /nfs/dbraw/zinc/83/61/49/1432836149.db2.gz LBQQDLYEHPYAAU-UGKGYDQZSA-N 2 2 381.520 3.284 20 0 GGADLP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192357682 1432836150 /nfs/dbraw/zinc/83/61/50/1432836150.db2.gz LBQQDLYEHPYAAU-UGKGYDQZSA-N 2 2 381.520 3.284 20 0 GGADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000192357911 1432836225 /nfs/dbraw/zinc/83/62/25/1432836225.db2.gz XIATXYZBEOUJKS-OAQYLSRUSA-N 2 2 384.520 3.475 20 0 GGADLP CCOc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000192357911 1432836226 /nfs/dbraw/zinc/83/62/26/1432836226.db2.gz XIATXYZBEOUJKS-OAQYLSRUSA-N 2 2 384.520 3.475 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192398854 1432840848 /nfs/dbraw/zinc/84/08/48/1432840848.db2.gz BMXSUWVYDQSZGF-KRWDZBQOSA-N 2 2 388.899 3.143 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192398854 1432840849 /nfs/dbraw/zinc/84/08/49/1432840849.db2.gz BMXSUWVYDQSZGF-KRWDZBQOSA-N 2 2 388.899 3.143 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192398852 1432840909 /nfs/dbraw/zinc/84/09/09/1432840909.db2.gz BMXSUWVYDQSZGF-QGZVFWFLSA-N 2 2 388.899 3.143 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O ZINC000192398852 1432840910 /nfs/dbraw/zinc/84/09/10/1432840910.db2.gz BMXSUWVYDQSZGF-QGZVFWFLSA-N 2 2 388.899 3.143 20 0 GGADLP C[C@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000192469121 1432848415 /nfs/dbraw/zinc/84/84/15/1432848415.db2.gz MMMFFEPYYJTUMM-LPHOPBHVSA-N 2 2 385.474 3.232 20 0 GGADLP C[C@H](Oc1cccc2ccccc21)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000192566909 1432860982 /nfs/dbraw/zinc/86/09/82/1432860982.db2.gz GHFFIMWNXXLXQR-SFHVURJKSA-N 2 2 383.536 3.092 20 0 GGADLP C[C@H](Oc1cccc2ccccc21)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000192566909 1432860984 /nfs/dbraw/zinc/86/09/84/1432860984.db2.gz GHFFIMWNXXLXQR-SFHVURJKSA-N 2 2 383.536 3.092 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192730401 1432881359 /nfs/dbraw/zinc/88/13/59/1432881359.db2.gz CYNVEJNBYNMYAJ-HZPDHXFCSA-N 2 2 387.503 3.183 20 0 GGADLP C[C@@H]1C[N@H+](CCN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCO1 ZINC000192776896 1432889109 /nfs/dbraw/zinc/88/91/09/1432889109.db2.gz QYNZUDZARXTZHW-LJQANCHMSA-N 2 2 377.532 3.095 20 0 GGADLP C[C@@H]1C[N@@H+](CCN2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)CCO1 ZINC000192776896 1432889110 /nfs/dbraw/zinc/88/91/10/1432889110.db2.gz QYNZUDZARXTZHW-LJQANCHMSA-N 2 2 377.532 3.095 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000192946859 1432911671 /nfs/dbraw/zinc/91/16/71/1432911671.db2.gz ZSKNTZBBOWIOGX-RTBURBONSA-N 2 2 388.556 3.293 20 0 GGADLP c1coc(-c2ncc(C[NH2+]Cc3cccc(OCC[NH+]4CCOCC4)c3)s2)c1 ZINC000193050057 1432928376 /nfs/dbraw/zinc/92/83/76/1432928376.db2.gz FMHJGYZYHZFLKW-UHFFFAOYSA-N 2 2 399.516 3.404 20 0 GGADLP c1coc(-c2ncc(C[NH2+]Cc3ccccc3OCC[NH+]3CCOCC3)s2)c1 ZINC000193061555 1432930322 /nfs/dbraw/zinc/93/03/22/1432930322.db2.gz YETZAOBFVRSPQF-UHFFFAOYSA-N 2 2 399.516 3.404 20 0 GGADLP Cc1ccc(NCCCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[nH+]c1 ZINC000193093875 1432935254 /nfs/dbraw/zinc/93/52/54/1432935254.db2.gz PSVPRJOLPPFICP-SFHVURJKSA-N 2 2 385.512 3.311 20 0 GGADLP COc1ccccc1C[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193654273 1433034646 /nfs/dbraw/zinc/03/46/46/1433034646.db2.gz WIONKWKXVQNZHK-UHFFFAOYSA-N 2 2 381.520 3.039 20 0 GGADLP COc1ccccc1C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000193654273 1433034648 /nfs/dbraw/zinc/03/46/48/1433034648.db2.gz WIONKWKXVQNZHK-UHFFFAOYSA-N 2 2 381.520 3.039 20 0 GGADLP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)c(F)c1 ZINC000193789840 1433059872 /nfs/dbraw/zinc/05/98/72/1433059872.db2.gz LZAQBUOQZRBMJO-UHFFFAOYSA-N 2 2 387.474 3.309 20 0 GGADLP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)c(F)c1 ZINC000193789840 1433059875 /nfs/dbraw/zinc/05/98/75/1433059875.db2.gz LZAQBUOQZRBMJO-UHFFFAOYSA-N 2 2 387.474 3.309 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)C[NH+]3CCCC3)c2C1 ZINC000194092184 1433115653 /nfs/dbraw/zinc/11/56/53/1433115653.db2.gz MQHQXJTXSULWJD-QGZVFWFLSA-N 2 2 380.536 3.075 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](C)C[NH+]3CCCC3)c2C1 ZINC000194092184 1433115656 /nfs/dbraw/zinc/11/56/56/1433115656.db2.gz MQHQXJTXSULWJD-QGZVFWFLSA-N 2 2 380.536 3.075 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H](COC)c2ccc(Cl)cc2)nc[nH+]1 ZINC000194094427 1433116245 /nfs/dbraw/zinc/11/62/45/1433116245.db2.gz RNUPMQLRAYFTPM-IRXDYDNUSA-N 2 2 375.904 3.118 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194097479 1433116916 /nfs/dbraw/zinc/11/69/16/1433116916.db2.gz LGTVLVZUJUXYAY-OAQYLSRUSA-N 2 2 389.503 3.194 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194097479 1433116917 /nfs/dbraw/zinc/11/69/17/1433116917.db2.gz LGTVLVZUJUXYAY-OAQYLSRUSA-N 2 2 389.503 3.194 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](C)[N@@H+]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000194134154 1433123249 /nfs/dbraw/zinc/12/32/49/1433123249.db2.gz QXBCEYSIQKIZCH-LJQANCHMSA-N 2 2 392.547 3.169 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](C)[N@H+]3CCc4ccccc4C3)CC2)[nH+]c1 ZINC000194134154 1433123250 /nfs/dbraw/zinc/12/32/50/1433123250.db2.gz QXBCEYSIQKIZCH-LJQANCHMSA-N 2 2 392.547 3.169 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194425155 1433176020 /nfs/dbraw/zinc/17/60/20/1433176020.db2.gz LOMNQRQMLBUESO-HXUWFJFHSA-N 2 2 381.524 3.095 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194425155 1433176021 /nfs/dbraw/zinc/17/60/21/1433176021.db2.gz LOMNQRQMLBUESO-HXUWFJFHSA-N 2 2 381.524 3.095 20 0 GGADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000194879834 1433255385 /nfs/dbraw/zinc/25/53/85/1433255385.db2.gz QKXXNTZGRXMVTB-KBXCAEBGSA-N 2 2 377.920 3.083 20 0 GGADLP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000194879804 1433255596 /nfs/dbraw/zinc/25/55/96/1433255596.db2.gz QKXXNTZGRXMVTB-KSSFIOAISA-N 2 2 377.920 3.083 20 0 GGADLP CC(C)(C)[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000194946264 1433270412 /nfs/dbraw/zinc/27/04/12/1433270412.db2.gz YZCCELJYQALYPO-IBGZPJMESA-N 2 2 375.582 3.156 20 0 GGADLP COc1cccc([C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+]2CCCC2)c1 ZINC000195286768 1433315292 /nfs/dbraw/zinc/31/52/92/1433315292.db2.gz HMSYDFSRAVILLC-VXKWHMMOSA-N 2 2 381.520 3.251 20 0 GGADLP CC(C)COc1cccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000195344318 1433321176 /nfs/dbraw/zinc/32/11/76/1433321176.db2.gz XECNQYZPOSDLDZ-UHFFFAOYSA-N 2 2 388.556 3.402 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000195343474 1433321185 /nfs/dbraw/zinc/32/11/85/1433321185.db2.gz BVFAZRABQDVDBX-UHFFFAOYSA-N 2 2 384.568 3.134 20 0 GGADLP CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CCCC2)no1 ZINC000236942504 1433383802 /nfs/dbraw/zinc/38/38/02/1433383802.db2.gz GHJDZVSBCNSZGU-LPHOPBHVSA-N 2 2 399.539 3.133 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000236978476 1433384594 /nfs/dbraw/zinc/38/45/94/1433384594.db2.gz VJGKQPIIQDCMOX-QFIPXVFZSA-N 2 2 381.520 3.210 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000237011387 1433385568 /nfs/dbraw/zinc/38/55/68/1433385568.db2.gz YGGYBXXIUUMNFU-JOCHJYFZSA-N 2 2 378.520 3.034 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2cc(C)ccc2OC(F)F)nc[nH+]1 ZINC000237082688 1433388504 /nfs/dbraw/zinc/38/85/04/1433388504.db2.gz UFXOOCRRGNUYGQ-HNNXBMFYSA-N 2 2 377.439 3.187 20 0 GGADLP Cc1cn2c(C[NH2+]Cc3ccc(C[NH+]4CCN(C)CC4)cc3)c(C)nc2s1 ZINC000237089626 1433388685 /nfs/dbraw/zinc/38/86/85/1433388685.db2.gz XNWJQGJNFKURDD-UHFFFAOYSA-N 2 2 383.565 3.050 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)CC1 ZINC000237123514 1433390072 /nfs/dbraw/zinc/39/00/72/1433390072.db2.gz MGJGZTOIYYTOQG-UHFFFAOYSA-N 2 2 376.932 3.343 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccccc3Cl)c2C)CC1 ZINC000237123378 1433390144 /nfs/dbraw/zinc/39/01/44/1433390144.db2.gz VFVFAHFGLMBDHO-UHFFFAOYSA-N 2 2 390.959 3.402 20 0 GGADLP COc1cc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)ccc1OCc1ccccc1 ZINC000237267772 1433395004 /nfs/dbraw/zinc/39/50/04/1433395004.db2.gz QEZCRKWIKUROHC-QFIPXVFZSA-N 2 2 398.547 3.457 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237311323 1433396630 /nfs/dbraw/zinc/39/66/30/1433396630.db2.gz SRYUHMALWAQXML-KGVIQGDOSA-N 2 2 381.520 3.237 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237504007 1433406894 /nfs/dbraw/zinc/40/68/94/1433406894.db2.gz SYJGKFHFUJFMKP-REWPJTCUSA-N 2 2 395.547 3.216 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237504265 1433407048 /nfs/dbraw/zinc/40/70/48/1433407048.db2.gz PVGCYGVMESTHME-SXWKCWPCSA-N 2 2 395.547 3.072 20 0 GGADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H](C)O1 ZINC000237614039 1433412735 /nfs/dbraw/zinc/41/27/35/1433412735.db2.gz WFGUOSPFTUYVTM-HOTGVXAUSA-N 2 2 396.457 3.480 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237666150 1433415712 /nfs/dbraw/zinc/41/57/12/1433415712.db2.gz SYJGKFHFUJFMKP-NFBKMPQASA-N 2 2 395.547 3.216 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237666179 1433415837 /nfs/dbraw/zinc/41/58/37/1433415837.db2.gz SYJGKFHFUJFMKP-OFNKIYASSA-N 2 2 395.547 3.216 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000237748485 1433420836 /nfs/dbraw/zinc/42/08/36/1433420836.db2.gz SDBUGTSHDDRHRO-UHFFFAOYSA-N 2 2 388.478 3.414 20 0 GGADLP [NH3+]C[C@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000237820267 1433425988 /nfs/dbraw/zinc/42/59/88/1433425988.db2.gz KYNCPKPMYPHZTA-QFBILLFUSA-N 2 2 389.902 3.475 20 0 GGADLP [NH3+]C[C@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237846649 1433428846 /nfs/dbraw/zinc/42/88/46/1433428846.db2.gz FKJNRXJQFCKAEI-SFHVURJKSA-N 2 2 392.528 3.382 20 0 GGADLP [NH3+]C[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237846649 1433428847 /nfs/dbraw/zinc/42/88/47/1433428847.db2.gz FKJNRXJQFCKAEI-SFHVURJKSA-N 2 2 392.528 3.382 20 0 GGADLP O=C(Nc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1)c1ccc(Cl)cc1 ZINC000237970091 1433437490 /nfs/dbraw/zinc/43/74/90/1433437490.db2.gz OKECBOKTIBLBME-HXUWFJFHSA-N 2 2 387.911 3.139 20 0 GGADLP [NH3+]C[C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000238028123 1433439872 /nfs/dbraw/zinc/43/98/72/1433439872.db2.gz KYNCPKPMYPHZTA-APWZRJJASA-N 2 2 389.902 3.475 20 0 GGADLP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238033260 1433439979 /nfs/dbraw/zinc/43/99/79/1433439979.db2.gz FXLXTKXVNRVFFA-MJGOQNOKSA-N 2 2 375.875 3.260 20 0 GGADLP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000238033260 1433439985 /nfs/dbraw/zinc/43/99/85/1433439985.db2.gz FXLXTKXVNRVFFA-MJGOQNOKSA-N 2 2 375.875 3.260 20 0 GGADLP [NH3+]C[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000238048560 1433441039 /nfs/dbraw/zinc/44/10/39/1433441039.db2.gz FKJNRXJQFCKAEI-GOSISDBHSA-N 2 2 392.528 3.382 20 0 GGADLP [NH3+]C[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000238048560 1433441045 /nfs/dbraw/zinc/44/10/45/1433441045.db2.gz FKJNRXJQFCKAEI-GOSISDBHSA-N 2 2 392.528 3.382 20 0 GGADLP [NH3+]Cc1nc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1 ZINC000238077434 1433442089 /nfs/dbraw/zinc/44/20/89/1433442089.db2.gz VIMSNSJLJDHERQ-UHFFFAOYSA-N 2 2 392.528 3.149 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCCC2)c1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238085616 1433442562 /nfs/dbraw/zinc/44/25/62/1433442562.db2.gz ZXCGGBNZYAHPPQ-UHFFFAOYSA-N 2 2 378.520 3.010 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245450448 1433469978 /nfs/dbraw/zinc/46/99/78/1433469978.db2.gz OPRJRUWOIPTMBL-MOPGFXCFSA-N 2 2 382.552 3.023 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245450448 1433469979 /nfs/dbraw/zinc/46/99/79/1433469979.db2.gz OPRJRUWOIPTMBL-MOPGFXCFSA-N 2 2 382.552 3.023 20 0 GGADLP Cc1ccc(CNC(=O)[C@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000245451753 1433470355 /nfs/dbraw/zinc/47/03/55/1433470355.db2.gz PTGBUFWRPSVELM-NZQKXSOJSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000245451753 1433470363 /nfs/dbraw/zinc/47/03/63/1433470363.db2.gz PTGBUFWRPSVELM-NZQKXSOJSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000245451753 1433470371 /nfs/dbraw/zinc/47/03/71/1433470371.db2.gz PTGBUFWRPSVELM-NZQKXSOJSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000245451753 1433470377 /nfs/dbraw/zinc/47/03/77/1433470377.db2.gz PTGBUFWRPSVELM-NZQKXSOJSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000245451752 1433470553 /nfs/dbraw/zinc/47/05/53/1433470553.db2.gz PTGBUFWRPSVELM-NFBKMPQASA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000245451752 1433470554 /nfs/dbraw/zinc/47/05/54/1433470554.db2.gz PTGBUFWRPSVELM-NFBKMPQASA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000245451752 1433470555 /nfs/dbraw/zinc/47/05/55/1433470555.db2.gz PTGBUFWRPSVELM-NFBKMPQASA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(CNC(=O)[C@@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000245451752 1433470556 /nfs/dbraw/zinc/47/05/56/1433470556.db2.gz PTGBUFWRPSVELM-NFBKMPQASA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245467182 1433473917 /nfs/dbraw/zinc/47/39/17/1433473917.db2.gz ZJXZKUYHAZIFDN-IFMALSPDSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245467182 1433473920 /nfs/dbraw/zinc/47/39/20/1433473920.db2.gz ZJXZKUYHAZIFDN-IFMALSPDSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245467182 1433473928 /nfs/dbraw/zinc/47/39/28/1433473928.db2.gz ZJXZKUYHAZIFDN-IFMALSPDSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccccc1CNC(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245467182 1433473931 /nfs/dbraw/zinc/47/39/31/1433473931.db2.gz ZJXZKUYHAZIFDN-IFMALSPDSA-N 2 2 379.548 3.454 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)c3ccccn3)CC2)cc1 ZINC000245548659 1433483798 /nfs/dbraw/zinc/48/37/98/1433483798.db2.gz YCPOHCCBWBRJSX-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)c3ccccn3)CC2)cc1 ZINC000245548659 1433483803 /nfs/dbraw/zinc/48/38/03/1433483803.db2.gz YCPOHCCBWBRJSX-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)c3ccccn3)CC2)cc1 ZINC000245548659 1433483805 /nfs/dbraw/zinc/48/38/05/1433483805.db2.gz YCPOHCCBWBRJSX-HXUWFJFHSA-N 2 2 380.536 3.117 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554435 1433484499 /nfs/dbraw/zinc/48/44/99/1433484499.db2.gz GWXGCLMCVPSOQE-UXHICEINSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554435 1433484500 /nfs/dbraw/zinc/48/45/00/1433484500.db2.gz GWXGCLMCVPSOQE-UXHICEINSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554435 1433484501 /nfs/dbraw/zinc/48/45/01/1433484501.db2.gz GWXGCLMCVPSOQE-UXHICEINSA-N 2 2 387.568 3.240 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(=O)N(C)C)C1 ZINC000245554435 1433484502 /nfs/dbraw/zinc/48/45/02/1433484502.db2.gz GWXGCLMCVPSOQE-UXHICEINSA-N 2 2 387.568 3.240 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000245559804 1433484953 /nfs/dbraw/zinc/48/49/53/1433484953.db2.gz MIOXADDNIBJDKB-UIFIKXQLSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)C1 ZINC000245559804 1433484957 /nfs/dbraw/zinc/48/49/57/1433484957.db2.gz MIOXADDNIBJDKB-UIFIKXQLSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000245559804 1433484960 /nfs/dbraw/zinc/48/49/60/1433484960.db2.gz MIOXADDNIBJDKB-UIFIKXQLSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[NH+](C)CCO2)C1 ZINC000245559804 1433484964 /nfs/dbraw/zinc/48/49/64/1433484964.db2.gz MIOXADDNIBJDKB-UIFIKXQLSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[NH+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)C1 ZINC000245559804 1433484966 /nfs/dbraw/zinc/48/49/66/1433484966.db2.gz MIOXADDNIBJDKB-UIFIKXQLSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[NH+]1CCC[C@H](CN[C@@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000245559804 1433484968 /nfs/dbraw/zinc/48/49/68/1433484968.db2.gz MIOXADDNIBJDKB-UIFIKXQLSA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000245559802 1433485110 /nfs/dbraw/zinc/48/51/10/1433485110.db2.gz MIOXADDNIBJDKB-JRGCBEDISA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)C1 ZINC000245559802 1433485112 /nfs/dbraw/zinc/48/51/12/1433485112.db2.gz MIOXADDNIBJDKB-JRGCBEDISA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000245559802 1433485114 /nfs/dbraw/zinc/48/51/14/1433485114.db2.gz MIOXADDNIBJDKB-JRGCBEDISA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[N@H+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[NH+](C)CCO2)C1 ZINC000245559802 1433485115 /nfs/dbraw/zinc/48/51/15/1433485115.db2.gz MIOXADDNIBJDKB-JRGCBEDISA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[NH+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000245559802 1433485118 /nfs/dbraw/zinc/48/51/18/1433485118.db2.gz MIOXADDNIBJDKB-JRGCBEDISA-N 2 2 379.976 3.422 20 0 GGADLP CC(C)[NH+]1CCC[C@H](CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000245559802 1433485120 /nfs/dbraw/zinc/48/51/20/1433485120.db2.gz MIOXADDNIBJDKB-JRGCBEDISA-N 2 2 379.976 3.422 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000245574355 1433487138 /nfs/dbraw/zinc/48/71/38/1433487138.db2.gz HIUNLXJFGXAHPU-HHXXYDBFSA-N 2 2 383.496 3.120 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c(C)c1 ZINC000245574355 1433487139 /nfs/dbraw/zinc/48/71/39/1433487139.db2.gz HIUNLXJFGXAHPU-HHXXYDBFSA-N 2 2 383.496 3.120 20 0 GGADLP CN(C(=O)CSCC(F)(F)F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245578797 1433487518 /nfs/dbraw/zinc/48/75/18/1433487518.db2.gz HNGUGXVXQFDTQH-JKSUJKDBSA-N 2 2 395.535 3.078 20 0 GGADLP CN(C(=O)CSCC(F)(F)F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245578797 1433487519 /nfs/dbraw/zinc/48/75/19/1433487519.db2.gz HNGUGXVXQFDTQH-JKSUJKDBSA-N 2 2 395.535 3.078 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000245582489 1433487805 /nfs/dbraw/zinc/48/78/05/1433487805.db2.gz IAUHLCPOWWTRMT-XMCHAPAWSA-N 2 2 377.891 3.408 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000245582489 1433487806 /nfs/dbraw/zinc/48/78/06/1433487806.db2.gz IAUHLCPOWWTRMT-XMCHAPAWSA-N 2 2 377.891 3.408 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245600636 1433489673 /nfs/dbraw/zinc/48/96/73/1433489673.db2.gz MIETWTNQLDUGIK-JEBQAFNWSA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245600636 1433489675 /nfs/dbraw/zinc/48/96/75/1433489675.db2.gz MIETWTNQLDUGIK-JEBQAFNWSA-N 2 2 376.863 3.364 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610535 1433490709 /nfs/dbraw/zinc/49/07/09/1433490709.db2.gz JYXAQPOPZWCBBZ-HKUYNNGSSA-N 2 2 397.485 3.470 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610535 1433490712 /nfs/dbraw/zinc/49/07/12/1433490712.db2.gz JYXAQPOPZWCBBZ-HKUYNNGSSA-N 2 2 397.485 3.470 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610535 1433490715 /nfs/dbraw/zinc/49/07/15/1433490715.db2.gz JYXAQPOPZWCBBZ-HKUYNNGSSA-N 2 2 397.485 3.470 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)C1 ZINC000245610535 1433490717 /nfs/dbraw/zinc/49/07/17/1433490717.db2.gz JYXAQPOPZWCBBZ-HKUYNNGSSA-N 2 2 397.485 3.470 20 0 GGADLP CN(C(=O)CC[C@@H]1CCCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245623147 1433492222 /nfs/dbraw/zinc/49/22/22/1433492222.db2.gz BKUPHMBMBDQNQQ-PWRODBHTSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)CC[C@@H]1CCCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245623147 1433492223 /nfs/dbraw/zinc/49/22/23/1433492223.db2.gz BKUPHMBMBDQNQQ-PWRODBHTSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)CCCc1ccccn1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245697256 1433501672 /nfs/dbraw/zinc/50/16/72/1433501672.db2.gz KRDWHHUNYXXSAI-FCHUYYIVSA-N 2 2 386.584 3.200 20 0 GGADLP CN(C(=O)CCCc1ccccn1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245697256 1433501678 /nfs/dbraw/zinc/50/16/78/1433501678.db2.gz KRDWHHUNYXXSAI-FCHUYYIVSA-N 2 2 386.584 3.200 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000245717461 1433505488 /nfs/dbraw/zinc/50/54/88/1433505488.db2.gz UGKULQIACFYVAQ-FUHWJXTLSA-N 2 2 396.491 3.446 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)C[C@H]1n1cc[nH+]c1 ZINC000245717461 1433505492 /nfs/dbraw/zinc/50/54/92/1433505492.db2.gz UGKULQIACFYVAQ-FUHWJXTLSA-N 2 2 396.491 3.446 20 0 GGADLP COc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245721733 1433505725 /nfs/dbraw/zinc/50/57/25/1433505725.db2.gz PUJFTGIWKBBQBM-FCHUYYIVSA-N 2 2 387.568 3.033 20 0 GGADLP COc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245721733 1433505727 /nfs/dbraw/zinc/50/57/27/1433505727.db2.gz PUJFTGIWKBBQBM-FCHUYYIVSA-N 2 2 387.568 3.033 20 0 GGADLP COc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245721742 1433505931 /nfs/dbraw/zinc/50/59/31/1433505931.db2.gz PUJFTGIWKBBQBM-FGZHOGPDSA-N 2 2 387.568 3.033 20 0 GGADLP COc1cccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245721742 1433505932 /nfs/dbraw/zinc/50/59/32/1433505932.db2.gz PUJFTGIWKBBQBM-FGZHOGPDSA-N 2 2 387.568 3.033 20 0 GGADLP CN(C(=O)CCc1ccsc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245730658 1433507166 /nfs/dbraw/zinc/50/71/66/1433507166.db2.gz RUMAWMOILAKUOA-VQTJNVASSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)CCc1ccsc1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245730658 1433507169 /nfs/dbraw/zinc/50/71/69/1433507169.db2.gz RUMAWMOILAKUOA-VQTJNVASSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)C[C@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737431 1433508700 /nfs/dbraw/zinc/50/87/00/1433508700.db2.gz UAOADKYKRFNBEU-OTWHNJEPSA-N 2 2 399.670 3.021 20 0 GGADLP CN(C(=O)C[C@H]1CSCCS1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737431 1433508707 /nfs/dbraw/zinc/50/87/07/1433508707.db2.gz UAOADKYKRFNBEU-OTWHNJEPSA-N 2 2 399.670 3.021 20 0 GGADLP CN(C(=O)CCOc1ccccc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245755803 1433512294 /nfs/dbraw/zinc/51/22/94/1433512294.db2.gz YKECFJLTNKCVGE-FGZHOGPDSA-N 2 2 387.568 3.251 20 0 GGADLP CN(C(=O)CCOc1ccccc1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245755803 1433512300 /nfs/dbraw/zinc/51/23/00/1433512300.db2.gz YKECFJLTNKCVGE-FGZHOGPDSA-N 2 2 387.568 3.251 20 0 GGADLP CC[C@H](CSC)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245844776 1433525539 /nfs/dbraw/zinc/52/55/39/1433525539.db2.gz DMJUPAVCWOIKMK-QRQLOZEOSA-N 2 2 384.634 3.107 20 0 GGADLP CC[C@H](CSC)NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245844776 1433525545 /nfs/dbraw/zinc/52/55/45/1433525545.db2.gz DMJUPAVCWOIKMK-QRQLOZEOSA-N 2 2 384.634 3.107 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000245864202 1433530063 /nfs/dbraw/zinc/53/00/63/1433530063.db2.gz LEPQIXFLBUGFKY-RHSMWYFYSA-N 2 2 378.314 3.171 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000245864202 1433530066 /nfs/dbraw/zinc/53/00/66/1433530066.db2.gz LEPQIXFLBUGFKY-RHSMWYFYSA-N 2 2 378.314 3.171 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000245866977 1433530205 /nfs/dbraw/zinc/53/02/05/1433530205.db2.gz LNKXJRHGWMDZPQ-DWLFOUALSA-N 2 2 383.536 3.130 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000245866977 1433530211 /nfs/dbraw/zinc/53/02/11/1433530211.db2.gz LNKXJRHGWMDZPQ-DWLFOUALSA-N 2 2 383.536 3.130 20 0 GGADLP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000245984944 1433553457 /nfs/dbraw/zinc/55/34/57/1433553457.db2.gz WCMPYUVFRGTTGA-HOTGVXAUSA-N 2 2 381.480 3.494 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246010869 1433557429 /nfs/dbraw/zinc/55/74/29/1433557429.db2.gz ZNIMYNAQALHKHH-GOEBONIOSA-N 2 2 398.334 3.421 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000246010869 1433557433 /nfs/dbraw/zinc/55/74/33/1433557433.db2.gz ZNIMYNAQALHKHH-GOEBONIOSA-N 2 2 398.334 3.421 20 0 GGADLP CN(C(=O)NC[C@H]1CC=CCC1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246046059 1433561427 /nfs/dbraw/zinc/56/14/27/1433561427.db2.gz AQWDQCWVEMOAPM-CEWLAPEOSA-N 2 2 376.589 3.321 20 0 GGADLP CN(C(=O)NC[C@H]1CC=CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246046059 1433561431 /nfs/dbraw/zinc/56/14/31/1433561431.db2.gz AQWDQCWVEMOAPM-CEWLAPEOSA-N 2 2 376.589 3.321 20 0 GGADLP C[NH+](C)[C@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccccc1Cl ZINC000246060315 1433563078 /nfs/dbraw/zinc/56/30/78/1433563078.db2.gz GIYHCFLVDKEHHU-CRAIPNDOSA-N 2 2 389.931 3.054 20 0 GGADLP CN(C(=O)NC(C1CC1)C1CC1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246086426 1433566537 /nfs/dbraw/zinc/56/65/37/1433566537.db2.gz CGAXPAYNMLXHEF-VQTJNVASSA-N 2 2 376.589 3.154 20 0 GGADLP CN(C(=O)NC(C1CC1)C1CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246086426 1433566541 /nfs/dbraw/zinc/56/65/41/1433566541.db2.gz CGAXPAYNMLXHEF-VQTJNVASSA-N 2 2 376.589 3.154 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113078 1433570724 /nfs/dbraw/zinc/57/07/24/1433570724.db2.gz JUCUOWUARUBIPF-MKRFIIIDSA-N 2 2 382.552 3.289 20 0 GGADLP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000246113078 1433570726 /nfs/dbraw/zinc/57/07/26/1433570726.db2.gz JUCUOWUARUBIPF-MKRFIIIDSA-N 2 2 382.552 3.289 20 0 GGADLP O=C(COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1CC1 ZINC000246118531 1433571171 /nfs/dbraw/zinc/57/11/71/1433571171.db2.gz KEDLOGKCHVPUOL-SIKLNZKXSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCC1CC1 ZINC000246118531 1433571175 /nfs/dbraw/zinc/57/11/75/1433571175.db2.gz KEDLOGKCHVPUOL-SIKLNZKXSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCC1CC1 ZINC000246118531 1433571179 /nfs/dbraw/zinc/57/11/79/1433571179.db2.gz KEDLOGKCHVPUOL-SIKLNZKXSA-N 2 2 397.563 3.040 20 0 GGADLP O=C(COc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCC1CC1 ZINC000246118531 1433571182 /nfs/dbraw/zinc/57/11/82/1433571182.db2.gz KEDLOGKCHVPUOL-SIKLNZKXSA-N 2 2 397.563 3.040 20 0 GGADLP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)c1ccsc1 ZINC000246203221 1433581543 /nfs/dbraw/zinc/58/15/43/1433581543.db2.gz VQTGMAWDPXXBHO-SJLPKXTDSA-N 2 2 389.569 3.242 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246209113 1433582056 /nfs/dbraw/zinc/58/20/56/1433582056.db2.gz XPIFMUMGCCZATQ-RTBURBONSA-N 2 2 389.609 3.465 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000246209113 1433582058 /nfs/dbraw/zinc/58/20/58/1433582058.db2.gz XPIFMUMGCCZATQ-RTBURBONSA-N 2 2 389.609 3.465 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246408714 1433608388 /nfs/dbraw/zinc/60/83/88/1433608388.db2.gz BKNKEWBIGMYYQJ-LDBYXDLTSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246408714 1433608389 /nfs/dbraw/zinc/60/83/89/1433608389.db2.gz BKNKEWBIGMYYQJ-LDBYXDLTSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246408714 1433608390 /nfs/dbraw/zinc/60/83/90/1433608390.db2.gz BKNKEWBIGMYYQJ-LDBYXDLTSA-N 2 2 391.506 3.433 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246408714 1433608391 /nfs/dbraw/zinc/60/83/91/1433608391.db2.gz BKNKEWBIGMYYQJ-LDBYXDLTSA-N 2 2 391.506 3.433 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C)C1 ZINC000246436823 1433612799 /nfs/dbraw/zinc/61/27/99/1433612799.db2.gz OGIJAMJHJOAYFX-WDSOQIARSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)[C@@H](C)C1 ZINC000246436823 1433612802 /nfs/dbraw/zinc/61/28/02/1433612802.db2.gz OGIJAMJHJOAYFX-WDSOQIARSA-N 2 2 393.959 3.172 20 0 GGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000246471403 1433617592 /nfs/dbraw/zinc/61/75/92/1433617592.db2.gz QNKAMZCZEIUQDG-FHWLQOOXSA-N 2 2 375.561 3.086 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)nc[nH+]1 ZINC000246553505 1433630386 /nfs/dbraw/zinc/63/03/86/1433630386.db2.gz WRQKAZWPFNHKON-YSIASYRMSA-N 3 2 386.588 3.120 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000246561813 1433631321 /nfs/dbraw/zinc/63/13/21/1433631321.db2.gz XESSGGSDVQOKOQ-YLJYHZDGSA-N 2 2 377.492 3.174 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000246561813 1433631328 /nfs/dbraw/zinc/63/13/28/1433631328.db2.gz XESSGGSDVQOKOQ-YLJYHZDGSA-N 2 2 377.492 3.174 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000246584376 1433634903 /nfs/dbraw/zinc/63/49/03/1433634903.db2.gz YXROIHQTFGDIFW-QFBILLFUSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000246584376 1433634905 /nfs/dbraw/zinc/63/49/05/1433634905.db2.gz YXROIHQTFGDIFW-QFBILLFUSA-N 2 2 381.499 3.150 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246674819 1433648224 /nfs/dbraw/zinc/64/82/24/1433648224.db2.gz FTPHAGOMPOVHMK-GJZGRUSLSA-N 2 2 392.450 3.303 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246674819 1433648225 /nfs/dbraw/zinc/64/82/25/1433648225.db2.gz FTPHAGOMPOVHMK-GJZGRUSLSA-N 2 2 392.450 3.303 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000246812417 1433672493 /nfs/dbraw/zinc/67/24/93/1433672493.db2.gz AQKBNESDURWAEP-AUSIDOKSSA-N 2 2 375.520 3.327 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000246812417 1433672498 /nfs/dbraw/zinc/67/24/98/1433672498.db2.gz AQKBNESDURWAEP-AUSIDOKSSA-N 2 2 375.520 3.327 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246820567 1433673953 /nfs/dbraw/zinc/67/39/53/1433673953.db2.gz NSXQZHZNMATYPI-MGPUTAFESA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246820567 1433673956 /nfs/dbraw/zinc/67/39/56/1433673956.db2.gz NSXQZHZNMATYPI-MGPUTAFESA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246820567 1433673961 /nfs/dbraw/zinc/67/39/61/1433673961.db2.gz NSXQZHZNMATYPI-MGPUTAFESA-N 2 2 393.934 3.386 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246820567 1433673967 /nfs/dbraw/zinc/67/39/67/1433673967.db2.gz NSXQZHZNMATYPI-MGPUTAFESA-N 2 2 393.934 3.386 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000246831915 1433675986 /nfs/dbraw/zinc/67/59/86/1433675986.db2.gz ALQUYJYZNDKIHT-NSISKUIASA-N 2 2 393.453 3.332 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000246831915 1433675989 /nfs/dbraw/zinc/67/59/89/1433675989.db2.gz ALQUYJYZNDKIHT-NSISKUIASA-N 2 2 393.453 3.332 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000246912122 1433686636 /nfs/dbraw/zinc/68/66/36/1433686636.db2.gz HNTNYJMNLZCZHU-GBXCKJPGSA-N 3 2 396.579 3.412 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000246912122 1433686638 /nfs/dbraw/zinc/68/66/38/1433686638.db2.gz HNTNYJMNLZCZHU-GBXCKJPGSA-N 3 2 396.579 3.412 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246928266 1433688315 /nfs/dbraw/zinc/68/83/15/1433688315.db2.gz SWCXDYAQNMSNHJ-RYLXDESZSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246928266 1433688316 /nfs/dbraw/zinc/68/83/16/1433688316.db2.gz SWCXDYAQNMSNHJ-RYLXDESZSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246928266 1433688317 /nfs/dbraw/zinc/68/83/17/1433688317.db2.gz SWCXDYAQNMSNHJ-RYLXDESZSA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246928266 1433688318 /nfs/dbraw/zinc/68/83/18/1433688318.db2.gz SWCXDYAQNMSNHJ-RYLXDESZSA-N 2 2 385.552 3.210 20 0 GGADLP CN(C(=O)NCCc1cccs1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000247192436 1433689874 /nfs/dbraw/zinc/68/98/74/1433689874.db2.gz YKHKBZKFUQCMQY-WOJBJXKFSA-N 2 2 392.613 3.269 20 0 GGADLP CN(C(=O)NCCc1cccs1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000247192436 1433689875 /nfs/dbraw/zinc/68/98/75/1433689875.db2.gz YKHKBZKFUQCMQY-WOJBJXKFSA-N 2 2 392.613 3.269 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000247251658 1433696501 /nfs/dbraw/zinc/69/65/01/1433696501.db2.gz ZYKKUEUYROBXJD-NXHRZFHOSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000247251658 1433696505 /nfs/dbraw/zinc/69/65/05/1433696505.db2.gz ZYKKUEUYROBXJD-NXHRZFHOSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@H]([N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000247251658 1433696510 /nfs/dbraw/zinc/69/65/10/1433696510.db2.gz ZYKKUEUYROBXJD-NXHRZFHOSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@H]([N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000247251658 1433696514 /nfs/dbraw/zinc/69/65/14/1433696514.db2.gz ZYKKUEUYROBXJD-NXHRZFHOSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000247334568 1433709232 /nfs/dbraw/zinc/70/92/32/1433709232.db2.gz GMYAIVPXKATPIS-NRSPTQNISA-N 2 2 381.524 3.313 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C[N@@H+]1C1CC1 ZINC000247535304 1433734561 /nfs/dbraw/zinc/73/45/61/1433734561.db2.gz POWDEXLQQLLEJA-UWGQAIRJSA-N 2 2 379.508 3.036 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)C[N@H+]1C1CC1 ZINC000247535304 1433734566 /nfs/dbraw/zinc/73/45/66/1433734566.db2.gz POWDEXLQQLLEJA-UWGQAIRJSA-N 2 2 379.508 3.036 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000247576264 1433738972 /nfs/dbraw/zinc/73/89/72/1433738972.db2.gz HUVASWQMGPUXSL-ZHALLVOQSA-N 2 2 382.508 3.111 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000247576264 1433738980 /nfs/dbraw/zinc/73/89/80/1433738980.db2.gz HUVASWQMGPUXSL-ZHALLVOQSA-N 2 2 382.508 3.111 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000247621158 1433740267 /nfs/dbraw/zinc/74/02/67/1433740267.db2.gz NEXBPEMZANEBGT-UKAVVXHISA-N 2 2 381.524 3.139 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000247621158 1433740274 /nfs/dbraw/zinc/74/02/74/1433740274.db2.gz NEXBPEMZANEBGT-UKAVVXHISA-N 2 2 381.524 3.139 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)[NH+]2CCCC2)o1 ZINC000247652902 1433743190 /nfs/dbraw/zinc/74/31/90/1433743190.db2.gz PJKUTOPQXATJND-NEWSRXKRSA-N 2 2 385.512 3.214 20 0 GGADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000247771888 1433750367 /nfs/dbraw/zinc/75/03/67/1433750367.db2.gz PJQLPODIPBSUEM-MSOLQXFVSA-N 2 2 397.523 3.436 20 0 GGADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000247771888 1433750370 /nfs/dbraw/zinc/75/03/70/1433750370.db2.gz PJQLPODIPBSUEM-MSOLQXFVSA-N 2 2 397.523 3.436 20 0 GGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000247796803 1433751576 /nfs/dbraw/zinc/75/15/76/1433751576.db2.gz ZSNINUOJUQYLIX-OTWHNJEPSA-N 2 2 375.561 3.376 20 0 GGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000247796803 1433751581 /nfs/dbraw/zinc/75/15/81/1433751581.db2.gz ZSNINUOJUQYLIX-OTWHNJEPSA-N 2 2 375.561 3.376 20 0 GGADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000247796799 1433751752 /nfs/dbraw/zinc/75/17/52/1433751752.db2.gz ZSNINUOJUQYLIX-GUDVDZBRSA-N 2 2 375.561 3.376 20 0 GGADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C1 ZINC000247796799 1433751753 /nfs/dbraw/zinc/75/17/53/1433751753.db2.gz ZSNINUOJUQYLIX-GUDVDZBRSA-N 2 2 375.561 3.376 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247932271 1433757259 /nfs/dbraw/zinc/75/72/59/1433757259.db2.gz CDPRXTYEYURSSO-CPUCHLNUSA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247932271 1433757262 /nfs/dbraw/zinc/75/72/62/1433757262.db2.gz CDPRXTYEYURSSO-CPUCHLNUSA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247932271 1433757265 /nfs/dbraw/zinc/75/72/65/1433757265.db2.gz CDPRXTYEYURSSO-CPUCHLNUSA-N 2 2 385.430 3.328 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247932271 1433757270 /nfs/dbraw/zinc/75/72/70/1433757270.db2.gz CDPRXTYEYURSSO-CPUCHLNUSA-N 2 2 385.430 3.328 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000247942402 1433758055 /nfs/dbraw/zinc/75/80/55/1433758055.db2.gz GJZGTZTYAIZKLU-VQTJNVASSA-N 2 2 375.557 3.277 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000247942402 1433758061 /nfs/dbraw/zinc/75/80/61/1433758061.db2.gz GJZGTZTYAIZKLU-VQTJNVASSA-N 2 2 375.557 3.277 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000247970006 1433760079 /nfs/dbraw/zinc/76/00/79/1433760079.db2.gz IXMBCZBKQCVJHJ-AUSIDOKSSA-N 2 2 375.520 3.327 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(Cn2cccn2)cc1 ZINC000247970006 1433760082 /nfs/dbraw/zinc/76/00/82/1433760082.db2.gz IXMBCZBKQCVJHJ-AUSIDOKSSA-N 2 2 375.520 3.327 20 0 GGADLP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1 ZINC000247974854 1433760463 /nfs/dbraw/zinc/76/04/63/1433760463.db2.gz HSGVALYDVDNMED-DYESRHJHSA-N 2 2 399.535 3.150 20 0 GGADLP COc1cc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c(OC)c1 ZINC000247974854 1433760467 /nfs/dbraw/zinc/76/04/67/1433760467.db2.gz HSGVALYDVDNMED-DYESRHJHSA-N 2 2 399.535 3.150 20 0 GGADLP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000248166646 1433776775 /nfs/dbraw/zinc/77/67/75/1433776775.db2.gz TWHHJIHCTAVMII-YFXJRYMSSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000248166646 1433776782 /nfs/dbraw/zinc/77/67/82/1433776782.db2.gz TWHHJIHCTAVMII-YFXJRYMSSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000248166644 1433776989 /nfs/dbraw/zinc/77/69/89/1433776989.db2.gz TWHHJIHCTAVMII-SXSPYAJSSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000248166644 1433776993 /nfs/dbraw/zinc/77/69/93/1433776993.db2.gz TWHHJIHCTAVMII-SXSPYAJSSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000248166639 1433777005 /nfs/dbraw/zinc/77/70/05/1433777005.db2.gz TWHHJIHCTAVMII-CDNPAEQRSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000248166639 1433777010 /nfs/dbraw/zinc/77/70/10/1433777010.db2.gz TWHHJIHCTAVMII-CDNPAEQRSA-N 2 2 383.536 3.402 20 0 GGADLP OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000248181433 1433778710 /nfs/dbraw/zinc/77/87/10/1433778710.db2.gz WMVWPBFRPKLSOW-ZCYQVOJMSA-N 2 2 393.575 3.124 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000248388806 1433793070 /nfs/dbraw/zinc/79/30/70/1433793070.db2.gz RNPIPXAITBCVMI-LAUBAEHRSA-N 2 2 380.492 3.038 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000248388806 1433793080 /nfs/dbraw/zinc/79/30/80/1433793080.db2.gz RNPIPXAITBCVMI-LAUBAEHRSA-N 2 2 380.492 3.038 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000248392275 1433794108 /nfs/dbraw/zinc/79/41/08/1433794108.db2.gz FFAFVXKQQNWCBB-IGOJGBNBSA-N 2 2 382.533 3.002 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cc(=O)n2ccsc2n1 ZINC000248392275 1433794109 /nfs/dbraw/zinc/79/41/09/1433794109.db2.gz FFAFVXKQQNWCBB-IGOJGBNBSA-N 2 2 382.533 3.002 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000248394786 1433794896 /nfs/dbraw/zinc/79/48/96/1433794896.db2.gz FWOGTLXGQRQCHS-PKOBYXMFSA-N 2 2 376.545 3.187 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000248394786 1433794909 /nfs/dbraw/zinc/79/49/09/1433794909.db2.gz FWOGTLXGQRQCHS-PKOBYXMFSA-N 2 2 376.545 3.187 20 0 GGADLP CO[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000248415249 1433800959 /nfs/dbraw/zinc/80/09/59/1433800959.db2.gz NXUWZYHKHJITIH-BDTNDASRSA-N 2 2 387.568 3.170 20 0 GGADLP CO[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000248415249 1433800960 /nfs/dbraw/zinc/80/09/60/1433800960.db2.gz NXUWZYHKHJITIH-BDTNDASRSA-N 2 2 387.568 3.170 20 0 GGADLP CN(C(=O)Nc1ccc(F)cn1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248549956 1433807917 /nfs/dbraw/zinc/80/79/17/1433807917.db2.gz HPFGPAMFIKSRFH-QZTJIDSGSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccc(F)cn1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248549956 1433807919 /nfs/dbraw/zinc/80/79/19/1433807919.db2.gz HPFGPAMFIKSRFH-QZTJIDSGSA-N 2 2 377.508 3.022 20 0 GGADLP Cc1cnc([C@H]([NH2+][C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000248583369 1433809766 /nfs/dbraw/zinc/80/97/66/1433809766.db2.gz PEQZQOCQAAJIMQ-LSTHTHJFSA-N 2 2 398.576 3.271 20 0 GGADLP Cc1cnc([C@H]([NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C2CC2)s1 ZINC000248583369 1433809767 /nfs/dbraw/zinc/80/97/67/1433809767.db2.gz PEQZQOCQAAJIMQ-LSTHTHJFSA-N 2 2 398.576 3.271 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000248641758 1433813265 /nfs/dbraw/zinc/81/32/65/1433813265.db2.gz OLLVLTRMTBPYHX-JIRFCBSGSA-N 2 2 380.536 3.107 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000248641758 1433813266 /nfs/dbraw/zinc/81/32/66/1433813266.db2.gz OLLVLTRMTBPYHX-JIRFCBSGSA-N 2 2 380.536 3.107 20 0 GGADLP CSC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000248647621 1433813503 /nfs/dbraw/zinc/81/35/03/1433813503.db2.gz IMXHRBHFYUXRMO-RTBURBONSA-N 2 2 396.645 3.251 20 0 GGADLP CSC1(CNC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)CCC1 ZINC000248647621 1433813504 /nfs/dbraw/zinc/81/35/04/1433813504.db2.gz IMXHRBHFYUXRMO-RTBURBONSA-N 2 2 396.645 3.251 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000248727709 1433818147 /nfs/dbraw/zinc/81/81/47/1433818147.db2.gz LKSDCMGEQHNVEI-TYCQWZJGSA-N 2 2 385.939 3.379 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000248727709 1433818148 /nfs/dbraw/zinc/81/81/48/1433818148.db2.gz LKSDCMGEQHNVEI-TYCQWZJGSA-N 2 2 385.939 3.379 20 0 GGADLP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248825320 1433824304 /nfs/dbraw/zinc/82/43/04/1433824304.db2.gz LVJRJXODWSKRMG-QZTJIDSGSA-N 2 2 378.586 3.114 20 0 GGADLP CC(C)C[N@H+]1CC[C@H](CNC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)C1 ZINC000248825320 1433824305 /nfs/dbraw/zinc/82/43/05/1433824305.db2.gz LVJRJXODWSKRMG-QZTJIDSGSA-N 2 2 378.586 3.114 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248829349 1433824622 /nfs/dbraw/zinc/82/46/22/1433824622.db2.gz DTQOMZKAPRVFAQ-JCTONOIOSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248829349 1433824623 /nfs/dbraw/zinc/82/46/23/1433824623.db2.gz DTQOMZKAPRVFAQ-JCTONOIOSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248829349 1433824625 /nfs/dbraw/zinc/82/46/25/1433824625.db2.gz DTQOMZKAPRVFAQ-JCTONOIOSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248829349 1433824626 /nfs/dbraw/zinc/82/46/26/1433824626.db2.gz DTQOMZKAPRVFAQ-JCTONOIOSA-N 3 2 378.564 3.404 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000248849211 1433825498 /nfs/dbraw/zinc/82/54/98/1433825498.db2.gz ONOLIWNHDMIEKY-WIYYLYMNSA-N 2 2 389.503 3.192 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000248849211 1433825499 /nfs/dbraw/zinc/82/54/99/1433825499.db2.gz ONOLIWNHDMIEKY-WIYYLYMNSA-N 2 2 389.503 3.192 20 0 GGADLP C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000249133440 1433836694 /nfs/dbraw/zinc/83/66/94/1433836694.db2.gz TUJBNYNXZVLNKY-FKAKGIQBSA-N 2 2 383.536 3.304 20 0 GGADLP C[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000249133440 1433836695 /nfs/dbraw/zinc/83/66/95/1433836695.db2.gz TUJBNYNXZVLNKY-FKAKGIQBSA-N 2 2 383.536 3.304 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000249389960 1433842423 /nfs/dbraw/zinc/84/24/23/1433842423.db2.gz RTFICAZPXYQFCY-QFBILLFUSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cccc(SC)c2)[C@@H](C)C1 ZINC000249389960 1433842424 /nfs/dbraw/zinc/84/24/24/1433842424.db2.gz RTFICAZPXYQFCY-QFBILLFUSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000249392909 1433842576 /nfs/dbraw/zinc/84/25/76/1433842576.db2.gz AKWMOUVMPHOXKT-YOEHRIQHSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000249392909 1433842577 /nfs/dbraw/zinc/84/25/77/1433842577.db2.gz AKWMOUVMPHOXKT-YOEHRIQHSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000249396910 1433842674 /nfs/dbraw/zinc/84/26/74/1433842674.db2.gz BGCCWYWKVMBIKM-WMZOPIPTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C)[C@@H](C)C1 ZINC000249396910 1433842676 /nfs/dbraw/zinc/84/26/76/1433842676.db2.gz BGCCWYWKVMBIKM-WMZOPIPTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)[C@@H](C)C1 ZINC000249403812 1433842835 /nfs/dbraw/zinc/84/28/35/1433842835.db2.gz CTENVUDXASEVCM-BJLQDIEVSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc3ncccc32)[C@@H](C)C1 ZINC000249403812 1433842836 /nfs/dbraw/zinc/84/28/36/1433842836.db2.gz CTENVUDXASEVCM-BJLQDIEVSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)[C@@H](C)C1 ZINC000249404730 1433842984 /nfs/dbraw/zinc/84/29/84/1433842984.db2.gz CTENVUDXASEVCM-NSHGMRRFSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc3ncccc32)[C@@H](C)C1 ZINC000249404730 1433842986 /nfs/dbraw/zinc/84/29/86/1433842986.db2.gz CTENVUDXASEVCM-NSHGMRRFSA-N 2 2 398.551 3.288 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)[C@@H](C)C1 ZINC000249420297 1433843466 /nfs/dbraw/zinc/84/34/66/1433843466.db2.gz HJLQXRHYLLTTDH-DAYGRLMNSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2F)[C@@H](C)C1 ZINC000249420297 1433843467 /nfs/dbraw/zinc/84/34/67/1433843467.db2.gz HJLQXRHYLLTTDH-DAYGRLMNSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)[C@@H](C)C1 ZINC000249420299 1433843535 /nfs/dbraw/zinc/84/35/35/1433843535.db2.gz HJLQXRHYLLTTDH-MPGHIAIKSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)[C@@H](C)C1 ZINC000249420299 1433843537 /nfs/dbraw/zinc/84/35/37/1433843537.db2.gz HJLQXRHYLLTTDH-MPGHIAIKSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000249434213 1433843763 /nfs/dbraw/zinc/84/37/63/1433843763.db2.gz KMBAVJOFTPRUBX-YOEHRIQHSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000249434213 1433843764 /nfs/dbraw/zinc/84/37/64/1433843764.db2.gz KMBAVJOFTPRUBX-YOEHRIQHSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2Cl)[C@@H](C)C1 ZINC000249456220 1433844256 /nfs/dbraw/zinc/84/42/56/1433844256.db2.gz PQZKPNKLCRLEHB-JZXOWHBKSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2Cl)[C@@H](C)C1 ZINC000249456220 1433844258 /nfs/dbraw/zinc/84/42/58/1433844258.db2.gz PQZKPNKLCRLEHB-JZXOWHBKSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000249462089 1433844368 /nfs/dbraw/zinc/84/43/68/1433844368.db2.gz REXSZMOCGUZCIR-KSSFIOAISA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)[C@@H](C)C1 ZINC000249462089 1433844369 /nfs/dbraw/zinc/84/43/69/1433844369.db2.gz REXSZMOCGUZCIR-KSSFIOAISA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000249467700 1433844554 /nfs/dbraw/zinc/84/45/54/1433844554.db2.gz SURILNNRYYXDEP-LPHOPBHVSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000249467700 1433844555 /nfs/dbraw/zinc/84/45/55/1433844555.db2.gz SURILNNRYYXDEP-LPHOPBHVSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC000249476446 1433844693 /nfs/dbraw/zinc/84/46/93/1433844693.db2.gz VTJTXSFGODXSDZ-LMMKCTJWSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cc(F)ccc2C)[C@H](C)C1 ZINC000249476446 1433844694 /nfs/dbraw/zinc/84/46/94/1433844694.db2.gz VTJTXSFGODXSDZ-LMMKCTJWSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000249479565 1433844746 /nfs/dbraw/zinc/84/47/46/1433844746.db2.gz WLJUBTNDOJNVDJ-YJBOKZPZSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000249479565 1433844747 /nfs/dbraw/zinc/84/47/47/1433844747.db2.gz WLJUBTNDOJNVDJ-YJBOKZPZSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC000249476448 1433844752 /nfs/dbraw/zinc/84/47/52/1433844752.db2.gz VTJTXSFGODXSDZ-LNLFQRSKSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2C)[C@@H](C)C1 ZINC000249476448 1433844753 /nfs/dbraw/zinc/84/47/53/1433844753.db2.gz VTJTXSFGODXSDZ-LNLFQRSKSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000249490871 1433845107 /nfs/dbraw/zinc/84/51/07/1433845107.db2.gz ZHZLSDYIENFXHR-DOTOQJQBSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000249490871 1433845108 /nfs/dbraw/zinc/84/51/08/1433845108.db2.gz ZHZLSDYIENFXHR-DOTOQJQBSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000249504473 1433845356 /nfs/dbraw/zinc/84/53/56/1433845356.db2.gz YCUHOGXJJHBPNQ-LNLFQRSKSA-N 2 2 379.520 3.188 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000249504473 1433845359 /nfs/dbraw/zinc/84/53/59/1433845359.db2.gz YCUHOGXJJHBPNQ-LNLFQRSKSA-N 2 2 379.520 3.188 20 0 GGADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000249755288 1433851136 /nfs/dbraw/zinc/85/11/36/1433851136.db2.gz CQOHNASOWIFBEP-QRVBRYPASA-N 2 2 387.572 3.238 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000250203517 1433854900 /nfs/dbraw/zinc/85/49/00/1433854900.db2.gz PBRVIEVQKUJYIL-YYDVJCTNSA-N 2 2 395.547 3.215 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)O1 ZINC000250203517 1433854902 /nfs/dbraw/zinc/85/49/02/1433854902.db2.gz PBRVIEVQKUJYIL-YYDVJCTNSA-N 2 2 395.547 3.215 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)O1 ZINC000250203510 1433854915 /nfs/dbraw/zinc/85/49/15/1433854915.db2.gz PBRVIEVQKUJYIL-PWHSHALESA-N 2 2 395.547 3.215 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(C)C)cc1 ZINC000252692404 1433864217 /nfs/dbraw/zinc/86/42/17/1433864217.db2.gz BHHANLJUAWWODG-BPUDTRNYSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C(C)C)cc1 ZINC000252692404 1433864220 /nfs/dbraw/zinc/86/42/20/1433864220.db2.gz BHHANLJUAWWODG-BPUDTRNYSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C(C)C)cc1 ZINC000252692404 1433864221 /nfs/dbraw/zinc/86/42/21/1433864221.db2.gz BHHANLJUAWWODG-BPUDTRNYSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C(C)C)cc1 ZINC000252692404 1433864222 /nfs/dbraw/zinc/86/42/22/1433864222.db2.gz BHHANLJUAWWODG-BPUDTRNYSA-N 2 2 399.579 3.457 20 0 GGADLP CN(C(=O)Cc1noc2ccccc21)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000252726713 1433864388 /nfs/dbraw/zinc/86/43/88/1433864388.db2.gz DWKWODWJKREEJD-LEWJYISDSA-N 2 2 398.551 3.166 20 0 GGADLP CN(C(=O)Cc1noc2ccccc21)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000252726713 1433864390 /nfs/dbraw/zinc/86/43/90/1433864390.db2.gz DWKWODWJKREEJD-LEWJYISDSA-N 2 2 398.551 3.166 20 0 GGADLP C(=C\C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)\C[NH+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255337879 1433880832 /nfs/dbraw/zinc/88/08/32/1433880832.db2.gz IDIBDCILPUSWHZ-JYWJTCDSSA-N 4 2 388.644 3.158 20 0 GGADLP C(=C\C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)\C[NH+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000255337879 1433880833 /nfs/dbraw/zinc/88/08/33/1433880833.db2.gz IDIBDCILPUSWHZ-JYWJTCDSSA-N 4 2 388.644 3.158 20 0 GGADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000261663012 1433898465 /nfs/dbraw/zinc/89/84/65/1433898465.db2.gz IJTAJQWTUAUTOW-HYBUGGRVSA-N 2 2 390.531 3.087 20 0 GGADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)C1 ZINC000261663012 1433898467 /nfs/dbraw/zinc/89/84/67/1433898467.db2.gz IJTAJQWTUAUTOW-HYBUGGRVSA-N 2 2 390.531 3.087 20 0 GGADLP [NH3+][C@@H]1C[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000261711057 1433899739 /nfs/dbraw/zinc/89/97/39/1433899739.db2.gz KIOAKVJHYRMJMP-ZWKOTPCHSA-N 2 2 377.410 3.461 20 0 GGADLP [NH3+][C@@H]1C[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C[C@H]1c1ccccc1 ZINC000261711057 1433899740 /nfs/dbraw/zinc/89/97/40/1433899740.db2.gz KIOAKVJHYRMJMP-ZWKOTPCHSA-N 2 2 377.410 3.461 20 0 GGADLP Cc1ccc(-c2ncc(C[NH+]3CCC(c4nnc5n4CC[NH2+]C5)CC3)s2)cc1 ZINC000261756771 1433902115 /nfs/dbraw/zinc/90/21/15/1433902115.db2.gz NZEUHMARGQEXMC-UHFFFAOYSA-N 2 2 394.548 3.193 20 0 GGADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000261827788 1433905766 /nfs/dbraw/zinc/90/57/66/1433905766.db2.gz BAZWGCMKSPFGNR-UHFFFAOYSA-N 2 2 388.737 3.363 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000262395962 1433937586 /nfs/dbraw/zinc/93/75/86/1433937586.db2.gz OTOWGFDLFSZWFM-CPIDIKAKSA-N 2 2 385.552 3.388 20 0 GGADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1)[C@H](C)[NH3+] ZINC000262544979 1433942863 /nfs/dbraw/zinc/94/28/63/1433942863.db2.gz UUSQATRJFMESGB-CABCVRRESA-N 2 2 375.513 3.182 20 0 GGADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000262667996 1433948866 /nfs/dbraw/zinc/94/88/66/1433948866.db2.gz QJWKMUUSOQDMNU-RTBURBONSA-N 2 2 391.437 3.404 20 0 GGADLP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000262667996 1433948867 /nfs/dbraw/zinc/94/88/67/1433948867.db2.gz QJWKMUUSOQDMNU-RTBURBONSA-N 2 2 391.437 3.404 20 0 GGADLP CC(C)[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262983571 1433973243 /nfs/dbraw/zinc/97/32/43/1433973243.db2.gz NIVVYNUJBBPEOD-AHIWAGSCSA-N 2 2 387.446 3.236 20 0 GGADLP CC(C)[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000262983571 1433973248 /nfs/dbraw/zinc/97/32/48/1433973248.db2.gz NIVVYNUJBBPEOD-AHIWAGSCSA-N 2 2 387.446 3.236 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)NCc1cccnc1-n1cc[nH+]c1C)c1ccco1 ZINC000263685253 1434020625 /nfs/dbraw/zinc/02/06/25/1434020625.db2.gz FMUFRVPRIZEFGB-GOSISDBHSA-N 2 2 396.495 3.051 20 0 GGADLP Cn1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000263865507 1434043301 /nfs/dbraw/zinc/04/33/01/1434043301.db2.gz YNZHWRYXDUXQIQ-UHFFFAOYSA-N 2 2 375.520 3.032 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCC2)cc1 ZINC000263927826 1434049525 /nfs/dbraw/zinc/04/95/25/1434049525.db2.gz AVDHWSYXSXPMLS-UXHICEINSA-N 2 2 381.524 3.444 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)[NH+]2CCCC2)cc1 ZINC000263927832 1434049571 /nfs/dbraw/zinc/04/95/71/1434049571.db2.gz AVDHWSYXSXPMLS-WOJBJXKFSA-N 2 2 381.524 3.444 20 0 GGADLP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263962465 1434054224 /nfs/dbraw/zinc/05/42/24/1434054224.db2.gz RHXGJVLVIUFMMV-IAGOWNOFSA-N 2 2 387.553 3.272 20 0 GGADLP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263962465 1434054225 /nfs/dbraw/zinc/05/42/25/1434054225.db2.gz RHXGJVLVIUFMMV-IAGOWNOFSA-N 2 2 387.553 3.272 20 0 GGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000263967241 1434055131 /nfs/dbraw/zinc/05/51/31/1434055131.db2.gz UWQULGYMZAJPCB-FQEVSTJZSA-N 2 2 381.524 3.485 20 0 GGADLP COc1cccc([C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+]2CCCC2)c1 ZINC000264046332 1434066031 /nfs/dbraw/zinc/06/60/31/1434066031.db2.gz LCKDWJREUYWDSI-OAQYLSRUSA-N 2 2 397.523 3.075 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000264129000 1434074045 /nfs/dbraw/zinc/07/40/45/1434074045.db2.gz YAMCRGNUMOKSLS-HDICACEKSA-N 2 2 388.556 3.149 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000264129000 1434074047 /nfs/dbraw/zinc/07/40/47/1434074047.db2.gz YAMCRGNUMOKSLS-HDICACEKSA-N 2 2 388.556 3.149 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000264276760 1434091540 /nfs/dbraw/zinc/09/15/40/1434091540.db2.gz QPXDTIBMNXPPGD-NRFANRHFSA-N 2 2 381.524 3.091 20 0 GGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cccc(C(N)=O)c1 ZINC000264597764 1434132591 /nfs/dbraw/zinc/13/25/91/1434132591.db2.gz CMLVBLATLGGTCL-UHFFFAOYSA-N 2 2 392.503 3.473 20 0 GGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cccc(C(N)=O)c1 ZINC000264597764 1434132594 /nfs/dbraw/zinc/13/25/94/1434132594.db2.gz CMLVBLATLGGTCL-UHFFFAOYSA-N 2 2 392.503 3.473 20 0 GGADLP CC[N@H+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC000264694023 1434144848 /nfs/dbraw/zinc/14/48/48/1434144848.db2.gz HZENGRNZMIGGMA-JOCHJYFZSA-N 2 2 398.551 3.313 20 0 GGADLP CC[N@@H+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1)c1ccccc1 ZINC000264694023 1434144852 /nfs/dbraw/zinc/14/48/52/1434144852.db2.gz HZENGRNZMIGGMA-JOCHJYFZSA-N 2 2 398.551 3.313 20 0 GGADLP Cc1ccccc1[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000264882175 1434161821 /nfs/dbraw/zinc/16/18/21/1434161821.db2.gz USGWPAJCVHFAPH-QFIPXVFZSA-N 2 2 384.568 3.304 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000264900810 1434163426 /nfs/dbraw/zinc/16/34/26/1434163426.db2.gz LNXSLZQGXJPHCK-UHFFFAOYSA-N 2 2 399.560 3.406 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000264900810 1434163427 /nfs/dbraw/zinc/16/34/27/1434163427.db2.gz LNXSLZQGXJPHCK-UHFFFAOYSA-N 2 2 399.560 3.406 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265679298 1434255846 /nfs/dbraw/zinc/25/58/46/1434255846.db2.gz BIGTZCDSWAWKCQ-UHFFFAOYSA-N 2 2 381.524 3.091 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265679298 1434255849 /nfs/dbraw/zinc/25/58/49/1434255849.db2.gz BIGTZCDSWAWKCQ-UHFFFAOYSA-N 2 2 381.524 3.091 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cccc4c3OC(C)(C)C4)cc2)CC1 ZINC000265680330 1434256250 /nfs/dbraw/zinc/25/62/50/1434256250.db2.gz ZYEPGFZDJYOEJO-UHFFFAOYSA-N 2 2 393.531 3.078 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000265776553 1434264306 /nfs/dbraw/zinc/26/43/06/1434264306.db2.gz FEGRIJLIUQVWJV-SFHVURJKSA-N 2 2 383.496 3.054 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000266429563 1434335235 /nfs/dbraw/zinc/33/52/35/1434335235.db2.gz XMBNAUZSNMAFHM-HNNXBMFYSA-N 2 2 390.557 3.482 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000266429563 1434335237 /nfs/dbraw/zinc/33/52/37/1434335237.db2.gz XMBNAUZSNMAFHM-HNNXBMFYSA-N 2 2 390.557 3.482 20 0 GGADLP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000266590924 1434352238 /nfs/dbraw/zinc/35/22/38/1434352238.db2.gz SQZCVUMPITVQAW-UHFFFAOYSA-N 2 2 395.507 3.306 20 0 GGADLP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000266590924 1434352240 /nfs/dbraw/zinc/35/22/40/1434352240.db2.gz SQZCVUMPITVQAW-UHFFFAOYSA-N 2 2 395.507 3.306 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266851115 1434381904 /nfs/dbraw/zinc/38/19/04/1434381904.db2.gz IZAZPIGKPQLCHA-QGZVFWFLSA-N 2 2 398.532 3.033 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000267193586 1434413293 /nfs/dbraw/zinc/41/32/93/1434413293.db2.gz HXAIBTJLYHRGEY-HLAWJBBLSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000267193586 1434413295 /nfs/dbraw/zinc/41/32/95/1434413295.db2.gz HXAIBTJLYHRGEY-HLAWJBBLSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000267193586 1434413298 /nfs/dbraw/zinc/41/32/98/1434413298.db2.gz HXAIBTJLYHRGEY-HLAWJBBLSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000267193586 1434413301 /nfs/dbraw/zinc/41/33/01/1434413301.db2.gz HXAIBTJLYHRGEY-HLAWJBBLSA-N 2 2 395.551 3.008 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267301572 1434420716 /nfs/dbraw/zinc/42/07/16/1434420716.db2.gz KPGNKSPPSZAXCQ-UHFFFAOYSA-N 2 2 381.524 3.138 20 0 GGADLP O=C(Nc1ccccc1C[NH+]1CCSCC1)N1CCC(c2[nH]cc[nH+]2)CC1 ZINC000267434016 1434432459 /nfs/dbraw/zinc/43/24/59/1434432459.db2.gz HNJYFWMQRBMQFH-UHFFFAOYSA-N 2 2 385.537 3.370 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000267441883 1434433725 /nfs/dbraw/zinc/43/37/25/1434433725.db2.gz JXTYDRMPQQNNRO-OALUTQOASA-N 2 2 388.556 3.275 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)C1 ZINC000267441883 1434433728 /nfs/dbraw/zinc/43/37/28/1434433728.db2.gz JXTYDRMPQQNNRO-OALUTQOASA-N 2 2 388.556 3.275 20 0 GGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@@H+]1Cc1ccccc1 ZINC000267480503 1434438941 /nfs/dbraw/zinc/43/89/41/1434438941.db2.gz BYXPKLTYSGQYOF-GIVPXCGWSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC[N@H+]1Cc1ccccc1 ZINC000267480503 1434438945 /nfs/dbraw/zinc/43/89/45/1434438945.db2.gz BYXPKLTYSGQYOF-GIVPXCGWSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000267480503 1434438948 /nfs/dbraw/zinc/43/89/48/1434438948.db2.gz BYXPKLTYSGQYOF-GIVPXCGWSA-N 2 2 395.551 3.150 20 0 GGADLP C[C@@H]1C[C@@H](Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000267480503 1434438950 /nfs/dbraw/zinc/43/89/50/1434438950.db2.gz BYXPKLTYSGQYOF-GIVPXCGWSA-N 2 2 395.551 3.150 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000267490695 1434440088 /nfs/dbraw/zinc/44/00/88/1434440088.db2.gz NMWCJBJBFHXDEK-UHFFFAOYSA-N 2 2 378.476 3.342 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000268291221 1434509241 /nfs/dbraw/zinc/50/92/41/1434509241.db2.gz BJTYYFOSDPGHJC-WKDRNLAYSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1n1cc[nH+]c1 ZINC000268291221 1434509244 /nfs/dbraw/zinc/50/92/44/1434509244.db2.gz BJTYYFOSDPGHJC-WKDRNLAYSA-N 2 2 395.551 3.386 20 0 GGADLP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000268393186 1434518633 /nfs/dbraw/zinc/51/86/33/1434518633.db2.gz RHSQJFAFSWYXSU-NQIIRXRSSA-N 2 2 384.524 3.327 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268529171 1434530156 /nfs/dbraw/zinc/53/01/56/1434530156.db2.gz HXIXQYLJRGENSP-FXAWDEMLSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000268529171 1434530159 /nfs/dbraw/zinc/53/01/59/1434530159.db2.gz HXIXQYLJRGENSP-FXAWDEMLSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268546239 1434532195 /nfs/dbraw/zinc/53/21/95/1434532195.db2.gz OGBCASWZGBTLRH-GGPKGHCWSA-N 2 2 395.551 3.455 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268546241 1434532306 /nfs/dbraw/zinc/53/23/06/1434532306.db2.gz OGBCASWZGBTLRH-IZZBFERCSA-N 2 2 395.551 3.455 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000268546241 1434532310 /nfs/dbraw/zinc/53/23/10/1434532310.db2.gz OGBCASWZGBTLRH-IZZBFERCSA-N 2 2 395.551 3.455 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000268546245 1434532361 /nfs/dbraw/zinc/53/23/61/1434532361.db2.gz OGBCASWZGBTLRH-QWFCFKBJSA-N 2 2 395.551 3.455 20 0 GGADLP CCOc1ccccc1C[N@@H+](CCCc1nc(C)no1)CCCn1cc[nH+]c1 ZINC000268643243 1434543739 /nfs/dbraw/zinc/54/37/39/1434543739.db2.gz HXIZARFNIXRTPB-UHFFFAOYSA-N 2 2 383.496 3.498 20 0 GGADLP CCOc1ccccc1C[N@H+](CCCc1nc(C)no1)CCCn1cc[nH+]c1 ZINC000268643243 1434543742 /nfs/dbraw/zinc/54/37/42/1434543742.db2.gz HXIZARFNIXRTPB-UHFFFAOYSA-N 2 2 383.496 3.498 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268748944 1434552845 /nfs/dbraw/zinc/55/28/45/1434552845.db2.gz GVQWQWDBYPQKPM-MRXNPFEDSA-N 2 2 384.505 3.154 20 0 GGADLP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]Cc1ccccc1Cn1cc[nH+]c1 ZINC000268793523 1434558039 /nfs/dbraw/zinc/55/80/39/1434558039.db2.gz YXUOQIQVBRBFRO-HNNXBMFYSA-N 2 2 383.883 3.487 20 0 GGADLP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)COC2 ZINC000268799875 1434558639 /nfs/dbraw/zinc/55/86/39/1434558639.db2.gz FUZKEMCWGZPMJI-GOSISDBHSA-N 2 2 382.504 3.279 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc2ccccc2n1 ZINC000268805727 1434559383 /nfs/dbraw/zinc/55/93/83/1434559383.db2.gz IVNYTUXBGJEWMP-GOSISDBHSA-N 2 2 388.515 3.473 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc2ccccc2n1 ZINC000268805730 1434559451 /nfs/dbraw/zinc/55/94/51/1434559451.db2.gz IVNYTUXBGJEWMP-SFHVURJKSA-N 2 2 388.515 3.473 20 0 GGADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268812755 1434560157 /nfs/dbraw/zinc/56/01/57/1434560157.db2.gz OWKOHWWCKUBRDR-UYAOXDASSA-N 2 2 381.520 3.442 20 0 GGADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268812755 1434560160 /nfs/dbraw/zinc/56/01/60/1434560160.db2.gz OWKOHWWCKUBRDR-UYAOXDASSA-N 2 2 381.520 3.442 20 0 GGADLP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]3CCCC3)s2)cc1 ZINC000268813817 1434560449 /nfs/dbraw/zinc/56/04/49/1434560449.db2.gz FPFGWHLAEQQBJW-YOEHRIQHSA-N 2 2 375.538 3.234 20 0 GGADLP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268838607 1434562974 /nfs/dbraw/zinc/56/29/74/1434562974.db2.gz SXPJQJQMWWWZHL-SFHVURJKSA-N 2 2 381.520 3.242 20 0 GGADLP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CCC2 ZINC000268859429 1434565243 /nfs/dbraw/zinc/56/52/43/1434565243.db2.gz YOEKESPKQCGZIS-GOSISDBHSA-N 2 2 398.576 3.260 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000268859376 1434565449 /nfs/dbraw/zinc/56/54/49/1434565449.db2.gz YIHXAJVLCSATDH-URXFXBBRSA-N 3 2 387.612 3.420 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000268859376 1434565451 /nfs/dbraw/zinc/56/54/51/1434565451.db2.gz YIHXAJVLCSATDH-URXFXBBRSA-N 3 2 387.612 3.420 20 0 GGADLP CC[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1OCC(=O)N(C)C ZINC000268882368 1434567604 /nfs/dbraw/zinc/56/76/04/1434567604.db2.gz XCDZHLJKGQTFCR-IBGZPJMESA-N 2 2 384.524 3.482 20 0 GGADLP CC[C@@H]([NH2+]CCCCNc1cccc[nH+]1)c1ccccc1OCC(=O)N(C)C ZINC000268883696 1434567733 /nfs/dbraw/zinc/56/77/33/1434567733.db2.gz XCDZHLJKGQTFCR-LJQANCHMSA-N 2 2 384.524 3.482 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268899303 1434569055 /nfs/dbraw/zinc/56/90/55/1434569055.db2.gz KSJMVZGNESFJRB-WMZOPIPTSA-N 2 2 384.549 3.117 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000268899303 1434569057 /nfs/dbraw/zinc/56/90/57/1434569057.db2.gz KSJMVZGNESFJRB-WMZOPIPTSA-N 2 2 384.549 3.117 20 0 GGADLP COc1cc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)ccc1SC(F)F ZINC000268903880 1434569333 /nfs/dbraw/zinc/56/93/33/1434569333.db2.gz LJYVGOCDBDNOFG-JSGCOSHPSA-N 2 2 387.496 3.000 20 0 GGADLP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)ccc1SC(F)F ZINC000268903880 1434569335 /nfs/dbraw/zinc/56/93/35/1434569335.db2.gz LJYVGOCDBDNOFG-JSGCOSHPSA-N 2 2 387.496 3.000 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1)[NH+]1CCOCC1 ZINC000268964099 1434576236 /nfs/dbraw/zinc/57/62/36/1434576236.db2.gz YIRNBNYLGCRVCP-SLYNCCJLSA-N 2 2 386.540 3.028 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1)[NH+]1CCOCC1 ZINC000268964099 1434576238 /nfs/dbraw/zinc/57/62/38/1434576238.db2.gz YIRNBNYLGCRVCP-SLYNCCJLSA-N 2 2 386.540 3.028 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000268976976 1434577857 /nfs/dbraw/zinc/57/78/57/1434577857.db2.gz JLAUNFMYLJETFE-AMHTUMDSSA-N 2 2 381.520 3.179 20 0 GGADLP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)c1 ZINC000268976976 1434577860 /nfs/dbraw/zinc/57/78/60/1434577860.db2.gz JLAUNFMYLJETFE-AMHTUMDSSA-N 2 2 381.520 3.179 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC[N@@H+]1C ZINC000269051100 1434585776 /nfs/dbraw/zinc/58/57/76/1434585776.db2.gz ZNMLPSOZWWHYMN-DNVCBOLYSA-N 2 2 391.512 3.199 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000269051100 1434585779 /nfs/dbraw/zinc/58/57/79/1434585779.db2.gz ZNMLPSOZWWHYMN-DNVCBOLYSA-N 2 2 391.512 3.199 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC[N@@H+]1C ZINC000269051120 1434585938 /nfs/dbraw/zinc/58/59/38/1434585938.db2.gz ZNMLPSOZWWHYMN-KXBFYZLASA-N 2 2 391.512 3.199 20 0 GGADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)CC[N@H+]1C ZINC000269051120 1434585939 /nfs/dbraw/zinc/58/59/39/1434585939.db2.gz ZNMLPSOZWWHYMN-KXBFYZLASA-N 2 2 391.512 3.199 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(-n4cccn4)cc3)[nH+]c2)CC1 ZINC000269155648 1434598646 /nfs/dbraw/zinc/59/86/46/1434598646.db2.gz RMMPFYZSJNJLKI-UHFFFAOYSA-N 2 2 376.508 3.410 20 0 GGADLP CCC[NH+]1CCN(c2ccc(NC(=O)c3csc(C[NH3+])n3)cc2Cl)CC1 ZINC000269282611 1434617659 /nfs/dbraw/zinc/61/76/59/1434617659.db2.gz GKYMQZBBVTWFBC-UHFFFAOYSA-N 2 2 393.944 3.040 20 0 GGADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000269288840 1434618372 /nfs/dbraw/zinc/61/83/72/1434618372.db2.gz UGMIEMQVUFGACN-CGXNFDGLSA-N 2 2 379.508 3.038 20 0 GGADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000269288840 1434618375 /nfs/dbraw/zinc/61/83/75/1434618375.db2.gz UGMIEMQVUFGACN-CGXNFDGLSA-N 2 2 379.508 3.038 20 0 GGADLP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000269288841 1434618502 /nfs/dbraw/zinc/61/85/02/1434618502.db2.gz UGMIEMQVUFGACN-MXEMCNAFSA-N 2 2 379.508 3.038 20 0 GGADLP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000269288841 1434618505 /nfs/dbraw/zinc/61/85/05/1434618505.db2.gz UGMIEMQVUFGACN-MXEMCNAFSA-N 2 2 379.508 3.038 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269443888 1434646557 /nfs/dbraw/zinc/64/65/57/1434646557.db2.gz JUYTUHDTZHUNQJ-UHFFFAOYSA-N 2 2 394.519 3.077 20 0 GGADLP CC[C@@H](CC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000269927046 1434687471 /nfs/dbraw/zinc/68/74/71/1434687471.db2.gz ZISYOSIIRSMGBA-SFHVURJKSA-N 2 2 375.557 3.063 20 0 GGADLP CC[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(OC)cc1 ZINC000269927046 1434687473 /nfs/dbraw/zinc/68/74/73/1434687473.db2.gz ZISYOSIIRSMGBA-SFHVURJKSA-N 2 2 375.557 3.063 20 0 GGADLP CC(=O)c1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000270061034 1434698075 /nfs/dbraw/zinc/69/80/75/1434698075.db2.gz QAOPQYYWDCTKJN-DHIUTWEWSA-N 2 2 399.579 3.227 20 0 GGADLP CC(=O)c1ccc(CC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000270061034 1434698080 /nfs/dbraw/zinc/69/80/80/1434698080.db2.gz QAOPQYYWDCTKJN-DHIUTWEWSA-N 2 2 399.579 3.227 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000270071030 1434699258 /nfs/dbraw/zinc/69/92/58/1434699258.db2.gz UGEXJQUHNIIAHE-WOJBJXKFSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000270071030 1434699260 /nfs/dbraw/zinc/69/92/60/1434699260.db2.gz UGEXJQUHNIIAHE-WOJBJXKFSA-N 2 2 391.531 3.244 20 0 GGADLP C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3ccccc3OCCn3cc[nH+]c3)C2)CC1 ZINC000270133308 1434706278 /nfs/dbraw/zinc/70/62/78/1434706278.db2.gz KFJYEVOIVRNPNH-LJQANCHMSA-N 2 2 397.523 3.158 20 0 GGADLP C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C[NH+]1CCCC1 ZINC000270220294 1434714448 /nfs/dbraw/zinc/71/44/48/1434714448.db2.gz HBRYQPBPCXQSDW-KRWDZBQOSA-N 2 2 379.508 3.455 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000270360434 1434726437 /nfs/dbraw/zinc/72/64/37/1434726437.db2.gz RIRUTUCFIZHPOP-VQTJNVASSA-N 2 2 377.492 3.350 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000270360434 1434726440 /nfs/dbraw/zinc/72/64/40/1434726440.db2.gz RIRUTUCFIZHPOP-VQTJNVASSA-N 2 2 377.492 3.350 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1CCC(F)(F)F ZINC000270473472 1434736611 /nfs/dbraw/zinc/73/66/11/1434736611.db2.gz ZVCCKVKYLUTZKW-UHFFFAOYSA-N 2 2 385.474 3.280 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccccc1CCC(F)(F)F ZINC000270473472 1434736615 /nfs/dbraw/zinc/73/66/15/1434736615.db2.gz ZVCCKVKYLUTZKW-UHFFFAOYSA-N 2 2 385.474 3.280 20 0 GGADLP COc1ccc2oc(C[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)cc2c1 ZINC000270651626 1434756244 /nfs/dbraw/zinc/75/62/44/1434756244.db2.gz QTMHFRZCDCRKHG-UHFFFAOYSA-N 2 2 393.487 3.119 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)CC1 ZINC000270822995 1434778600 /nfs/dbraw/zinc/77/86/00/1434778600.db2.gz BOLLQJQBQWKRND-UHFFFAOYSA-N 2 2 386.515 3.471 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3csc(-c4ccccn4)n3)CC2)CC1 ZINC000270863483 1434782531 /nfs/dbraw/zinc/78/25/31/1434782531.db2.gz ILMNYHXJPVKHSK-UHFFFAOYSA-N 2 2 385.581 3.196 20 0 GGADLP CC(C)c1cccc(NC(=O)C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000270886645 1434785365 /nfs/dbraw/zinc/78/53/65/1434785365.db2.gz KTFYQKLIGYCXCU-UHFFFAOYSA-N 2 2 386.584 3.239 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000270901314 1434786550 /nfs/dbraw/zinc/78/65/50/1434786550.db2.gz MMSWVNLVKUMVEK-QGZVFWFLSA-N 2 2 392.975 3.157 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000270901310 1434786653 /nfs/dbraw/zinc/78/66/53/1434786653.db2.gz MMSWVNLVKUMVEK-KRWDZBQOSA-N 2 2 392.975 3.157 20 0 GGADLP C[NH+](C)CCCC1CCN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC1 ZINC000270920446 1434787927 /nfs/dbraw/zinc/78/79/27/1434787927.db2.gz NTVWDPLKWRUWPC-UHFFFAOYSA-N 2 2 383.540 3.195 20 0 GGADLP CC(C)[NH+]1CCN(C2CC[NH+](CC(=O)Nc3ccc4ccccc4c3)CC2)CC1 ZINC000270933899 1434789171 /nfs/dbraw/zinc/78/91/71/1434789171.db2.gz QLLKNGJJUFCDHG-UHFFFAOYSA-N 2 2 394.563 3.269 20 0 GGADLP Cc1ccn2ncc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271018119 1434795836 /nfs/dbraw/zinc/79/58/36/1434795836.db2.gz IOMUZNQVGUAMBR-SFTDATJTSA-N 2 2 397.567 3.052 20 0 GGADLP Cc1ccn2ncc(C(=O)N(C)[C@H]3CCCC[C@@H]3[N@@H+](C)C3CC[NH+](C)CC3)c2c1 ZINC000271018119 1434795839 /nfs/dbraw/zinc/79/58/39/1434795839.db2.gz IOMUZNQVGUAMBR-SFTDATJTSA-N 2 2 397.567 3.052 20 0 GGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnn(CCOC)c1 ZINC000271051349 1434798726 /nfs/dbraw/zinc/79/87/26/1434798726.db2.gz VSLOUIQBWHDHCE-UHFFFAOYSA-N 2 2 397.523 3.217 20 0 GGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnn(CCOC)c1 ZINC000271051349 1434798727 /nfs/dbraw/zinc/79/87/27/1434798727.db2.gz VSLOUIQBWHDHCE-UHFFFAOYSA-N 2 2 397.523 3.217 20 0 GGADLP COc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1OC(F)F ZINC000271217998 1434808773 /nfs/dbraw/zinc/80/87/73/1434808773.db2.gz NZBKFNDQRUDPHU-UHFFFAOYSA-N 2 2 397.510 3.287 20 0 GGADLP Cc1ccsc1[C@@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000271530079 1434832306 /nfs/dbraw/zinc/83/23/06/1434832306.db2.gz WOQPXOYRSBNFAE-SJORKVTESA-N 2 2 387.553 3.003 20 0 GGADLP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000271693260 1434844715 /nfs/dbraw/zinc/84/47/15/1434844715.db2.gz FTHRIYFTDDQDRI-UHFFFAOYSA-N 2 2 390.487 3.140 20 0 GGADLP C[NH+](CCCn1cc[nH+]c1)Cc1ccccc1C[N@H+](C)CCCn1ccnc1 ZINC000271726380 1434846477 /nfs/dbraw/zinc/84/64/77/1434846477.db2.gz SNLOGZIZWCDQLB-UHFFFAOYSA-N 3 2 380.540 3.124 20 0 GGADLP C[NH+](CCCn1cc[nH+]c1)Cc1ccccc1C[N@@H+](C)CCCn1ccnc1 ZINC000271726380 1434846479 /nfs/dbraw/zinc/84/64/79/1434846479.db2.gz SNLOGZIZWCDQLB-UHFFFAOYSA-N 3 2 380.540 3.124 20 0 GGADLP C[NH+](CCCn1ccnc1)Cc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271726380 1434846480 /nfs/dbraw/zinc/84/64/80/1434846480.db2.gz SNLOGZIZWCDQLB-UHFFFAOYSA-N 3 2 380.540 3.124 20 0 GGADLP C[NH+](CCCn1ccnc1)Cc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271726380 1434846482 /nfs/dbraw/zinc/84/64/82/1434846482.db2.gz SNLOGZIZWCDQLB-UHFFFAOYSA-N 3 2 380.540 3.124 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000271751338 1434847864 /nfs/dbraw/zinc/84/78/64/1434847864.db2.gz YPWHSXSPDZQDDY-JOCHJYFZSA-N 2 2 379.504 3.372 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)COC(c1ccccc1)c1ccccc1 ZINC000271751338 1434847866 /nfs/dbraw/zinc/84/78/66/1434847866.db2.gz YPWHSXSPDZQDDY-JOCHJYFZSA-N 2 2 379.504 3.372 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000271772569 1434849512 /nfs/dbraw/zinc/84/95/12/1434849512.db2.gz FLKSJUBSJSFMKN-MRXNPFEDSA-N 2 2 378.513 3.080 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000271793298 1434850999 /nfs/dbraw/zinc/85/09/99/1434850999.db2.gz JMZXWGJZJYAHFT-UYAOXDASSA-N 2 2 380.916 3.177 20 0 GGADLP CC[NH+](CC)Cc1cccc(C[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)c1 ZINC000271854172 1434855078 /nfs/dbraw/zinc/85/50/78/1434855078.db2.gz WVKIDGRSZHOJQJ-UHFFFAOYSA-N 3 2 375.557 3.036 20 0 GGADLP C[C@@H](Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000272152800 1434875145 /nfs/dbraw/zinc/87/51/45/1434875145.db2.gz AQIAOYIPLZEPAP-XMSQKQJNSA-N 2 2 395.551 3.232 20 0 GGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCOCC2)c1 ZINC000272152797 1434875171 /nfs/dbraw/zinc/87/51/71/1434875171.db2.gz AQIAOYIPLZEPAP-AVRDEDQJSA-N 2 2 395.551 3.232 20 0 GGADLP CCc1ccc([C@@H]([NH2+]CCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272230399 1434879886 /nfs/dbraw/zinc/87/98/86/1434879886.db2.gz DPDSJISJCYFRGO-OAQYLSRUSA-N 2 2 383.517 3.228 20 0 GGADLP C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272335216 1434887950 /nfs/dbraw/zinc/88/79/50/1434887950.db2.gz NMHSMOGDCDTCAW-YLJYHZDGSA-N 2 2 377.492 3.044 20 0 GGADLP C[C@@H](NC(=O)NCc1ccn2cc[nH+]c2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272335216 1434887951 /nfs/dbraw/zinc/88/79/51/1434887951.db2.gz NMHSMOGDCDTCAW-YLJYHZDGSA-N 2 2 377.492 3.044 20 0 GGADLP COc1cc(OC)cc(OCCC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)c1 ZINC000272532858 1434904936 /nfs/dbraw/zinc/90/49/36/1434904936.db2.gz JKHFAEHNELFTCR-UHFFFAOYSA-N 2 2 390.446 3.479 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NC3CC[NH+](CCC(F)(F)F)CC3)[nH+]c2)CC1 ZINC000272611336 1434915053 /nfs/dbraw/zinc/91/50/53/1434915053.db2.gz WDCATWTVYJZRTJ-UHFFFAOYSA-N 3 2 399.505 3.441 20 0 GGADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1=CC[N@H+](C)CC1 ZINC000272741569 1434927334 /nfs/dbraw/zinc/92/73/34/1434927334.db2.gz CTPGZZBMQSIXKM-ORYQWCPZSA-N 2 2 379.508 3.061 20 0 GGADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C1=CC[N@@H+](C)CC1 ZINC000272741569 1434927337 /nfs/dbraw/zinc/92/73/37/1434927337.db2.gz CTPGZZBMQSIXKM-ORYQWCPZSA-N 2 2 379.508 3.061 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000272744588 1434927701 /nfs/dbraw/zinc/92/77/01/1434927701.db2.gz LUKAIKNSMVANLG-HYVJGQCMSA-N 2 2 381.520 3.179 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000272744588 1434927703 /nfs/dbraw/zinc/92/77/03/1434927703.db2.gz LUKAIKNSMVANLG-HYVJGQCMSA-N 2 2 381.520 3.179 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272819183 1434933669 /nfs/dbraw/zinc/93/36/69/1434933669.db2.gz OLVRYEVJKHJRIW-RXVVDRJESA-N 2 2 386.561 3.231 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272819183 1434933671 /nfs/dbraw/zinc/93/36/71/1434933671.db2.gz OLVRYEVJKHJRIW-RXVVDRJESA-N 2 2 386.561 3.231 20 0 GGADLP C[C@H](NC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C1=CC[NH+](C)CC1 ZINC000273007531 1434949260 /nfs/dbraw/zinc/94/92/60/1434949260.db2.gz UOPAUOYSDSFNKZ-CABCVRRESA-N 2 2 377.558 3.147 20 0 GGADLP C[C@H](NC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C1=CC[NH+](C)CC1 ZINC000273007531 1434949265 /nfs/dbraw/zinc/94/92/65/1434949265.db2.gz UOPAUOYSDSFNKZ-CABCVRRESA-N 2 2 377.558 3.147 20 0 GGADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)C1=CC[N@H+](C)CC1 ZINC000273007531 1434949268 /nfs/dbraw/zinc/94/92/68/1434949268.db2.gz UOPAUOYSDSFNKZ-CABCVRRESA-N 2 2 377.558 3.147 20 0 GGADLP C[C@H](NC(=O)Nc1nc(C[NH+]2CCC[C@@H](C)C2)cs1)C1=CC[N@@H+](C)CC1 ZINC000273007531 1434949270 /nfs/dbraw/zinc/94/92/70/1434949270.db2.gz UOPAUOYSDSFNKZ-CABCVRRESA-N 2 2 377.558 3.147 20 0 GGADLP C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000273267298 1434976658 /nfs/dbraw/zinc/97/66/58/1434976658.db2.gz NZHSDLDCBCGOIX-UWJYYQICSA-N 2 2 375.476 3.109 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273376458 1434984366 /nfs/dbraw/zinc/98/43/66/1434984366.db2.gz BJTDTXOAGITUKL-SVFBPWRDSA-N 2 2 386.561 3.349 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273376458 1434984367 /nfs/dbraw/zinc/98/43/67/1434984367.db2.gz BJTDTXOAGITUKL-SVFBPWRDSA-N 2 2 386.561 3.349 20 0 GGADLP Cc1ccc(NC2CCN(c3cccc[nH+]3)CC2)cc1NC(=O)CC[NH+](C)C ZINC000274405932 1435068484 /nfs/dbraw/zinc/06/84/84/1435068484.db2.gz QXMJXBDVEFOQJH-UHFFFAOYSA-N 2 2 381.524 3.361 20 0 GGADLP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000274497529 1435074916 /nfs/dbraw/zinc/07/49/16/1435074916.db2.gz QVLACZARCXDSME-UHFFFAOYSA-N 2 2 396.491 3.112 20 0 GGADLP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000274497529 1435074918 /nfs/dbraw/zinc/07/49/18/1435074918.db2.gz QVLACZARCXDSME-UHFFFAOYSA-N 2 2 396.491 3.112 20 0 GGADLP Cc1c(-c2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)on2)cnn1C ZINC000274788715 1435092508 /nfs/dbraw/zinc/09/25/08/1435092508.db2.gz BLKSSCXTCJFALL-IERDGZPVSA-N 2 2 379.508 3.384 20 0 GGADLP Cc1c(-c2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)on2)cnn1C ZINC000274788715 1435092510 /nfs/dbraw/zinc/09/25/10/1435092510.db2.gz BLKSSCXTCJFALL-IERDGZPVSA-N 2 2 379.508 3.384 20 0 GGADLP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274812875 1435094787 /nfs/dbraw/zinc/09/47/87/1435094787.db2.gz IDGUHEUUYBNBQR-CMKODMSKSA-N 2 2 383.540 3.291 20 0 GGADLP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274812875 1435094788 /nfs/dbraw/zinc/09/47/88/1435094788.db2.gz IDGUHEUUYBNBQR-CMKODMSKSA-N 2 2 383.540 3.291 20 0 GGADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000274817488 1435095313 /nfs/dbraw/zinc/09/53/13/1435095313.db2.gz JEDSQMSBTBVDRK-VGSWGCGISA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1ccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000274817488 1435095314 /nfs/dbraw/zinc/09/53/14/1435095314.db2.gz JEDSQMSBTBVDRK-VGSWGCGISA-N 2 2 379.504 3.328 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000274836412 1435096787 /nfs/dbraw/zinc/09/67/87/1435096787.db2.gz KZIRIMCCWFODKH-TZIWHRDSSA-N 2 2 375.557 3.155 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)N(c2ccccc2)C(C)C)[C@H](C)C1 ZINC000274836412 1435096788 /nfs/dbraw/zinc/09/67/88/1435096788.db2.gz KZIRIMCCWFODKH-TZIWHRDSSA-N 2 2 375.557 3.155 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000274855503 1435098024 /nfs/dbraw/zinc/09/80/24/1435098024.db2.gz SAMQMQSWEYINEV-FXAWDEMLSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000274855503 1435098026 /nfs/dbraw/zinc/09/80/26/1435098026.db2.gz SAMQMQSWEYINEV-FXAWDEMLSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000274855509 1435098037 /nfs/dbraw/zinc/09/80/37/1435098037.db2.gz SAMQMQSWEYINEV-YLJYHZDGSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000274855509 1435098039 /nfs/dbraw/zinc/09/80/39/1435098039.db2.gz SAMQMQSWEYINEV-YLJYHZDGSA-N 2 2 397.519 3.143 20 0 GGADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274868720 1435099209 /nfs/dbraw/zinc/09/92/09/1435099209.db2.gz WMCCBKUNTQINAX-VGSWGCGISA-N 2 2 379.504 3.328 20 0 GGADLP CC(=O)c1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274868720 1435099212 /nfs/dbraw/zinc/09/92/12/1435099212.db2.gz WMCCBKUNTQINAX-VGSWGCGISA-N 2 2 379.504 3.328 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000274873471 1435099915 /nfs/dbraw/zinc/09/99/15/1435099915.db2.gz XWFMXFDQWFCCEV-JXFKEZNVSA-N 2 2 396.922 3.348 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000274873471 1435099917 /nfs/dbraw/zinc/09/99/17/1435099917.db2.gz XWFMXFDQWFCCEV-JXFKEZNVSA-N 2 2 396.922 3.348 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000274873482 1435099972 /nfs/dbraw/zinc/09/99/72/1435099972.db2.gz XWFMXFDQWFCCEV-OXQOHEQNSA-N 2 2 396.922 3.348 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000274873482 1435099975 /nfs/dbraw/zinc/09/99/75/1435099975.db2.gz XWFMXFDQWFCCEV-OXQOHEQNSA-N 2 2 396.922 3.348 20 0 GGADLP CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000274877753 1435100427 /nfs/dbraw/zinc/10/04/27/1435100427.db2.gz YUEGSUJKXRIIHS-VGOFRKELSA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000274877753 1435100429 /nfs/dbraw/zinc/10/04/29/1435100429.db2.gz YUEGSUJKXRIIHS-VGOFRKELSA-N 2 2 394.519 3.084 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cc(F)cc(Cl)c3)cc2)CC1 ZINC000275002032 1435108902 /nfs/dbraw/zinc/10/89/02/1435108902.db2.gz NXBDMMWSLXFYPS-UHFFFAOYSA-N 2 2 375.875 3.157 20 0 GGADLP COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275575619 1435149769 /nfs/dbraw/zinc/14/97/69/1435149769.db2.gz CWKCATWHZICKNV-UHFFFAOYSA-N 2 2 396.535 3.149 20 0 GGADLP C[NH+](C)CCc1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000276146508 1435193919 /nfs/dbraw/zinc/19/39/19/1435193919.db2.gz PFZWMZJVZHERPQ-UHFFFAOYSA-N 2 2 395.551 3.175 20 0 GGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC(F)(F)F ZINC000276179891 1435195983 /nfs/dbraw/zinc/19/59/83/1435195983.db2.gz GPVBKUVBOOLKNF-KRWDZBQOSA-N 2 2 385.430 3.487 20 0 GGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C[C@@H](O)CC(F)(F)F ZINC000276179891 1435195984 /nfs/dbraw/zinc/19/59/84/1435195984.db2.gz GPVBKUVBOOLKNF-KRWDZBQOSA-N 2 2 385.430 3.487 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cnn1C(C)(C)C ZINC000276310310 1435204041 /nfs/dbraw/zinc/20/40/41/1435204041.db2.gz FEBTYKNPBZBMJQ-XJABCFGWSA-N 2 2 384.568 3.480 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)cnn1C(C)(C)C ZINC000276310310 1435204042 /nfs/dbraw/zinc/20/40/42/1435204042.db2.gz FEBTYKNPBZBMJQ-XJABCFGWSA-N 2 2 384.568 3.480 20 0 GGADLP Cc1c([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cnn1C(C)(C)C ZINC000276451051 1435212185 /nfs/dbraw/zinc/21/21/85/1435212185.db2.gz ZQZOVGQYSXREAH-KRWDZBQOSA-N 2 2 397.567 3.185 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000276535212 1435216271 /nfs/dbraw/zinc/21/62/71/1435216271.db2.gz DBULAXOGWARZBU-HDICACEKSA-N 2 2 393.531 3.236 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000276535212 1435216274 /nfs/dbraw/zinc/21/62/74/1435216274.db2.gz DBULAXOGWARZBU-HDICACEKSA-N 2 2 393.531 3.236 20 0 GGADLP C[C@H](c1cccc(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1)[NH+]1CCOCC1 ZINC000276593054 1435219404 /nfs/dbraw/zinc/21/94/04/1435219404.db2.gz JNMAISPOZFQGNW-QGZVFWFLSA-N 2 2 379.504 3.020 20 0 GGADLP COc1cccc(-c2noc([C@H](C)[NH2+]C3CCN(c4cccc[nH+]4)CC3)n2)c1 ZINC000276755910 1435230214 /nfs/dbraw/zinc/23/02/14/1435230214.db2.gz LWPIFRBLXSQMKN-HNNXBMFYSA-N 2 2 379.464 3.460 20 0 GGADLP CCn1nccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000276912716 1435242449 /nfs/dbraw/zinc/24/24/49/1435242449.db2.gz PGFLSOLBSFMDHO-GIVPXCGWSA-N 2 2 395.551 3.041 20 0 GGADLP CCn1nccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000276912716 1435242451 /nfs/dbraw/zinc/24/24/51/1435242451.db2.gz PGFLSOLBSFMDHO-GIVPXCGWSA-N 2 2 395.551 3.041 20 0 GGADLP CCn1nccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000276912718 1435242487 /nfs/dbraw/zinc/24/24/87/1435242487.db2.gz PGFLSOLBSFMDHO-JBACZVJFSA-N 2 2 395.551 3.041 20 0 GGADLP CCn1nccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1=O ZINC000276912718 1435242489 /nfs/dbraw/zinc/24/24/89/1435242489.db2.gz PGFLSOLBSFMDHO-JBACZVJFSA-N 2 2 395.551 3.041 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000276968868 1435248145 /nfs/dbraw/zinc/24/81/45/1435248145.db2.gz FNUCTMIQDIMBEO-LJQANCHMSA-N 2 2 389.519 3.309 20 0 GGADLP CCOCC[C@H](O)C[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000277744541 1435326401 /nfs/dbraw/zinc/32/64/01/1435326401.db2.gz PDORBTPWNOLPRL-IBGZPJMESA-N 2 2 388.474 3.389 20 0 GGADLP CCOCC[C@H](O)C[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000277744541 1435326402 /nfs/dbraw/zinc/32/64/02/1435326402.db2.gz PDORBTPWNOLPRL-IBGZPJMESA-N 2 2 388.474 3.389 20 0 GGADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CCCO1 ZINC000278027319 1435351595 /nfs/dbraw/zinc/35/15/95/1435351595.db2.gz WSHNCUVNGHLTMI-AWEZNQCLSA-N 2 2 384.446 3.183 20 0 GGADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2nc3cc(C(F)(F)F)ccc3n2C)CCCO1 ZINC000278027319 1435351599 /nfs/dbraw/zinc/35/15/99/1435351599.db2.gz WSHNCUVNGHLTMI-AWEZNQCLSA-N 2 2 384.446 3.183 20 0 GGADLP C[C@H](c1ccsc1)[NH+]1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000278094498 1435358643 /nfs/dbraw/zinc/35/86/43/1435358643.db2.gz ISQGBIONSUKTHV-MRXNPFEDSA-N 2 2 376.570 3.011 20 0 GGADLP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3cc(C(=O)OC)co3)cc2)CC1 ZINC000278350981 1435382729 /nfs/dbraw/zinc/38/27/29/1435382729.db2.gz ZAINCGSKAYQLBW-KRWDZBQOSA-N 2 2 385.508 3.055 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000278581001 1435402218 /nfs/dbraw/zinc/40/22/18/1435402218.db2.gz YEOMTQHXYPTSFV-NVXWUHKLSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000278581001 1435402219 /nfs/dbraw/zinc/40/22/19/1435402219.db2.gz YEOMTQHXYPTSFV-NVXWUHKLSA-N 2 2 375.513 3.027 20 0 GGADLP COC(=O)c1coc([C@H](C)[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000278652253 1435410538 /nfs/dbraw/zinc/41/05/38/1435410538.db2.gz IDRGKAJBFZKPIS-CABCVRRESA-N 2 2 389.471 3.369 20 0 GGADLP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000278760222 1435420955 /nfs/dbraw/zinc/42/09/55/1435420955.db2.gz SYDXSHNVYXLLML-VXKWHMMOSA-N 2 2 393.535 3.285 20 0 GGADLP C[C@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1c[nH]c2ccccc21 ZINC000278832667 1435428314 /nfs/dbraw/zinc/42/83/14/1435428314.db2.gz YXKMAYNNXDCZOT-QGZVFWFLSA-N 2 2 382.552 3.336 20 0 GGADLP CCOc1ccccc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278854432 1435431422 /nfs/dbraw/zinc/43/14/22/1435431422.db2.gz KMMVPEORYRZQQV-UHFFFAOYSA-N 2 2 382.508 3.436 20 0 GGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@H](c2cccnc2)C2CCC2)c1 ZINC000280851059 1435730578 /nfs/dbraw/zinc/73/05/78/1435730578.db2.gz MPWDCULGHXCNJT-QHCPKHFHSA-N 2 2 381.520 3.424 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000281024842 1435758347 /nfs/dbraw/zinc/75/83/47/1435758347.db2.gz OQBXFNFFLNGEFJ-IRXDYDNUSA-N 2 2 388.556 3.452 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000281024837 1435758868 /nfs/dbraw/zinc/75/88/68/1435758868.db2.gz OQBXFNFFLNGEFJ-IAGOWNOFSA-N 2 2 388.556 3.452 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000281154636 1435785668 /nfs/dbraw/zinc/78/56/68/1435785668.db2.gz KFFLKDWCUTUNJM-LIRRHRJNSA-N 2 2 388.462 3.098 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000281154636 1435785669 /nfs/dbraw/zinc/78/56/69/1435785669.db2.gz KFFLKDWCUTUNJM-LIRRHRJNSA-N 2 2 388.462 3.098 20 0 GGADLP Cn1cc(-c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)s2)cn1 ZINC000282272598 1435841132 /nfs/dbraw/zinc/84/11/32/1435841132.db2.gz OWOLRSNQVTZERR-FPOVZHCZSA-N 2 2 396.560 3.121 20 0 GGADLP Cn1cc(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3CO)s2)cn1 ZINC000282272598 1435841134 /nfs/dbraw/zinc/84/11/34/1435841134.db2.gz OWOLRSNQVTZERR-FPOVZHCZSA-N 2 2 396.560 3.121 20 0 GGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000282622057 1435853990 /nfs/dbraw/zinc/85/39/90/1435853990.db2.gz ZZBHOZAVJLDFQX-DLBZAZTESA-N 2 2 383.458 3.040 20 0 GGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000282622057 1435853992 /nfs/dbraw/zinc/85/39/92/1435853992.db2.gz ZZBHOZAVJLDFQX-DLBZAZTESA-N 2 2 383.458 3.040 20 0 GGADLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000282622070 1435854034 /nfs/dbraw/zinc/85/40/34/1435854034.db2.gz ZZBHOZAVJLDFQX-IRXDYDNUSA-N 2 2 383.458 3.040 20 0 GGADLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(CC(F)(F)F)C1=O ZINC000282622070 1435854035 /nfs/dbraw/zinc/85/40/35/1435854035.db2.gz ZZBHOZAVJLDFQX-IRXDYDNUSA-N 2 2 383.458 3.040 20 0 GGADLP Cc1nn(-c2ccccn2)c(C)c1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000282687741 1435856406 /nfs/dbraw/zinc/85/64/06/1435856406.db2.gz OZEAKNIXMAKTKZ-LJQANCHMSA-N 2 2 391.523 3.032 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217634 1435879783 /nfs/dbraw/zinc/87/97/83/1435879783.db2.gz SCUXVVQQOAKYOU-IEBWSBKVSA-N 2 2 398.576 3.307 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1)c1ccccc1 ZINC000283217634 1435879785 /nfs/dbraw/zinc/87/97/85/1435879785.db2.gz SCUXVVQQOAKYOU-IEBWSBKVSA-N 2 2 398.576 3.307 20 0 GGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc(OC)nn2)cc1 ZINC000283317664 1435884117 /nfs/dbraw/zinc/88/41/17/1435884117.db2.gz ZLJACQBYLFIBBW-UHFFFAOYSA-N 2 2 381.480 3.173 20 0 GGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc(OC)nn2)cc1 ZINC000283317664 1435884119 /nfs/dbraw/zinc/88/41/19/1435884119.db2.gz ZLJACQBYLFIBBW-UHFFFAOYSA-N 2 2 381.480 3.173 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000283346518 1435885452 /nfs/dbraw/zinc/88/54/52/1435885452.db2.gz PJRBBTOSJBDMFQ-UHFFFAOYSA-N 2 2 384.549 3.099 20 0 GGADLP CC(C)n1cnnc1[C@H]1CCC[N@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284032719 1435976680 /nfs/dbraw/zinc/97/66/80/1435976680.db2.gz ILOIHEDJYZQISO-VXKWHMMOSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@H]1CCC[N@@H+](C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000284032719 1435976693 /nfs/dbraw/zinc/97/66/93/1435976693.db2.gz ILOIHEDJYZQISO-VXKWHMMOSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@H]1CCC[NH+](C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000284032719 1435976705 /nfs/dbraw/zinc/97/67/05/1435976705.db2.gz ILOIHEDJYZQISO-VXKWHMMOSA-N 2 2 397.567 3.330 20 0 GGADLP CC(C)n1cnnc1[C@H]1CCC[NH+](C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000284032719 1435976713 /nfs/dbraw/zinc/97/67/13/1435976713.db2.gz ILOIHEDJYZQISO-VXKWHMMOSA-N 2 2 397.567 3.330 20 0 GGADLP Fc1ccc(OC2CC[NH+](C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)CC2)cn1 ZINC000284280379 1436009584 /nfs/dbraw/zinc/00/95/84/1436009584.db2.gz XXYILPDKYZUJKA-QFIPXVFZSA-N 2 2 399.510 3.355 20 0 GGADLP Fc1ccc(OC2CC[NH+](C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)CC2)cn1 ZINC000284280379 1436009588 /nfs/dbraw/zinc/00/95/88/1436009588.db2.gz XXYILPDKYZUJKA-QFIPXVFZSA-N 2 2 399.510 3.355 20 0 GGADLP CCN1CCO[C@@H](C[NH2+]C2CCN(c3cccc[nH+]3)CC2)[C@@H]1c1ccccc1 ZINC000284722308 1436043302 /nfs/dbraw/zinc/04/33/02/1436043302.db2.gz WAZLLNRFHQICPY-GMAHTHKFSA-N 2 2 380.536 3.102 20 0 GGADLP c1ccc(C[N@@H+]2C[C@@H]3CCCN(c4cccc(N5CCOCC5)[nH+]4)[C@@H]3C2)cc1 ZINC001164624221 719089787 /nfs/dbraw/zinc/08/97/87/719089787.db2.gz DONNKWDZEJIJQW-LEWJYISDSA-N 2 2 378.520 3.019 20 0 GGADLP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4cccc(N5CCOCC5)[nH+]4)[C@@H]3C2)cc1 ZINC001164624221 719089798 /nfs/dbraw/zinc/08/97/98/719089798.db2.gz DONNKWDZEJIJQW-LEWJYISDSA-N 2 2 378.520 3.019 20 0 GGADLP c1ccc(C[N@@H+]2C[C@H]3CCCN(c4cccc(N5CCOCC5)[nH+]4)[C@H]3C2)cc1 ZINC001164624223 719090411 /nfs/dbraw/zinc/09/04/11/719090411.db2.gz DONNKWDZEJIJQW-RTWAWAEBSA-N 2 2 378.520 3.019 20 0 GGADLP c1ccc(C[N@H+]2C[C@H]3CCCN(c4cccc(N5CCOCC5)[nH+]4)[C@H]3C2)cc1 ZINC001164624223 719090416 /nfs/dbraw/zinc/09/04/16/719090416.db2.gz DONNKWDZEJIJQW-RTWAWAEBSA-N 2 2 378.520 3.019 20 0 GGADLP CN(C)c1cc[nH+]c(N2CCC3(CC2)COCC[N@@H+]3Cc2ccc(F)cc2)c1 ZINC001164673894 719506864 /nfs/dbraw/zinc/50/68/64/719506864.db2.gz UKIHDJXGLGMAQI-UHFFFAOYSA-N 2 2 384.499 3.158 20 0 GGADLP CN(C)c1cc[nH+]c(N2CCC3(CC2)COCC[N@H+]3Cc2ccc(F)cc2)c1 ZINC001164673894 719506872 /nfs/dbraw/zinc/50/68/72/719506872.db2.gz UKIHDJXGLGMAQI-UHFFFAOYSA-N 2 2 384.499 3.158 20 0 GGADLP c1csc(C[N@@H+]2CCOC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)C2)c1 ZINC001164702236 719886145 /nfs/dbraw/zinc/88/61/45/719886145.db2.gz PJMSIGKZHFQMJR-UHFFFAOYSA-N 2 2 399.564 3.010 20 0 GGADLP c1csc(C[N@H+]2CCOC3(CCN(c4nc(N5CCCC5)cc[nH+]4)CC3)C2)c1 ZINC001164702236 719886146 /nfs/dbraw/zinc/88/61/46/719886146.db2.gz PJMSIGKZHFQMJR-UHFFFAOYSA-N 2 2 399.564 3.010 20 0 GGADLP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]ccc(F)c1C)CC2 ZINC001164717472 720123718 /nfs/dbraw/zinc/12/37/18/720123718.db2.gz PGBYOGWGMIOEQZ-LJQANCHMSA-N 2 2 384.499 3.432 20 0 GGADLP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]ccc(F)c1C)CC2 ZINC001164717472 720123725 /nfs/dbraw/zinc/12/37/25/720123725.db2.gz PGBYOGWGMIOEQZ-LJQANCHMSA-N 2 2 384.499 3.432 20 0 GGADLP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1[nH+]cc(C)cc1OC)CC2 ZINC001164712256 720133412 /nfs/dbraw/zinc/13/34/12/720133412.db2.gz LYKUGYPSGLWYFO-FQEVSTJZSA-N 2 2 396.535 3.301 20 0 GGADLP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cc(C)cc1OC)CC2 ZINC001164712256 720133417 /nfs/dbraw/zinc/13/34/17/720133417.db2.gz LYKUGYPSGLWYFO-FQEVSTJZSA-N 2 2 396.535 3.301 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc3ccccc3c[nH+]2)CC1 ZINC001164826654 720302555 /nfs/dbraw/zinc/30/25/55/720302555.db2.gz WCKACLZOONJPGA-NHCUHLMSSA-N 2 2 378.520 3.146 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc3ccccc3c[nH+]2)CC1 ZINC001164826659 720302638 /nfs/dbraw/zinc/30/26/38/720302638.db2.gz WCKACLZOONJPGA-SFTDATJTSA-N 2 2 378.520 3.146 20 0 GGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC(C)C ZINC001164837870 720504819 /nfs/dbraw/zinc/50/48/19/720504819.db2.gz QCHJSRSDRJRBKW-XUVXKRRUSA-N 2 2 397.571 3.180 20 0 GGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC(C)C ZINC001164837870 720504830 /nfs/dbraw/zinc/50/48/30/720504830.db2.gz QCHJSRSDRJRBKW-XUVXKRRUSA-N 2 2 397.571 3.180 20 0 GGADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc(C(C)C)[nH+]1 ZINC001164833354 720512366 /nfs/dbraw/zinc/51/23/66/720512366.db2.gz DHJXYCJOTLTWFU-IRFCIJBXSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc(C(C)C)[nH+]1 ZINC001164833354 720512375 /nfs/dbraw/zinc/51/23/75/720512375.db2.gz DHJXYCJOTLTWFU-IRFCIJBXSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@H+]4C(C)C)C3)c2c1C ZINC001164839139 720550097 /nfs/dbraw/zinc/55/00/97/720550097.db2.gz POTNQUQHRHZTEJ-GUDVDZBRSA-N 2 2 393.539 3.149 20 0 GGADLP Cc1[nH]c2nc[nH+]c(N3CC[C@@H]4[C@H](C[C@H](Cn5cccn5)[N@@H+]4C(C)C)C3)c2c1C ZINC001164839139 720550102 /nfs/dbraw/zinc/55/01/02/720550102.db2.gz POTNQUQHRHZTEJ-GUDVDZBRSA-N 2 2 393.539 3.149 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C2CC2)[nH+]1 ZINC001164841306 720619977 /nfs/dbraw/zinc/61/99/77/720619977.db2.gz RVEDVPSDTVNPEA-HSALFYBXSA-N 2 2 380.540 3.237 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C2CC2)[nH+]1 ZINC001164841306 720619979 /nfs/dbraw/zinc/61/99/79/720619979.db2.gz RVEDVPSDTVNPEA-HSALFYBXSA-N 2 2 380.540 3.237 20 0 GGADLP c1ncn(C[C@H]2C[C@@H]3CN(c4[nH+]ccc5ccccc54)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164748912 720814477 /nfs/dbraw/zinc/81/44/77/720814477.db2.gz RVCJPFUFOWYBKT-KCZVDYSFSA-N 2 2 388.519 3.206 20 0 GGADLP c1ncn(C[C@H]2C[C@@H]3CN(c4[nH+]ccc5ccccc54)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748912 720814479 /nfs/dbraw/zinc/81/44/79/720814479.db2.gz RVCJPFUFOWYBKT-KCZVDYSFSA-N 2 2 388.519 3.206 20 0 GGADLP CC(C)(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH+]c1 ZINC001164749798 720860290 /nfs/dbraw/zinc/86/02/90/720860290.db2.gz OGJSNOJHLXRUFL-SESVDKBCSA-N 2 2 394.567 3.350 20 0 GGADLP CC(C)(C)c1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]c1 ZINC001164749798 720860294 /nfs/dbraw/zinc/86/02/94/720860294.db2.gz OGJSNOJHLXRUFL-SESVDKBCSA-N 2 2 394.567 3.350 20 0 GGADLP Cc1c[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)nc1N1CCCC1 ZINC001164861776 720915821 /nfs/dbraw/zinc/91/58/21/720915821.db2.gz UMOUODXSAWXMKN-QGZVFWFLSA-N 2 2 383.544 3.003 20 0 GGADLP Cc1c[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1N1CCCC1 ZINC001164861776 720915828 /nfs/dbraw/zinc/91/58/28/720915828.db2.gz UMOUODXSAWXMKN-QGZVFWFLSA-N 2 2 383.544 3.003 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCCC3)cc[nH+]1)[C@@H]2C ZINC001164858141 720977342 /nfs/dbraw/zinc/97/73/42/720977342.db2.gz HWBCSXCGKPQIHE-QGZVFWFLSA-N 2 2 383.544 3.085 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nc(N3CCCCC3)cc[nH+]1)[C@@H]2C ZINC001164858141 720977353 /nfs/dbraw/zinc/97/73/53/720977353.db2.gz HWBCSXCGKPQIHE-QGZVFWFLSA-N 2 2 383.544 3.085 20 0 GGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858885 720987064 /nfs/dbraw/zinc/98/70/64/720987064.db2.gz IWALLCMMWVHDND-OZSKJFCKSA-N 2 2 397.523 3.194 20 0 GGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858885 720987091 /nfs/dbraw/zinc/98/70/91/720987091.db2.gz IWALLCMMWVHDND-OZSKJFCKSA-N 2 2 397.523 3.194 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCCCC3)[nH+]cn1)[C@H]2C ZINC001164859704 721001256 /nfs/dbraw/zinc/00/12/56/721001256.db2.gz LPHBWTHRGMCTAX-KRWDZBQOSA-N 2 2 383.544 3.085 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCCCC3)[nH+]cn1)[C@H]2C ZINC001164859704 721001261 /nfs/dbraw/zinc/00/12/61/721001261.db2.gz LPHBWTHRGMCTAX-KRWDZBQOSA-N 2 2 383.544 3.085 20 0 GGADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)[C@H]2C ZINC001164859470 721011690 /nfs/dbraw/zinc/01/16/90/721011690.db2.gz IJYYISSNNYTSJP-MSOLQXFVSA-N 2 2 397.571 3.331 20 0 GGADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)[C@H]2C ZINC001164859470 721011697 /nfs/dbraw/zinc/01/16/97/721011697.db2.gz IJYYISSNNYTSJP-MSOLQXFVSA-N 2 2 397.571 3.331 20 0 GGADLP CCc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(C)[nH+]1 ZINC001164780863 721358980 /nfs/dbraw/zinc/35/89/80/721358980.db2.gz IHUSXHRWCNBYIB-QFIPXVFZSA-N 2 2 399.539 3.071 20 0 GGADLP CCc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(C)[nH+]1 ZINC001164780863 721358981 /nfs/dbraw/zinc/35/89/81/721358981.db2.gz IHUSXHRWCNBYIB-QFIPXVFZSA-N 2 2 399.539 3.071 20 0 GGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001164780058 721369945 /nfs/dbraw/zinc/36/99/45/721369945.db2.gz CUJJQRXWQOFPLM-QFIPXVFZSA-N 2 2 399.539 3.126 20 0 GGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001164780058 721369949 /nfs/dbraw/zinc/36/99/49/721369949.db2.gz CUJJQRXWQOFPLM-QFIPXVFZSA-N 2 2 399.539 3.126 20 0 GGADLP CC(C)Oc1cc[nH+]c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164801822 721559726 /nfs/dbraw/zinc/55/97/26/721559726.db2.gz HHVZDVFLUBDRJB-RZUBCFFCSA-N 2 2 382.508 3.132 20 0 GGADLP CC(C)Oc1cc[nH+]c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1 ZINC001164801822 721559727 /nfs/dbraw/zinc/55/97/27/721559727.db2.gz HHVZDVFLUBDRJB-RZUBCFFCSA-N 2 2 382.508 3.132 20 0 GGADLP CCCc1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(C)[nH+]1 ZINC001164810451 721566209 /nfs/dbraw/zinc/56/62/09/721566209.db2.gz YJHVNJCNRRJSAQ-ONTIZHBOSA-N 2 2 381.524 3.001 20 0 GGADLP CCCc1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)nc(C)[nH+]1 ZINC001164810451 721566212 /nfs/dbraw/zinc/56/62/12/721566212.db2.gz YJHVNJCNRRJSAQ-ONTIZHBOSA-N 2 2 381.524 3.001 20 0 GGADLP Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c2c([nH+]1)CCC2 ZINC001164908338 721719596 /nfs/dbraw/zinc/71/95/96/721719596.db2.gz WZPKRBDJHKZYKE-NRFANRHFSA-N 2 2 399.489 3.406 20 0 GGADLP Cc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c2c([nH+]1)CCC2 ZINC001164908338 721719597 /nfs/dbraw/zinc/71/95/97/721719597.db2.gz WZPKRBDJHKZYKE-NRFANRHFSA-N 2 2 399.489 3.406 20 0 GGADLP CCc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)cc(C)[nH+]1 ZINC001164912795 721725292 /nfs/dbraw/zinc/72/52/92/721725292.db2.gz QFYDLOYBBPSISE-FQEVSTJZSA-N 2 2 387.478 3.480 20 0 GGADLP CCc1nc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc(C)[nH+]1 ZINC001164912795 721725302 /nfs/dbraw/zinc/72/53/02/721725302.db2.gz QFYDLOYBBPSISE-FQEVSTJZSA-N 2 2 387.478 3.480 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021419 721821054 /nfs/dbraw/zinc/82/10/54/721821054.db2.gz FMRWHXWRMGDOFX-SESVDKBCSA-N 2 2 393.535 3.480 20 0 GGADLP CC(=O)Nc1c(C)cc[nH+]c1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165021419 721821055 /nfs/dbraw/zinc/82/10/55/721821055.db2.gz FMRWHXWRMGDOFX-SESVDKBCSA-N 2 2 393.535 3.480 20 0 GGADLP CCc1cc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)nc(C)[nH+]1 ZINC001165020294 721842490 /nfs/dbraw/zinc/84/24/90/721842490.db2.gz BVUDPRIVKFRWFH-UHFFFAOYSA-N 2 2 384.524 3.465 20 0 GGADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)[nH+]c3c2CCC3)CC1 ZINC001165020255 721843108 /nfs/dbraw/zinc/84/31/08/721843108.db2.gz BEYNPQCOTOWRJB-UHFFFAOYSA-N 2 2 396.535 3.392 20 0 GGADLP C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001164933269 721881780 /nfs/dbraw/zinc/88/17/80/721881780.db2.gz LIVZLIWRWHQZAZ-RTWAWAEBSA-N 2 2 379.552 3.050 20 0 GGADLP C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1[nH+]c(N2CCCC2)cc2ccccc21 ZINC001164933265 721881996 /nfs/dbraw/zinc/88/19/96/721881996.db2.gz LIVZLIWRWHQZAZ-LEWJYISDSA-N 2 2 379.552 3.050 20 0 GGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N(C)C)[nH+]c(C)n4)CC3)C2)cc1 ZINC001164938300 721922126 /nfs/dbraw/zinc/92/21/26/721922126.db2.gz KTGYZWZMRQCIDF-UHFFFAOYSA-N 2 2 395.551 3.031 20 0 GGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N(C)C)[nH+]c(C)n4)CC3)C2)cc1 ZINC001164938300 721922132 /nfs/dbraw/zinc/92/21/32/721922132.db2.gz KTGYZWZMRQCIDF-UHFFFAOYSA-N 2 2 395.551 3.031 20 0 GGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N(C)C)nc(C)[nH+]4)CC3)C2)cc1 ZINC001164938300 721922134 /nfs/dbraw/zinc/92/21/34/721922134.db2.gz KTGYZWZMRQCIDF-UHFFFAOYSA-N 2 2 395.551 3.031 20 0 GGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N(C)C)nc(C)[nH+]4)CC3)C2)cc1 ZINC001164938300 721922137 /nfs/dbraw/zinc/92/21/37/721922137.db2.gz KTGYZWZMRQCIDF-UHFFFAOYSA-N 2 2 395.551 3.031 20 0 GGADLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(N)cc(Cl)[nH+]4)CC3)C2)cc1 ZINC001164940507 721924301 /nfs/dbraw/zinc/92/43/01/721924301.db2.gz SFIWRXBYYCBMFS-UHFFFAOYSA-N 2 2 386.927 3.497 20 0 GGADLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N)cc(Cl)[nH+]4)CC3)C2)cc1 ZINC001164940507 721924303 /nfs/dbraw/zinc/92/43/03/721924303.db2.gz SFIWRXBYYCBMFS-UHFFFAOYSA-N 2 2 386.927 3.497 20 0 GGADLP CC[NH+](CC)C1CCN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC1 ZINC001165051502 722001099 /nfs/dbraw/zinc/00/10/99/722001099.db2.gz GZDKCFMVZVXEPE-UHFFFAOYSA-N 2 2 379.552 3.346 20 0 GGADLP CC[NH+](CC)C1CCN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC1 ZINC001165051502 722001102 /nfs/dbraw/zinc/00/11/02/722001102.db2.gz GZDKCFMVZVXEPE-UHFFFAOYSA-N 2 2 379.552 3.346 20 0 GGADLP c1cncc(C[N@@H+]2CCC3(C2)CCN(c2nc(N4CCCCC4)cc[nH+]2)CC3)c1 ZINC001164956033 722019636 /nfs/dbraw/zinc/01/96/36/722019636.db2.gz UMJFLEWGIMIWRE-UHFFFAOYSA-N 2 2 392.551 3.354 20 0 GGADLP c1cncc(C[N@H+]2CCC3(C2)CCN(c2nc(N4CCCCC4)cc[nH+]2)CC3)c1 ZINC001164956033 722019638 /nfs/dbraw/zinc/01/96/38/722019638.db2.gz UMJFLEWGIMIWRE-UHFFFAOYSA-N 2 2 392.551 3.354 20 0 GGADLP CCN(CC)c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc[nH+]1 ZINC001164955506 722020096 /nfs/dbraw/zinc/02/00/96/722020096.db2.gz JUHJFTDSTOIQBO-UHFFFAOYSA-N 2 2 380.540 3.210 20 0 GGADLP CCN(CC)c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc[nH+]1 ZINC001164955506 722020098 /nfs/dbraw/zinc/02/00/98/722020098.db2.gz JUHJFTDSTOIQBO-UHFFFAOYSA-N 2 2 380.540 3.210 20 0 GGADLP CCN(CC)c1cc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH+]cn1 ZINC001164955506 722020101 /nfs/dbraw/zinc/02/01/01/722020101.db2.gz JUHJFTDSTOIQBO-UHFFFAOYSA-N 2 2 380.540 3.210 20 0 GGADLP CCN(CC)c1cc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]cn1 ZINC001164955506 722020105 /nfs/dbraw/zinc/02/01/05/722020105.db2.gz JUHJFTDSTOIQBO-UHFFFAOYSA-N 2 2 380.540 3.210 20 0 GGADLP Cc1nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001164984091 722102431 /nfs/dbraw/zinc/10/24/31/722102431.db2.gz RRNODTOCSLTWIV-TZIWHRDSSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc(C(C)C)[nH+]1 ZINC001164984091 722102433 /nfs/dbraw/zinc/10/24/33/722102433.db2.gz RRNODTOCSLTWIV-TZIWHRDSSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001164983381 722140068 /nfs/dbraw/zinc/14/00/68/722140068.db2.gz UUGFCRLFLPGLAI-UXHICEINSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc(C(C)C)[nH+]1 ZINC001164983381 722140070 /nfs/dbraw/zinc/14/00/70/722140070.db2.gz UUGFCRLFLPGLAI-UXHICEINSA-N 2 2 381.524 3.031 20 0 GGADLP Cc1cc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001164973254 722145642 /nfs/dbraw/zinc/14/56/42/722145642.db2.gz BNYMBNDBPMLAGI-WOJBJXKFSA-N 2 2 395.551 3.205 20 0 GGADLP Cc1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc(C(C)(C)C)[nH+]1 ZINC001164973254 722145644 /nfs/dbraw/zinc/14/56/44/722145644.db2.gz BNYMBNDBPMLAGI-WOJBJXKFSA-N 2 2 395.551 3.205 20 0 GGADLP C[NH+](C)CCOCc1ncn2c1CN(c1cc(-c3ccccc3)cc[nH+]1)CCC2 ZINC001165000566 722251755 /nfs/dbraw/zinc/25/17/55/722251755.db2.gz SACAMXLRNNFRCT-UHFFFAOYSA-N 2 2 391.519 3.434 20 0 GGADLP C[NH+](C)CCOCc1ncn2c1C[N@@H+](C(C)(C)c1ccnc(Cl)c1)CCC2 ZINC001165004374 722258100 /nfs/dbraw/zinc/25/81/00/722258100.db2.gz QNYCRSCVJWZLJS-UHFFFAOYSA-N 2 2 391.947 3.151 20 0 GGADLP C[NH+](C)CCOCc1ncn2c1C[N@H+](C(C)(C)c1ccnc(Cl)c1)CCC2 ZINC001165004374 722258103 /nfs/dbraw/zinc/25/81/03/722258103.db2.gz QNYCRSCVJWZLJS-UHFFFAOYSA-N 2 2 391.947 3.151 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824545996 946785630 /nfs/dbraw/zinc/78/56/30/946785630.db2.gz FZLXPLPEQUGGEA-OAHLLOKOSA-N 2 2 380.471 3.321 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000824893097 946975824 /nfs/dbraw/zinc/97/58/24/946975824.db2.gz PHCNFKFPXZDLNE-BEFAXECRSA-N 2 2 380.471 3.149 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000824893097 946975830 /nfs/dbraw/zinc/97/58/30/946975830.db2.gz PHCNFKFPXZDLNE-BEFAXECRSA-N 2 2 380.471 3.149 20 0 GGADLP CC[NH+](CC)CCn1c2ccccc2[nH+]c1NCc1cccc(-c2nn[nH]n2)c1 ZINC000825416952 947183942 /nfs/dbraw/zinc/18/39/42/947183942.db2.gz NOISWOORSXFNDG-UHFFFAOYSA-N 2 2 390.495 3.170 20 0 GGADLP Cc1cccc(F)c1C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826298416 947863102 /nfs/dbraw/zinc/86/31/02/947863102.db2.gz RLZCLGBMLWSQAW-UHFFFAOYSA-N 2 2 380.471 3.068 20 0 GGADLP Cc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826305289 947875456 /nfs/dbraw/zinc/87/54/56/947875456.db2.gz QWWMGPNRJSCDAV-JOCHJYFZSA-N 2 2 388.519 3.417 20 0 GGADLP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826376315 948165474 /nfs/dbraw/zinc/16/54/74/948165474.db2.gz XRTNWUXKUVMMMV-NRFANRHFSA-N 2 2 392.482 3.247 20 0 GGADLP O[C@H]([C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)C(F)(F)F ZINC000604765289 1126099386 /nfs/dbraw/zinc/09/93/86/1126099386.db2.gz FFHVPIISDAIVKA-RTBURBONSA-N 2 2 375.394 3.496 20 0 GGADLP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000328630367 212086880 /nfs/dbraw/zinc/08/68/80/212086880.db2.gz JINGPCFSNYQBDA-WBVHZDCISA-N 2 2 387.450 3.069 20 0 GGADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)Cc2cn3cc(C)ccc3n2)[C@@H]1c1cnn(C)c1 ZINC000328624238 212086196 /nfs/dbraw/zinc/08/61/96/212086196.db2.gz CHUDVRJZESHCDB-PGRDOPGGSA-N 2 2 380.540 3.281 20 0 GGADLP CC[N@H+]1CCC[C@@H](C[NH+](C)Cc2cn3cc(C)ccc3n2)[C@@H]1c1cnn(C)c1 ZINC000328624238 212086198 /nfs/dbraw/zinc/08/61/98/212086198.db2.gz CHUDVRJZESHCDB-PGRDOPGGSA-N 2 2 380.540 3.281 20 0 GGADLP CC[NH+]1CCC[C@@H](C[N@H+](C)Cc2cn3cc(C)ccc3n2)[C@@H]1c1cnn(C)c1 ZINC000328624238 212086201 /nfs/dbraw/zinc/08/62/01/212086201.db2.gz CHUDVRJZESHCDB-PGRDOPGGSA-N 2 2 380.540 3.281 20 0 GGADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)Cc2cn3cc(C)ccc3n2)[C@@H]1c1cnn(C)c1 ZINC000328624238 212086203 /nfs/dbraw/zinc/08/62/03/212086203.db2.gz CHUDVRJZESHCDB-PGRDOPGGSA-N 2 2 380.540 3.281 20 0 GGADLP OC1CC[NH+](CCC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000238158824 136192359 /nfs/dbraw/zinc/19/23/59/136192359.db2.gz UUMPREUDXAYAGK-UHFFFAOYSA-N 2 2 382.552 3.162 20 0 GGADLP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC000235429302 565936686 /nfs/dbraw/zinc/93/66/86/565936686.db2.gz CXHVIJHLJRHQPP-SECBINFHSA-N 2 2 380.124 3.347 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000234341317 565934707 /nfs/dbraw/zinc/93/47/07/565934707.db2.gz NPSQCTMMEGHFFP-SNVBAGLBSA-N 2 2 392.135 3.349 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000234341317 565934715 /nfs/dbraw/zinc/93/47/15/565934715.db2.gz NPSQCTMMEGHFFP-SNVBAGLBSA-N 2 2 392.135 3.349 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3ccc(Br)cn3)[nH+]c2)CC1 ZINC000540627031 564253510 /nfs/dbraw/zinc/25/35/10/564253510.db2.gz ZMMLRCGQZKJBDA-UHFFFAOYSA-N 2 2 390.329 3.382 20 0 GGADLP C[C@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000119537935 564275911 /nfs/dbraw/zinc/27/59/11/564275911.db2.gz FQRARNDCXMRSAK-QGZVFWFLSA-N 2 2 380.374 3.266 20 0 GGADLP C[C@@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000119537788 564276247 /nfs/dbraw/zinc/27/62/47/564276247.db2.gz FQRARNDCXMRSAK-KRWDZBQOSA-N 2 2 380.374 3.266 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000119663609 564282068 /nfs/dbraw/zinc/28/20/68/564282068.db2.gz HSDNTIQUFKJQAU-HIFRSBDPSA-N 2 2 380.330 3.301 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000119663609 564282069 /nfs/dbraw/zinc/28/20/69/564282069.db2.gz HSDNTIQUFKJQAU-HIFRSBDPSA-N 2 2 380.330 3.301 20 0 GGADLP Cc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000120654708 564330855 /nfs/dbraw/zinc/33/08/55/564330855.db2.gz BQIMGUDEHARHRZ-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Cc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000120654708 564330858 /nfs/dbraw/zinc/33/08/58/564330858.db2.gz BQIMGUDEHARHRZ-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[N@@H+]1C1CC1 ZINC000120688422 564332380 /nfs/dbraw/zinc/33/23/80/564332380.db2.gz YTIVGMPIADRBBB-YOEHRIQHSA-N 2 2 394.357 3.001 20 0 GGADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[N@H+]1C1CC1 ZINC000120688422 564332384 /nfs/dbraw/zinc/33/23/84/564332384.db2.gz YTIVGMPIADRBBB-YOEHRIQHSA-N 2 2 394.357 3.001 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[N@@H+]1C1CC1 ZINC000120688569 564332982 /nfs/dbraw/zinc/33/29/82/564332982.db2.gz YTIVGMPIADRBBB-RHSMWYFYSA-N 2 2 394.357 3.001 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)C[N@H+]1C1CC1 ZINC000120688569 564332984 /nfs/dbraw/zinc/33/29/84/564332984.db2.gz YTIVGMPIADRBBB-RHSMWYFYSA-N 2 2 394.357 3.001 20 0 GGADLP O[C@H](C[NH2+]Cc1cc(Br)cs1)C[N@@H+]1CCc2ccccc2C1 ZINC000030904068 564385308 /nfs/dbraw/zinc/38/53/08/564385308.db2.gz HWVJIPQOCHODFV-MRXNPFEDSA-N 2 2 381.339 3.019 20 0 GGADLP O[C@H](C[NH2+]Cc1cc(Br)cs1)C[N@H+]1CCc2ccccc2C1 ZINC000030904068 564385313 /nfs/dbraw/zinc/38/53/13/564385313.db2.gz HWVJIPQOCHODFV-MRXNPFEDSA-N 2 2 381.339 3.019 20 0 GGADLP C[N@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H](CO)c1cccc(Br)c1 ZINC000125830786 564527989 /nfs/dbraw/zinc/52/79/89/564527989.db2.gz NVBNSCAZTNAAJI-QGZVFWFLSA-N 2 2 387.281 3.195 20 0 GGADLP C[N@@H+](Cc1ccc(-n2cc[nH+]c2)nc1)[C@H](CO)c1cccc(Br)c1 ZINC000125830786 564527996 /nfs/dbraw/zinc/52/79/96/564527996.db2.gz NVBNSCAZTNAAJI-QGZVFWFLSA-N 2 2 387.281 3.195 20 0 GGADLP Cc1cc(Br)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000050797611 564559927 /nfs/dbraw/zinc/55/99/27/564559927.db2.gz CTGXNDNYTZRWHU-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CSc3ccccc3Cl)CC2)CC1 ZINC000050800275 564559947 /nfs/dbraw/zinc/55/99/47/564559947.db2.gz QQVVMBKZBYFPII-UHFFFAOYSA-N 2 2 381.973 3.107 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1Br ZINC000128223507 564611486 /nfs/dbraw/zinc/61/14/86/564611486.db2.gz XUIBZAMJRRTALR-WMLDXEAASA-N 2 2 382.346 3.077 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1Br ZINC000128223507 564611488 /nfs/dbraw/zinc/61/14/88/564611488.db2.gz XUIBZAMJRRTALR-WMLDXEAASA-N 2 2 382.346 3.077 20 0 GGADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000128481085 564619679 /nfs/dbraw/zinc/61/96/79/564619679.db2.gz KLWQMKYSABKGCT-ZDUSSCGKSA-N 2 2 376.726 3.346 20 0 GGADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000128481085 564619684 /nfs/dbraw/zinc/61/96/84/564619684.db2.gz KLWQMKYSABKGCT-ZDUSSCGKSA-N 2 2 376.726 3.346 20 0 GGADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000128480873 564620368 /nfs/dbraw/zinc/62/03/68/564620368.db2.gz KLWQMKYSABKGCT-CYBMUJFWSA-N 2 2 376.726 3.346 20 0 GGADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000128480873 564620370 /nfs/dbraw/zinc/62/03/70/564620370.db2.gz KLWQMKYSABKGCT-CYBMUJFWSA-N 2 2 376.726 3.346 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000130234281 564674182 /nfs/dbraw/zinc/67/41/82/564674182.db2.gz HVQRBCVPCZQJCZ-UHFFFAOYSA-N 2 2 377.838 3.115 20 0 GGADLP Brc1ccc(-c2nnc(C[N@@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)o2)o1 ZINC000131680980 564720356 /nfs/dbraw/zinc/72/03/56/564720356.db2.gz YKHJHCBUIKQQBZ-LBPRGKRZSA-N 2 2 391.225 3.140 20 0 GGADLP Brc1ccc(-c2nnc(C[N@H+]3CC[C@H](Oc4cc[nH+]cc4)C3)o2)o1 ZINC000131680980 564720360 /nfs/dbraw/zinc/72/03/60/564720360.db2.gz YKHJHCBUIKQQBZ-LBPRGKRZSA-N 2 2 391.225 3.140 20 0 GGADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131714565 564721098 /nfs/dbraw/zinc/72/10/98/564721098.db2.gz GSDMOZJTGTWDMU-HOCLYGCPSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000131714565 564721100 /nfs/dbraw/zinc/72/11/00/564721100.db2.gz GSDMOZJTGTWDMU-HOCLYGCPSA-N 2 2 383.275 3.281 20 0 GGADLP CC[NH+]1CCC(NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000133793692 564785749 /nfs/dbraw/zinc/78/57/49/564785749.db2.gz ODRNUMSINOKQGR-SFHVURJKSA-N 2 2 394.357 3.187 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)C1CC1 ZINC000134675746 564811970 /nfs/dbraw/zinc/81/19/70/564811970.db2.gz OQNQLVPHHUXWPA-ROUUACIJSA-N 2 2 394.357 3.042 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000134938385 564819270 /nfs/dbraw/zinc/81/92/70/564819270.db2.gz DFEUTLOUCABHDQ-RDTXWAMCSA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000134938385 564819272 /nfs/dbraw/zinc/81/92/72/564819272.db2.gz DFEUTLOUCABHDQ-RDTXWAMCSA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000134938385 564819275 /nfs/dbraw/zinc/81/92/75/564819275.db2.gz DFEUTLOUCABHDQ-RDTXWAMCSA-N 2 2 392.341 3.336 20 0 GGADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(Br)cc1 ZINC000134938385 564819277 /nfs/dbraw/zinc/81/92/77/564819277.db2.gz DFEUTLOUCABHDQ-RDTXWAMCSA-N 2 2 392.341 3.336 20 0 GGADLP C[NH+]1CCC(CNC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000135249517 564826170 /nfs/dbraw/zinc/82/61/70/564826170.db2.gz GYDICZCARRVAIB-GOSISDBHSA-N 2 2 394.357 3.044 20 0 GGADLP Brc1cnc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000135293454 564826987 /nfs/dbraw/zinc/82/69/87/564826987.db2.gz QBFXXLQBALOLEQ-JTQLQIEISA-N 2 2 389.135 3.181 20 0 GGADLP Brc1cnc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000135293454 564826989 /nfs/dbraw/zinc/82/69/89/564826989.db2.gz QBFXXLQBALOLEQ-JTQLQIEISA-N 2 2 389.135 3.181 20 0 GGADLP Brc1cnc(C[NH2+]CCCCn2cc[nH+]c2)c(Br)c1 ZINC000135299287 564827011 /nfs/dbraw/zinc/82/70/11/564827011.db2.gz BRVATWJNSQENJV-UHFFFAOYSA-N 2 2 388.107 3.373 20 0 GGADLP Brc1cnc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Br)c1 ZINC000135293471 564827173 /nfs/dbraw/zinc/82/71/73/564827173.db2.gz QBFXXLQBALOLEQ-SNVBAGLBSA-N 2 2 389.135 3.181 20 0 GGADLP Brc1cnc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Br)c1 ZINC000135293471 564827179 /nfs/dbraw/zinc/82/71/79/564827179.db2.gz QBFXXLQBALOLEQ-SNVBAGLBSA-N 2 2 389.135 3.181 20 0 GGADLP C[NH2+]CC1CC[NH+](Cc2ncc(Br)cc2Br)CC1 ZINC000135327395 564827986 /nfs/dbraw/zinc/82/79/86/564827986.db2.gz SLJIYXHQSOQOLH-UHFFFAOYSA-N 2 2 377.124 3.038 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000139902208 564869793 /nfs/dbraw/zinc/86/97/93/564869793.db2.gz CKGZTUAMTNCNGJ-PBHICJAKSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000139902208 564869795 /nfs/dbraw/zinc/86/97/95/564869795.db2.gz CKGZTUAMTNCNGJ-PBHICJAKSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139902208 564869799 /nfs/dbraw/zinc/86/97/99/564869799.db2.gz CKGZTUAMTNCNGJ-PBHICJAKSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000139902208 564869805 /nfs/dbraw/zinc/86/98/05/564869805.db2.gz CKGZTUAMTNCNGJ-PBHICJAKSA-N 2 2 380.330 3.112 20 0 GGADLP C[C@H](CC[NH+]1CCOCC1)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000092566034 564878625 /nfs/dbraw/zinc/87/86/25/564878625.db2.gz NKYHBGVRIXTPST-GFCCVEGCSA-N 2 2 393.272 3.251 20 0 GGADLP Brc1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000150754906 564889172 /nfs/dbraw/zinc/88/91/72/564889172.db2.gz HVFAIYJWDUTZGG-CQSZACIVSA-N 2 2 381.314 3.138 20 0 GGADLP Brc1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCC3)C1)OCCO2 ZINC000150754906 564889178 /nfs/dbraw/zinc/88/91/78/564889178.db2.gz HVFAIYJWDUTZGG-CQSZACIVSA-N 2 2 381.314 3.138 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000150793304 564891349 /nfs/dbraw/zinc/89/13/49/564891349.db2.gz WJXFNYRHFGNOLG-HZPDHXFCSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Br)cc1 ZINC000150793304 564891350 /nfs/dbraw/zinc/89/13/50/564891350.db2.gz WJXFNYRHFGNOLG-HZPDHXFCSA-N 2 2 394.357 3.044 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150808047 564892036 /nfs/dbraw/zinc/89/20/36/564892036.db2.gz MYTGLBDKFBGMAA-MRXNPFEDSA-N 2 2 384.351 3.370 20 0 GGADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150808047 564892041 /nfs/dbraw/zinc/89/20/41/564892041.db2.gz MYTGLBDKFBGMAA-MRXNPFEDSA-N 2 2 384.351 3.370 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1Br ZINC000098144000 564912997 /nfs/dbraw/zinc/91/29/97/564912997.db2.gz IGMMCRQUIQALHV-ZBFHGGJFSA-N 2 2 385.346 3.201 20 0 GGADLP C[N@@H+](Cc1nnc(-c2ccccc2Br)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152423298 564958934 /nfs/dbraw/zinc/95/89/34/564958934.db2.gz YNGIPUNIYQKYRQ-CYBMUJFWSA-N 2 2 379.302 3.273 20 0 GGADLP C[N@H+](Cc1nnc(-c2ccccc2Br)o1)C[C@@H]1CCC[NH+](C)C1 ZINC000152423298 564958936 /nfs/dbraw/zinc/95/89/36/564958936.db2.gz YNGIPUNIYQKYRQ-CYBMUJFWSA-N 2 2 379.302 3.273 20 0 GGADLP C[NH+](Cc1nnc(-c2ccccc2Br)o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152423298 564958938 /nfs/dbraw/zinc/95/89/38/564958938.db2.gz YNGIPUNIYQKYRQ-CYBMUJFWSA-N 2 2 379.302 3.273 20 0 GGADLP C[NH+](Cc1nnc(-c2ccccc2Br)o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152423298 564958940 /nfs/dbraw/zinc/95/89/40/564958940.db2.gz YNGIPUNIYQKYRQ-CYBMUJFWSA-N 2 2 379.302 3.273 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152989579 564980739 /nfs/dbraw/zinc/98/07/39/564980739.db2.gz GMKIQAMSYXMHKN-MAUKXSAKSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000152989579 564980741 /nfs/dbraw/zinc/98/07/41/564980741.db2.gz GMKIQAMSYXMHKN-MAUKXSAKSA-N 2 2 377.330 3.288 20 0 GGADLP COCCC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1ccc(Br)cc1 ZINC000153196283 564987697 /nfs/dbraw/zinc/98/76/97/564987697.db2.gz XIIGXLAOAVCOSB-LPHOPBHVSA-N 2 2 399.373 3.475 20 0 GGADLP C[C@@H](C[NH2+][C@H]1CCCOc2cc(Br)ccc21)C[NH+]1CCOCC1 ZINC000153295372 564991131 /nfs/dbraw/zinc/99/11/31/564991131.db2.gz DTFHEAITJVDRMZ-YOEHRIQHSA-N 2 2 383.330 3.221 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Br)cc3Cl)C2)CC1 ZINC000107368873 564999189 /nfs/dbraw/zinc/99/91/89/564999189.db2.gz SRXXUUSAGWIFBG-INIZCTEOSA-N 2 2 386.765 3.314 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Br)cc3Cl)C2)CC1 ZINC000107368873 564999193 /nfs/dbraw/zinc/99/91/93/564999193.db2.gz SRXXUUSAGWIFBG-INIZCTEOSA-N 2 2 386.765 3.314 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000153657110 565004567 /nfs/dbraw/zinc/00/45/67/565004567.db2.gz YDQOWBZWUDJNAZ-LBPRGKRZSA-N 2 2 378.249 3.149 20 0 GGADLP CC(C)[NH2+]C1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC1 ZINC000108370688 565010912 /nfs/dbraw/zinc/01/09/12/565010912.db2.gz MRFIFOHJTWYEOY-OAHLLOKOSA-N 2 2 396.373 3.258 20 0 GGADLP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792163 565031717 /nfs/dbraw/zinc/03/17/17/565031717.db2.gz PUNLADMDKCUBND-UHFFFAOYSA-N 2 2 377.286 3.230 20 0 GGADLP Cc1nc(-c2ccccc2Br)sc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154267301 565031923 /nfs/dbraw/zinc/03/19/23/565031923.db2.gz DSWLPADUTDTURM-DGCLKSJQSA-N 2 2 398.370 3.454 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC(n3cc[nH+]c3)CC2)c(Br)c1 ZINC000109794155 565032194 /nfs/dbraw/zinc/03/21/94/565032194.db2.gz QDWYMZUTTFAMEM-UHFFFAOYSA-N 2 2 377.286 3.230 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154278401 565032741 /nfs/dbraw/zinc/03/27/41/565032741.db2.gz JVQMWLHSEXRDFN-CQSZACIVSA-N 2 2 375.314 3.290 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000154278401 565032745 /nfs/dbraw/zinc/03/27/45/565032745.db2.gz JVQMWLHSEXRDFN-CQSZACIVSA-N 2 2 375.314 3.290 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000369268007 565083480 /nfs/dbraw/zinc/08/34/80/565083480.db2.gz QSGNHDACPUDMJU-ZDUSSCGKSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3sc4ccccc4c3Cl)C2)CC1 ZINC000369268007 565083484 /nfs/dbraw/zinc/08/34/84/565083484.db2.gz QSGNHDACPUDMJU-ZDUSSCGKSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369277301 565084874 /nfs/dbraw/zinc/08/48/74/565084874.db2.gz LBSIQJNTRKYKQZ-OAHLLOKOSA-N 2 2 384.351 3.211 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000369277301 565084880 /nfs/dbraw/zinc/08/48/80/565084880.db2.gz LBSIQJNTRKYKQZ-OAHLLOKOSA-N 2 2 384.351 3.211 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C[N@@H+]1C1CC1 ZINC000156476871 565089341 /nfs/dbraw/zinc/08/93/41/565089341.db2.gz MRPNIIHSGMHGIH-VYDXJSESSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)C[N@H+]1C1CC1 ZINC000156476871 565089345 /nfs/dbraw/zinc/08/93/45/565089345.db2.gz MRPNIIHSGMHGIH-VYDXJSESSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266790514 565091439 /nfs/dbraw/zinc/09/14/39/565091439.db2.gz WZPRGJFJDQMXJO-LBPRGKRZSA-N 2 2 377.286 3.379 20 0 GGADLP C[NH+]1CCC([N@H+](CCO)Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000156533055 565092373 /nfs/dbraw/zinc/09/23/73/565092373.db2.gz DJSFDGCDMQPHOV-UHFFFAOYSA-N 2 2 395.263 3.356 20 0 GGADLP C[NH+]1CCC([N@@H+](CCO)Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000156533055 565092377 /nfs/dbraw/zinc/09/23/77/565092377.db2.gz DJSFDGCDMQPHOV-UHFFFAOYSA-N 2 2 395.263 3.356 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Br ZINC000369429972 565093186 /nfs/dbraw/zinc/09/31/86/565093186.db2.gz XUQHJHNWALEYJM-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1Br ZINC000369429972 565093192 /nfs/dbraw/zinc/09/31/92/565093192.db2.gz XUQHJHNWALEYJM-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1 ZINC000266890238 565095890 /nfs/dbraw/zinc/09/58/90/565095890.db2.gz CSIJZZZZFXEIDH-ZDUSSCGKSA-N 2 2 377.286 3.380 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)Nc1ccc(Br)cc1 ZINC000266890238 565095896 /nfs/dbraw/zinc/09/58/96/565095896.db2.gz CSIJZZZZFXEIDH-ZDUSSCGKSA-N 2 2 377.286 3.380 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267385135 565116866 /nfs/dbraw/zinc/11/68/66/565116866.db2.gz BKYCUTBTSKWTSX-HNNXBMFYSA-N 2 2 391.313 3.010 20 0 GGADLP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267385135 565116870 /nfs/dbraw/zinc/11/68/70/565116870.db2.gz BKYCUTBTSKWTSX-HNNXBMFYSA-N 2 2 391.313 3.010 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000370081401 565127035 /nfs/dbraw/zinc/12/70/35/565127035.db2.gz FMKFEMDJCNIQJI-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Br)c(F)c3)C2)CC1 ZINC000370081401 565127036 /nfs/dbraw/zinc/12/70/36/565127036.db2.gz FMKFEMDJCNIQJI-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1 ZINC000157622741 565137956 /nfs/dbraw/zinc/13/79/56/565137956.db2.gz VCEHDVXUKKWDOH-CXAGYDPISA-N 2 2 380.330 3.240 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000157622741 565137966 /nfs/dbraw/zinc/13/79/66/565137966.db2.gz VCEHDVXUKKWDOH-CXAGYDPISA-N 2 2 380.330 3.240 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157623041 565138004 /nfs/dbraw/zinc/13/80/04/565138004.db2.gz VCEHDVXUKKWDOH-DYVFJYSZSA-N 2 2 380.330 3.240 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157623041 565138013 /nfs/dbraw/zinc/13/80/13/565138013.db2.gz VCEHDVXUKKWDOH-DYVFJYSZSA-N 2 2 380.330 3.240 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](CC2CC2)C1 ZINC000157622883 565138829 /nfs/dbraw/zinc/13/88/29/565138829.db2.gz VCEHDVXUKKWDOH-GUYCJALGSA-N 2 2 380.330 3.240 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1 ZINC000157622883 565138830 /nfs/dbraw/zinc/13/88/30/565138830.db2.gz VCEHDVXUKKWDOH-GUYCJALGSA-N 2 2 380.330 3.240 20 0 GGADLP Cc1cc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC000157664905 565140507 /nfs/dbraw/zinc/14/05/07/565140507.db2.gz PUZRWIWNOFYUTH-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP Cc1cc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1Br ZINC000157664905 565140513 /nfs/dbraw/zinc/14/05/13/565140513.db2.gz PUZRWIWNOFYUTH-UHFFFAOYSA-N 2 2 397.361 3.247 20 0 GGADLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4ccccc4Br)o3)C2)C1 ZINC000292925079 565142325 /nfs/dbraw/zinc/14/23/25/565142325.db2.gz INOSTTTZZKNRMO-SFHVURJKSA-N 2 2 391.313 3.417 20 0 GGADLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3nnc(-c4ccccc4Br)o3)C2)C1 ZINC000292925079 565142329 /nfs/dbraw/zinc/14/23/29/565142329.db2.gz INOSTTTZZKNRMO-SFHVURJKSA-N 2 2 391.313 3.417 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3nnc(-c4ccccc4Br)o3)C2)C1 ZINC000292925079 565142335 /nfs/dbraw/zinc/14/23/35/565142335.db2.gz INOSTTTZZKNRMO-SFHVURJKSA-N 2 2 391.313 3.417 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3nnc(-c4ccccc4Br)o3)C2)C1 ZINC000292925079 565142340 /nfs/dbraw/zinc/14/23/40/565142340.db2.gz INOSTTTZZKNRMO-SFHVURJKSA-N 2 2 391.313 3.417 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000293032161 565147469 /nfs/dbraw/zinc/14/74/69/565147469.db2.gz JAMYIRPVBUEDBO-MLGOLLRUSA-N 2 2 375.738 3.194 20 0 GGADLP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@](C)(O)c2ccc(Br)cc2Cl)C1 ZINC000293032161 565147473 /nfs/dbraw/zinc/14/74/73/565147473.db2.gz JAMYIRPVBUEDBO-MLGOLLRUSA-N 2 2 375.738 3.194 20 0 GGADLP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000370704964 565156665 /nfs/dbraw/zinc/15/66/65/565156665.db2.gz CPGFGAORUYZVII-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1Br ZINC000370704964 565156668 /nfs/dbraw/zinc/15/66/68/565156668.db2.gz CPGFGAORUYZVII-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000370704963 565156902 /nfs/dbraw/zinc/15/69/02/565156902.db2.gz CPGFGAORUYZVII-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1Br ZINC000370704963 565156906 /nfs/dbraw/zinc/15/69/06/565156906.db2.gz CPGFGAORUYZVII-QFBILLFUSA-N 2 2 380.374 3.215 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Cl)c(F)cc3Cl)CC2)CC1 ZINC000293223217 565156881 /nfs/dbraw/zinc/15/68/81/565156881.db2.gz YXURKMBXLULHDZ-UHFFFAOYSA-N 2 2 388.314 3.421 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000370695656 565157005 /nfs/dbraw/zinc/15/70/05/565157005.db2.gz BZUSPOQUOZLZKQ-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(Br)c1 ZINC000370695656 565157011 /nfs/dbraw/zinc/15/70/11/565157011.db2.gz BZUSPOQUOZLZKQ-LPHOPBHVSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Br ZINC000370708764 565158183 /nfs/dbraw/zinc/15/81/83/565158183.db2.gz ICWASMPQGDCMNI-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1Br ZINC000370708764 565158184 /nfs/dbraw/zinc/15/81/84/565158184.db2.gz ICWASMPQGDCMNI-VQIMIIECSA-N 2 2 380.374 3.215 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C2CC[NH+](C)CC2)nnn1-c1cccc(Br)c1 ZINC000268709399 565163544 /nfs/dbraw/zinc/16/35/44/565163544.db2.gz CYXQUIQWPOTFDU-GFCCVEGCSA-N 2 2 378.318 3.083 20 0 GGADLP Cc1c([C@H](C)[NH2+]CCCn2cc[nH+]c2)nnn1-c1cccc(Br)c1 ZINC000268747407 565166377 /nfs/dbraw/zinc/16/63/77/565166377.db2.gz SNFIVZSDWCZJLE-ZDUSSCGKSA-N 2 2 389.301 3.276 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2=O)ccc1Br ZINC000184991624 565170667 /nfs/dbraw/zinc/17/06/67/565170667.db2.gz QTUGBDWAADXZCB-DAYGRLMNSA-N 2 2 392.341 3.079 20 0 GGADLP Cc1cc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2=O)ccc1Br ZINC000184991624 565170671 /nfs/dbraw/zinc/17/06/71/565170671.db2.gz QTUGBDWAADXZCB-DAYGRLMNSA-N 2 2 392.341 3.079 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000158529803 565172321 /nfs/dbraw/zinc/17/23/21/565172321.db2.gz FVXRUFZHZZBLOJ-ZBFHGGJFSA-N 2 2 391.313 3.415 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000158529803 565172323 /nfs/dbraw/zinc/17/23/23/565172323.db2.gz FVXRUFZHZZBLOJ-ZBFHGGJFSA-N 2 2 391.313 3.415 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000158529803 565172325 /nfs/dbraw/zinc/17/23/25/565172325.db2.gz FVXRUFZHZZBLOJ-ZBFHGGJFSA-N 2 2 391.313 3.415 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cccc(Br)c4)no3)CC[C@@H]21 ZINC000158529803 565172328 /nfs/dbraw/zinc/17/23/28/565172328.db2.gz FVXRUFZHZZBLOJ-ZBFHGGJFSA-N 2 2 391.313 3.415 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1Br ZINC000158619668 565176411 /nfs/dbraw/zinc/17/64/11/565176411.db2.gz PVXCJPOXXYDMBR-RHSMWYFYSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1Br ZINC000158619668 565176416 /nfs/dbraw/zinc/17/64/16/565176416.db2.gz PVXCJPOXXYDMBR-RHSMWYFYSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Br ZINC000158619668 565176422 /nfs/dbraw/zinc/17/64/22/565176422.db2.gz PVXCJPOXXYDMBR-RHSMWYFYSA-N 2 2 380.330 3.112 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1Br ZINC000158619668 565176426 /nfs/dbraw/zinc/17/64/26/565176426.db2.gz PVXCJPOXXYDMBR-RHSMWYFYSA-N 2 2 380.330 3.112 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(Br)cc1F ZINC000269122266 565178125 /nfs/dbraw/zinc/17/81/25/565178125.db2.gz DOBNQYOZFZBNJN-UHFFFAOYSA-N 2 2 383.265 3.135 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CCC(=O)Nc1ccc(Br)cc1F ZINC000269122266 565178126 /nfs/dbraw/zinc/17/81/26/565178126.db2.gz DOBNQYOZFZBNJN-UHFFFAOYSA-N 2 2 383.265 3.135 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158754167 565180384 /nfs/dbraw/zinc/18/03/84/565180384.db2.gz JMGMASHUUVJVBT-QAPCUYQASA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158754167 565180386 /nfs/dbraw/zinc/18/03/86/565180386.db2.gz JMGMASHUUVJVBT-QAPCUYQASA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158754167 565180388 /nfs/dbraw/zinc/18/03/88/565180388.db2.gz JMGMASHUUVJVBT-QAPCUYQASA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158754167 565180391 /nfs/dbraw/zinc/18/03/91/565180391.db2.gz JMGMASHUUVJVBT-QAPCUYQASA-N 2 2 384.351 3.368 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000185182606 565184063 /nfs/dbraw/zinc/18/40/63/565184063.db2.gz SZKDUFOEBXYJKH-MRXNPFEDSA-N 2 2 375.314 3.279 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158860029 565184287 /nfs/dbraw/zinc/18/42/87/565184287.db2.gz SXMLGPCKBIIEJE-CJNGLKHVSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158860029 565184292 /nfs/dbraw/zinc/18/42/92/565184292.db2.gz SXMLGPCKBIIEJE-CJNGLKHVSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158860029 565184295 /nfs/dbraw/zinc/18/42/95/565184295.db2.gz SXMLGPCKBIIEJE-CJNGLKHVSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3Br)OCCO4)CC[C@@H]21 ZINC000158860029 565184301 /nfs/dbraw/zinc/18/43/01/565184301.db2.gz SXMLGPCKBIIEJE-CJNGLKHVSA-N 2 2 381.314 3.136 20 0 GGADLP C[C@H]1C[N@H+](Cc2cc(F)cc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371305615 565185421 /nfs/dbraw/zinc/18/54/21/565185421.db2.gz ZMISYYZIIWHZPP-KBXCAEBGSA-N 2 2 384.337 3.046 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000185196053 565185690 /nfs/dbraw/zinc/18/56/90/565185690.db2.gz CFVGWOISPUKJOV-HNNXBMFYSA-N 2 2 375.314 3.279 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000185198186 565185847 /nfs/dbraw/zinc/18/58/47/565185847.db2.gz CKHPWXKWXAPSLX-UHFFFAOYSA-N 2 2 391.313 3.337 20 0 GGADLP COc1ccc(Br)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371301423 565186067 /nfs/dbraw/zinc/18/60/67/565186067.db2.gz UIELDPSEKMNWJL-JFIYKMOQSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371301423 565186073 /nfs/dbraw/zinc/18/60/73/565186073.db2.gz UIELDPSEKMNWJL-JFIYKMOQSA-N 2 2 383.330 3.141 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000371333108 565187765 /nfs/dbraw/zinc/18/77/65/565187765.db2.gz CKLJFRJCLYRFFZ-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP C[C@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371342331 565188409 /nfs/dbraw/zinc/18/84/09/565188409.db2.gz XCRAEGOJHCOREM-YJBOKZPZSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371342331 565188417 /nfs/dbraw/zinc/18/84/17/565188417.db2.gz XCRAEGOJHCOREM-YJBOKZPZSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]1C[N@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371342329 565188878 /nfs/dbraw/zinc/18/88/78/565188878.db2.gz XCRAEGOJHCOREM-MAUKXSAKSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H]1C[N@@H+](Cc2csc(-c3ccsc3)n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371342329 565188882 /nfs/dbraw/zinc/18/88/82/565188882.db2.gz XCRAEGOJHCOREM-MAUKXSAKSA-N 2 2 376.595 3.329 20 0 GGADLP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000371420303 565192168 /nfs/dbraw/zinc/19/21/68/565192168.db2.gz VJJSKENFWRSAAA-VQIMIIECSA-N 2 2 380.374 3.264 20 0 GGADLP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1cccc(Br)c1 ZINC000371420303 565192169 /nfs/dbraw/zinc/19/21/69/565192169.db2.gz VJJSKENFWRSAAA-VQIMIIECSA-N 2 2 380.374 3.264 20 0 GGADLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730068 565219408 /nfs/dbraw/zinc/21/94/08/565219408.db2.gz ZYFDXMKHLRDCOG-YEWWUXTCSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@H]([NH2+][C@H](C(N)=O)c1ccc(Br)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730068 565219412 /nfs/dbraw/zinc/21/94/12/565219412.db2.gz ZYFDXMKHLRDCOG-YEWWUXTCSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372329368 565232874 /nfs/dbraw/zinc/23/28/74/565232874.db2.gz BMKCQZLVRSCGCR-KBXCAEBGSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372329368 565232879 /nfs/dbraw/zinc/23/28/79/565232879.db2.gz BMKCQZLVRSCGCR-KBXCAEBGSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372329369 565233021 /nfs/dbraw/zinc/23/30/21/565233021.db2.gz BMKCQZLVRSCGCR-KDOFPFPSSA-N 2 2 384.337 3.046 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372329369 565233024 /nfs/dbraw/zinc/23/30/24/565233024.db2.gz BMKCQZLVRSCGCR-KDOFPFPSSA-N 2 2 384.337 3.046 20 0 GGADLP OC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)cc1 ZINC000271418024 565253292 /nfs/dbraw/zinc/25/32/92/565253292.db2.gz BNQNVQLPAJTXRQ-KRWDZBQOSA-N 2 2 376.298 3.136 20 0 GGADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1ccc(Br)cc1 ZINC000271515736 565256641 /nfs/dbraw/zinc/25/66/41/565256641.db2.gz NTLJKWWZRDDZFM-LJQANCHMSA-N 2 2 390.325 3.132 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000271776101 565267668 /nfs/dbraw/zinc/26/76/68/565267668.db2.gz GCPSBRNMCKCEIM-QGZVFWFLSA-N 2 2 389.323 3.034 20 0 GGADLP Brc1cncc(C[NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000186584270 565269953 /nfs/dbraw/zinc/26/99/53/565269953.db2.gz VHEVPYQPDYILHG-UHFFFAOYSA-N 2 2 389.341 3.146 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000373106723 565270405 /nfs/dbraw/zinc/27/04/05/565270405.db2.gz MAUZIVHLIMFVDE-LLVKDONJSA-N 2 2 392.257 3.205 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Br)o3)o2)C1 ZINC000373106723 565270410 /nfs/dbraw/zinc/27/04/10/565270410.db2.gz MAUZIVHLIMFVDE-LLVKDONJSA-N 2 2 392.257 3.205 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]C[C@H]1CCCn2cc(C)[nH+]c21 ZINC000373459713 565286900 /nfs/dbraw/zinc/28/69/00/565286900.db2.gz GJTJBHUDUXWNBQ-OAHLLOKOSA-N 2 2 381.929 3.306 20 0 GGADLP Cc1cccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Br ZINC000161755320 565292658 /nfs/dbraw/zinc/29/26/58/565292658.db2.gz PGELHNUJCOVDQP-UHFFFAOYSA-N 2 2 394.357 3.046 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000296278854 565309872 /nfs/dbraw/zinc/30/98/72/565309872.db2.gz DXJBSPWYSHQDPR-ISTVAULSSA-N 2 2 391.151 3.425 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000296278854 565309877 /nfs/dbraw/zinc/30/98/77/565309877.db2.gz DXJBSPWYSHQDPR-ISTVAULSSA-N 2 2 391.151 3.425 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(F)c3Br)cn2)CC1 ZINC000296241543 565308825 /nfs/dbraw/zinc/30/88/25/565308825.db2.gz CPCPZNFDVMAPDD-UHFFFAOYSA-N 2 2 393.304 3.025 20 0 GGADLP NC(=O)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1cccc(Br)c1 ZINC000162217339 565309683 /nfs/dbraw/zinc/30/96/83/565309683.db2.gz AVKDUWMKXVCUAP-SFHVURJKSA-N 2 2 394.357 3.362 20 0 GGADLP CC[C@@H]([NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1)c1nccn1C ZINC000273395200 565318991 /nfs/dbraw/zinc/31/89/91/565318991.db2.gz FGHKKZNWCCRCGH-OAHLLOKOSA-N 2 2 376.302 3.422 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)[nH+]c12 ZINC000273433600 565319726 /nfs/dbraw/zinc/31/97/26/565319726.db2.gz LKTWBOSGRWNOGX-GRDNDAEWSA-N 3 2 379.346 3.266 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)[nH+]c12 ZINC000273433600 565319729 /nfs/dbraw/zinc/31/97/29/565319729.db2.gz LKTWBOSGRWNOGX-GRDNDAEWSA-N 3 2 379.346 3.266 20 0 GGADLP Cc1cc(C)c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1Br ZINC000187568206 565341900 /nfs/dbraw/zinc/34/19/00/565341900.db2.gz LDAWQPOIUHXRHJ-UHFFFAOYSA-N 2 2 397.361 3.213 20 0 GGADLP COc1c(Br)cccc1CNc1ccc(N2CC[NH+](C)CC2)c[nH+]1 ZINC000187600628 565344369 /nfs/dbraw/zinc/34/43/69/565344369.db2.gz WTXBNICBTSOFIP-UHFFFAOYSA-N 2 2 391.313 3.217 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(Br)ncc1F ZINC000273905362 565344783 /nfs/dbraw/zinc/34/47/83/565344783.db2.gz WPPIMZCAQIEPKQ-IUIKQTSFSA-N 2 2 386.309 3.012 20 0 GGADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cc(Cl)ccc1Cl ZINC000187715124 565350251 /nfs/dbraw/zinc/35/02/51/565350251.db2.gz BWOSPUQPOQIVEP-CYBMUJFWSA-N 2 2 387.355 3.380 20 0 GGADLP CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000164879213 565363733 /nfs/dbraw/zinc/36/37/33/565363733.db2.gz DZRHPSRQWDRDNU-DLBZAZTESA-N 2 2 377.941 3.354 20 0 GGADLP CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000164879213 565363736 /nfs/dbraw/zinc/36/37/36/565363736.db2.gz DZRHPSRQWDRDNU-DLBZAZTESA-N 2 2 377.941 3.354 20 0 GGADLP [NH3+]C1(C(=O)N2CC[NH+](Cc3ccc(-c4cccc(Cl)c4)s3)CC2)CC1 ZINC000165353892 565368910 /nfs/dbraw/zinc/36/89/10/565368910.db2.gz ZPRZTJNEMISDAI-UHFFFAOYSA-N 2 2 375.925 3.204 20 0 GGADLP COCCC[C@@H]([NH2+][C@@H]1CCC[N@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297355382 565369152 /nfs/dbraw/zinc/36/91/52/565369152.db2.gz PJGLJSKXTDDSAO-RTBURBONSA-N 2 2 399.373 3.353 20 0 GGADLP COCCC[C@@H]([NH2+][C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(Br)cc1 ZINC000297355382 565369158 /nfs/dbraw/zinc/36/91/58/565369158.db2.gz PJGLJSKXTDDSAO-RTBURBONSA-N 2 2 399.373 3.353 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000165372819 565369367 /nfs/dbraw/zinc/36/93/67/565369367.db2.gz URZAMXBVUZQQCZ-CQSZACIVSA-N 2 2 395.320 3.427 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](c3nccn3C)C3CC3)[nH+]c12 ZINC000275090196 565392747 /nfs/dbraw/zinc/39/27/47/565392747.db2.gz OWROWIBRMLBLHJ-INIZCTEOSA-N 2 2 388.313 3.422 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](c3nccn3C)C3CC3)[nH+]c12 ZINC000275090201 565393171 /nfs/dbraw/zinc/39/31/71/565393171.db2.gz OWROWIBRMLBLHJ-MRXNPFEDSA-N 2 2 388.313 3.422 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccc(F)cc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375813699 565406727 /nfs/dbraw/zinc/40/67/27/565406727.db2.gz KBJWOGUTNAWXJX-KSSFIOAISA-N 2 2 384.337 3.046 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccc(F)cc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375813699 565406728 /nfs/dbraw/zinc/40/67/28/565406728.db2.gz KBJWOGUTNAWXJX-KSSFIOAISA-N 2 2 384.337 3.046 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3csc(-c4ccsc4)n3)C2)CC1 ZINC000375889863 565411506 /nfs/dbraw/zinc/41/15/06/565411506.db2.gz LNQUXLAMASWAPD-SFHVURJKSA-N 2 2 376.595 3.472 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(-c4ccsc4)n3)C2)CC1 ZINC000375889863 565411513 /nfs/dbraw/zinc/41/15/13/565411513.db2.gz LNQUXLAMASWAPD-SFHVURJKSA-N 2 2 376.595 3.472 20 0 GGADLP Cc1nn(C)c(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1Br ZINC000375916022 565412725 /nfs/dbraw/zinc/41/27/25/565412725.db2.gz ITTNPYKFPHBXSP-UHFFFAOYSA-N 2 2 391.357 3.288 20 0 GGADLP C[C@H]1C[N@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376203340 565426428 /nfs/dbraw/zinc/42/64/28/565426428.db2.gz MQJWRPVCGWGKGJ-YJBOKZPZSA-N 2 2 386.367 3.330 20 0 GGADLP C[C@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000376203340 565426433 /nfs/dbraw/zinc/42/64/33/565426433.db2.gz MQJWRPVCGWGKGJ-YJBOKZPZSA-N 2 2 386.367 3.330 20 0 GGADLP CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000376374083 565433252 /nfs/dbraw/zinc/43/32/52/565433252.db2.gz BJMWQRPJSCSASM-OAHLLOKOSA-N 2 2 381.973 3.350 20 0 GGADLP CCSc1cc(Cl)ccc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000376374083 565433255 /nfs/dbraw/zinc/43/32/55/565433255.db2.gz BJMWQRPJSCSASM-OAHLLOKOSA-N 2 2 381.973 3.350 20 0 GGADLP C[C@@H](c1ccc(Br)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636890 565446797 /nfs/dbraw/zinc/44/67/97/565446797.db2.gz MHWDPWGLMDVDHH-JTDSTZFVSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@@H](c1ccc(Br)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000376636890 565446803 /nfs/dbraw/zinc/44/68/03/565446803.db2.gz MHWDPWGLMDVDHH-JTDSTZFVSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000276577740 565452778 /nfs/dbraw/zinc/45/27/78/565452778.db2.gz CCSYKJQFPANYTC-WCQYABFASA-N 2 2 394.279 3.364 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000276577740 565452782 /nfs/dbraw/zinc/45/27/82/565452782.db2.gz CCSYKJQFPANYTC-WCQYABFASA-N 2 2 394.279 3.364 20 0 GGADLP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(Br)cn3)CC2)C[C@@H](C)O1 ZINC000171960280 565460501 /nfs/dbraw/zinc/46/05/01/565460501.db2.gz QVMCWBGLGORDEV-HUUCEWRRSA-N 2 2 382.346 3.165 20 0 GGADLP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000171960275 565460725 /nfs/dbraw/zinc/46/07/25/565460725.db2.gz QVMCWBGLGORDEV-GASCZTMLSA-N 2 2 382.346 3.165 20 0 GGADLP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(Br)cn3)CC2)C[C@H](C)O1 ZINC000171960275 565460726 /nfs/dbraw/zinc/46/07/26/565460726.db2.gz QVMCWBGLGORDEV-GASCZTMLSA-N 2 2 382.346 3.165 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1ccccc1Br ZINC000171974773 565460748 /nfs/dbraw/zinc/46/07/48/565460748.db2.gz MKNNYVZTKHAGFK-HNNXBMFYSA-N 2 2 389.341 3.447 20 0 GGADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000276960352 565469296 /nfs/dbraw/zinc/46/92/96/565469296.db2.gz LWVLPAUZYGKXQI-WBVHZDCISA-N 2 2 379.298 3.015 20 0 GGADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(Br)o1 ZINC000276960352 565469302 /nfs/dbraw/zinc/46/93/02/565469302.db2.gz LWVLPAUZYGKXQI-WBVHZDCISA-N 2 2 379.298 3.015 20 0 GGADLP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000301469427 565488946 /nfs/dbraw/zinc/48/89/46/565488946.db2.gz RYEWUJYNZJTTHP-CQSZACIVSA-N 2 2 376.298 3.156 20 0 GGADLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)c1 ZINC000377620236 565489873 /nfs/dbraw/zinc/48/98/73/565489873.db2.gz WBJIGEWSHZVZFA-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(Br)c1 ZINC000377620236 565489877 /nfs/dbraw/zinc/48/98/77/565489877.db2.gz WBJIGEWSHZVZFA-QGZVFWFLSA-N 2 2 396.373 3.058 20 0 GGADLP COc1c(Br)cccc1CN(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000377627375 565490432 /nfs/dbraw/zinc/49/04/32/565490432.db2.gz NGZMONWHUOJBLM-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP COc1c(Br)cccc1CN(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000377627375 565490435 /nfs/dbraw/zinc/49/04/35/565490435.db2.gz NGZMONWHUOJBLM-KRWDZBQOSA-N 2 2 396.373 3.058 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000377827640 565501227 /nfs/dbraw/zinc/50/12/27/565501227.db2.gz YNHJXLFNQUBEBK-AWEZNQCLSA-N 2 2 392.297 3.333 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000377827640 565501233 /nfs/dbraw/zinc/50/12/33/565501233.db2.gz YNHJXLFNQUBEBK-AWEZNQCLSA-N 2 2 392.297 3.333 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000377919882 565505162 /nfs/dbraw/zinc/50/51/62/565505162.db2.gz VWZYKOXFIOVAAP-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(Br)c3)C2)CC1 ZINC000377919882 565505166 /nfs/dbraw/zinc/50/51/66/565505166.db2.gz VWZYKOXFIOVAAP-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377911334 565505376 /nfs/dbraw/zinc/50/53/76/565505376.db2.gz NFSMDTXJFRNPPU-GOSISDBHSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377911334 565505383 /nfs/dbraw/zinc/50/53/83/565505383.db2.gz NFSMDTXJFRNPPU-GOSISDBHSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377911336 565505401 /nfs/dbraw/zinc/50/54/01/565505401.db2.gz NFSMDTXJFRNPPU-SFHVURJKSA-N 2 2 396.373 3.058 20 0 GGADLP COc1ccc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000377911336 565505404 /nfs/dbraw/zinc/50/54/04/565505404.db2.gz NFSMDTXJFRNPPU-SFHVURJKSA-N 2 2 396.373 3.058 20 0 GGADLP C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378310337 565521267 /nfs/dbraw/zinc/52/12/67/565521267.db2.gz CEBWBAWRKVCFDN-QAPCUYQASA-N 2 2 386.367 3.330 20 0 GGADLP C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378310337 565521272 /nfs/dbraw/zinc/52/12/72/565521272.db2.gz CEBWBAWRKVCFDN-QAPCUYQASA-N 2 2 386.367 3.330 20 0 GGADLP C[N@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190511495 565537670 /nfs/dbraw/zinc/53/76/70/565537670.db2.gz ZUCUSERPDATFSE-INIZCTEOSA-N 2 2 394.313 3.335 20 0 GGADLP C[N@@H+](CCn1cc[nH+]c1)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000190511495 565537675 /nfs/dbraw/zinc/53/76/75/565537675.db2.gz ZUCUSERPDATFSE-INIZCTEOSA-N 2 2 394.313 3.335 20 0 GGADLP C[C@@H](CC[NH+]1CCN(C)CC1)Nc1cc[nH+]c2c(Br)cccc12 ZINC000302289665 565539848 /nfs/dbraw/zinc/53/98/48/565539848.db2.gz WIWGSUCXMGVLPQ-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@@H](CCN1CC[NH+](C)CC1)Nc1cc[nH+]c2c(Br)cccc12 ZINC000302289665 565539851 /nfs/dbraw/zinc/53/98/51/565539851.db2.gz WIWGSUCXMGVLPQ-AWEZNQCLSA-N 2 2 377.330 3.435 20 0 GGADLP C[C@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000380931214 565541569 /nfs/dbraw/zinc/54/15/69/565541569.db2.gz GOSXVRGATODODX-YJBOKZPZSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+]1Cc1ccccc1 ZINC000380931214 565541572 /nfs/dbraw/zinc/54/15/72/565541572.db2.gz GOSXVRGATODODX-YJBOKZPZSA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@@H+]1Cc1ccccc1 ZINC000380931213 565541737 /nfs/dbraw/zinc/54/17/37/565541737.db2.gz GOSXVRGATODODX-QAPCUYQASA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]CCCn2cc(Br)cn2)C[N@H+]1Cc1ccccc1 ZINC000380931213 565541741 /nfs/dbraw/zinc/54/17/41/565541741.db2.gz GOSXVRGATODODX-QAPCUYQASA-N 2 2 377.330 3.288 20 0 GGADLP C[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[N@@H+]1CC(C)(C)O ZINC000302478386 565543707 /nfs/dbraw/zinc/54/37/07/565543707.db2.gz FUDUGDHRAKXHJN-CYBMUJFWSA-N 2 2 378.314 3.279 20 0 GGADLP C[C@@H]1CN(c2cc[nH+]c3c(Br)cccc23)CC[N@H+]1CC(C)(C)O ZINC000302478386 565543711 /nfs/dbraw/zinc/54/37/11/565543711.db2.gz FUDUGDHRAKXHJN-CYBMUJFWSA-N 2 2 378.314 3.279 20 0 GGADLP FC(F)(F)c1ccc(Br)c(C[NH2+]CCC[NH+]2CCOCC2)c1 ZINC000388940749 565552240 /nfs/dbraw/zinc/55/22/40/565552240.db2.gz GLIMZHHVUDJGQP-UHFFFAOYSA-N 2 2 381.236 3.280 20 0 GGADLP C[NH+](C)[C@H](CNc1cc(N2CCSCC2)[nH+]cn1)c1ccccc1Cl ZINC000302780811 565556384 /nfs/dbraw/zinc/55/63/84/565556384.db2.gz ITUFWTQRLRCCNZ-MRXNPFEDSA-N 2 2 377.945 3.398 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Br)c1 ZINC000391521642 565561983 /nfs/dbraw/zinc/56/19/83/565561983.db2.gz SNXVGBBMROBFDJ-DOTOQJQBSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(Br)c1 ZINC000391521642 565561987 /nfs/dbraw/zinc/56/19/87/565561987.db2.gz SNXVGBBMROBFDJ-DOTOQJQBSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(Br)c1 ZINC000391521642 565561990 /nfs/dbraw/zinc/56/19/90/565561990.db2.gz SNXVGBBMROBFDJ-DOTOQJQBSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(Br)c1 ZINC000391521642 565561994 /nfs/dbraw/zinc/56/19/94/565561994.db2.gz SNXVGBBMROBFDJ-DOTOQJQBSA-N 2 2 381.314 3.152 20 0 GGADLP Cc1cc[nH+]cc1CCC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000278840961 565580764 /nfs/dbraw/zinc/58/07/64/565580764.db2.gz DFEDZZZBYQPSAW-QGZVFWFLSA-N 2 2 376.298 3.244 20 0 GGADLP Cc1cc[nH+]cc1CCC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000278840961 565580770 /nfs/dbraw/zinc/58/07/70/565580770.db2.gz DFEDZZZBYQPSAW-QGZVFWFLSA-N 2 2 376.298 3.244 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1I ZINC000405223120 565585439 /nfs/dbraw/zinc/58/54/39/565585439.db2.gz RNCKGHZEZNDXDG-SNVBAGLBSA-N 2 2 375.641 3.319 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cc(Cl)ccc1I ZINC000405223115 565585522 /nfs/dbraw/zinc/58/55/22/565585522.db2.gz RNCKGHZEZNDXDG-JTQLQIEISA-N 2 2 375.641 3.319 20 0 GGADLP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405421740 565587271 /nfs/dbraw/zinc/58/72/71/565587271.db2.gz DRBYRFUANWNKDE-LLVKDONJSA-N 2 2 378.685 3.376 20 0 GGADLP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000405421740 565587272 /nfs/dbraw/zinc/58/72/72/565587272.db2.gz DRBYRFUANWNKDE-LLVKDONJSA-N 2 2 378.685 3.376 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1csc(Cl)c1 ZINC000191246889 565590965 /nfs/dbraw/zinc/59/09/65/565590965.db2.gz TWVAJFQBEJOCBO-CQSZACIVSA-N 2 2 378.929 3.186 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000173906530 565597642 /nfs/dbraw/zinc/59/76/42/565597642.db2.gz KGKWJCLCDSHPMV-RDJZCZTQSA-N 2 2 396.373 3.070 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000173906530 565597649 /nfs/dbraw/zinc/59/76/49/565597649.db2.gz KGKWJCLCDSHPMV-RDJZCZTQSA-N 2 2 396.373 3.070 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000173906530 565597655 /nfs/dbraw/zinc/59/76/55/565597655.db2.gz KGKWJCLCDSHPMV-RDJZCZTQSA-N 2 2 396.373 3.070 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000173906530 565597659 /nfs/dbraw/zinc/59/76/59/565597659.db2.gz KGKWJCLCDSHPMV-RDJZCZTQSA-N 2 2 396.373 3.070 20 0 GGADLP Cc1nn(C)c(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c1Br ZINC000279171339 565598839 /nfs/dbraw/zinc/59/88/39/565598839.db2.gz QTVMSQPWVCFXDL-UHFFFAOYSA-N 2 2 378.249 3.106 20 0 GGADLP COCC[N@H+](C)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191508097 565609522 /nfs/dbraw/zinc/60/95/22/565609522.db2.gz CDNWZRFGBMANIT-GOSISDBHSA-N 2 2 385.346 3.085 20 0 GGADLP COCC[N@@H+](C)CC[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000191508097 565609525 /nfs/dbraw/zinc/60/95/25/565609525.db2.gz CDNWZRFGBMANIT-GOSISDBHSA-N 2 2 385.346 3.085 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696330 565621821 /nfs/dbraw/zinc/62/18/21/565621821.db2.gz KABATYGYVOBGPQ-MRXNPFEDSA-N 2 2 396.373 3.059 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696330 565621822 /nfs/dbraw/zinc/62/18/22/565621822.db2.gz KABATYGYVOBGPQ-MRXNPFEDSA-N 2 2 396.373 3.059 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696330 565621823 /nfs/dbraw/zinc/62/18/23/565621823.db2.gz KABATYGYVOBGPQ-MRXNPFEDSA-N 2 2 396.373 3.059 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000191696330 565621825 /nfs/dbraw/zinc/62/18/25/565621825.db2.gz KABATYGYVOBGPQ-MRXNPFEDSA-N 2 2 396.373 3.059 20 0 GGADLP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)[C@H](C)C1 ZINC000409644134 565629777 /nfs/dbraw/zinc/62/97/77/565629777.db2.gz LPPISKFFGCNJKJ-NEPJUHHUSA-N 2 2 382.277 3.028 20 0 GGADLP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)[C@H](C)C1 ZINC000409644134 565629780 /nfs/dbraw/zinc/62/97/80/565629780.db2.gz LPPISKFFGCNJKJ-NEPJUHHUSA-N 2 2 382.277 3.028 20 0 GGADLP Brc1cnn(CCCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000280516575 565676116 /nfs/dbraw/zinc/67/61/16/565676116.db2.gz HINVEPIPKJQZQB-UHFFFAOYSA-N 2 2 378.318 3.079 20 0 GGADLP Brc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)o1 ZINC000192356701 565682255 /nfs/dbraw/zinc/68/22/55/565682255.db2.gz SANYSSQZYWWNGY-QGZVFWFLSA-N 2 2 379.298 3.423 20 0 GGADLP Brc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)o1 ZINC000192356701 565682260 /nfs/dbraw/zinc/68/22/60/565682260.db2.gz SANYSSQZYWWNGY-QGZVFWFLSA-N 2 2 379.298 3.423 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 ZINC000192423291 565688600 /nfs/dbraw/zinc/68/86/00/565688600.db2.gz NTMNPJQEWUDUOF-UHFFFAOYSA-N 2 2 377.291 3.280 20 0 GGADLP OC[C@H]([NH2+]CCCn1cc[nH+]c1)c1ccc(Br)cc1C(F)(F)F ZINC000280850569 565700139 /nfs/dbraw/zinc/70/01/39/565700139.db2.gz XYWNTZWEYYCJST-AWEZNQCLSA-N 2 2 392.219 3.378 20 0 GGADLP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192710146 565706888 /nfs/dbraw/zinc/70/68/88/565706888.db2.gz BFDJLRZZKKRLLE-MRXNPFEDSA-N 2 2 393.300 3.445 20 0 GGADLP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2c(F)cccc2Br)C1 ZINC000192710146 565706893 /nfs/dbraw/zinc/70/68/93/565706893.db2.gz BFDJLRZZKKRLLE-MRXNPFEDSA-N 2 2 393.300 3.445 20 0 GGADLP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000281027584 565709243 /nfs/dbraw/zinc/70/92/43/565709243.db2.gz ZWKZZZQOQCRPEE-QGZVFWFLSA-N 2 2 387.977 3.162 20 0 GGADLP C[C@@H](NC(=O)NCC[NH+]1CCC([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000175777840 565723404 /nfs/dbraw/zinc/72/34/04/565723404.db2.gz XLGFIKOBVCQPAU-CYBMUJFWSA-N 2 2 387.355 3.380 20 0 GGADLP Fc1ccc(Br)c(F)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000282022633 565761354 /nfs/dbraw/zinc/76/13/54/565761354.db2.gz NOPPHBACQRQFQN-GFCCVEGCSA-N 2 2 389.284 3.318 20 0 GGADLP O=C(CCc1c[nH+]c[nH]1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000193797770 565776464 /nfs/dbraw/zinc/77/64/64/565776464.db2.gz KTQGUZKOUJDBIS-UHFFFAOYSA-N 2 2 381.307 3.430 20 0 GGADLP O=C(CCc1c[nH]c[nH+]1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000193797770 565776470 /nfs/dbraw/zinc/77/64/70/565776470.db2.gz KTQGUZKOUJDBIS-UHFFFAOYSA-N 2 2 381.307 3.430 20 0 GGADLP Cc1cc(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1Br ZINC000331953213 565795254 /nfs/dbraw/zinc/79/52/54/565795254.db2.gz SVZABUPONYXIIS-UHFFFAOYSA-N 2 2 377.286 3.299 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332165016 565811377 /nfs/dbraw/zinc/81/13/77/565811377.db2.gz PGYMAQHONQKUEE-STQMWFEESA-N 2 2 377.286 3.379 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000332165016 565811381 /nfs/dbraw/zinc/81/13/81/565811381.db2.gz PGYMAQHONQKUEE-STQMWFEESA-N 2 2 377.286 3.379 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 ZINC000177153721 565831716 /nfs/dbraw/zinc/83/17/16/565831716.db2.gz YJWJYKZWOPUUKI-ZWKOTPCHSA-N 2 2 384.351 3.239 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1 ZINC000177158542 565832259 /nfs/dbraw/zinc/83/22/59/565832259.db2.gz IIGQPXGLDGHURS-JKSUJKDBSA-N 2 2 384.351 3.239 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 ZINC000177152677 565832282 /nfs/dbraw/zinc/83/22/82/565832282.db2.gz UHQRYWJLRHCBPP-IAGOWNOFSA-N 2 2 384.351 3.239 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(Br)cc1F ZINC000177331218 565844339 /nfs/dbraw/zinc/84/43/39/565844339.db2.gz AXKRXOUUNJUOMU-CABCVRRESA-N 2 2 398.320 3.475 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(=O)Nc1ccc(Br)cc1F ZINC000177331218 565844344 /nfs/dbraw/zinc/84/43/44/565844344.db2.gz AXKRXOUUNJUOMU-CABCVRRESA-N 2 2 398.320 3.475 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(Br)cc1F ZINC000177331218 565844349 /nfs/dbraw/zinc/84/43/49/565844349.db2.gz AXKRXOUUNJUOMU-CABCVRRESA-N 2 2 398.320 3.475 20 0 GGADLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(Br)cc1F ZINC000177331218 565844357 /nfs/dbraw/zinc/84/43/57/565844357.db2.gz AXKRXOUUNJUOMU-CABCVRRESA-N 2 2 398.320 3.475 20 0 GGADLP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000332611030 565847276 /nfs/dbraw/zinc/84/72/76/565847276.db2.gz FTNBKKQVEHTHBM-OLZOCXBDSA-N 2 2 396.333 3.001 20 0 GGADLP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000332611030 565847281 /nfs/dbraw/zinc/84/72/81/565847281.db2.gz FTNBKKQVEHTHBM-OLZOCXBDSA-N 2 2 396.333 3.001 20 0 GGADLP CC1(C)C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000177508441 565855940 /nfs/dbraw/zinc/85/59/40/565855940.db2.gz PVMJHKLMPGRCCT-UHFFFAOYSA-N 2 2 379.595 3.001 20 0 GGADLP CC1(C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCS1 ZINC000177508441 565855946 /nfs/dbraw/zinc/85/59/46/565855946.db2.gz PVMJHKLMPGRCCT-UHFFFAOYSA-N 2 2 379.595 3.001 20 0 GGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000285203427 565893439 /nfs/dbraw/zinc/89/34/39/565893439.db2.gz SWEHYJLVOABNHR-TZUVLKIQSA-N 2 2 394.357 3.183 20 0 GGADLP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1cccc(Br)c1 ZINC000285203427 565893443 /nfs/dbraw/zinc/89/34/43/565893443.db2.gz SWEHYJLVOABNHR-TZUVLKIQSA-N 2 2 394.357 3.183 20 0 GGADLP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414151750 565899257 /nfs/dbraw/zinc/89/92/57/565899257.db2.gz ZDAQVXHDDUWQBL-RBUKOAKNSA-N 2 2 375.310 3.195 20 0 GGADLP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)c2cccc(Br)c2)C1 ZINC000414151750 565899262 /nfs/dbraw/zinc/89/92/62/565899262.db2.gz ZDAQVXHDDUWQBL-RBUKOAKNSA-N 2 2 375.310 3.195 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414352099 565913355 /nfs/dbraw/zinc/91/33/55/565913355.db2.gz PEAAYCKRXFQNND-QRWLVFNGSA-N 2 2 392.385 3.486 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414352099 565913364 /nfs/dbraw/zinc/91/33/64/565913364.db2.gz PEAAYCKRXFQNND-QRWLVFNGSA-N 2 2 392.385 3.486 20 0 GGADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414363686 565915636 /nfs/dbraw/zinc/91/56/36/565915636.db2.gz HBPICOPHMCWXAM-LRDDRELGSA-N 2 2 381.318 3.114 20 0 GGADLP CO[C@@H](c1ccc(Br)cc1)[C@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414363683 565916224 /nfs/dbraw/zinc/91/62/24/565916224.db2.gz HBPICOPHMCWXAM-BLLLJJGKSA-N 2 2 381.318 3.114 20 0 GGADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)[NH2+]Cc1c[nH+]c(N(C)C)n1C ZINC000414363690 565916497 /nfs/dbraw/zinc/91/64/97/565916497.db2.gz HBPICOPHMCWXAM-WBMJQRKESA-N 2 2 381.318 3.114 20 0 GGADLP C[NH+]1CCC(C[NH2+]Cc2cc(Br)c(O)c(Br)c2)CC1 ZINC000234312736 565934530 /nfs/dbraw/zinc/93/45/30/565934530.db2.gz OTHDKSFBZFJLKK-UHFFFAOYSA-N 2 2 392.135 3.349 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000236626187 565941126 /nfs/dbraw/zinc/94/11/26/565941126.db2.gz ZOXACHNYDBXYMX-QGZVFWFLSA-N 2 2 385.335 3.452 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@H](CO)c3ccc(F)cc3)c[nH+]c12 ZINC000414528027 565945664 /nfs/dbraw/zinc/94/56/64/565945664.db2.gz NTXQUPFKEOMEOU-CQSZACIVSA-N 2 2 392.272 3.410 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@H](CO)c3ccc(F)cc3)c[nH+]c12 ZINC000414528023 565945691 /nfs/dbraw/zinc/94/56/91/565945691.db2.gz NTXQUPFKEOMEOU-AWEZNQCLSA-N 2 2 392.272 3.410 20 0 GGADLP C[C@H](c1cccc(Br)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360690983 565960164 /nfs/dbraw/zinc/96/01/64/565960164.db2.gz KZNJNBWTUPIIMG-MDZRGWNJSA-N 2 2 380.374 3.468 20 0 GGADLP C[C@H](c1cccc(Br)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000360690983 565960172 /nfs/dbraw/zinc/96/01/72/565960172.db2.gz KZNJNBWTUPIIMG-MDZRGWNJSA-N 2 2 380.374 3.468 20 0 GGADLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414792474 565960843 /nfs/dbraw/zinc/96/08/43/565960843.db2.gz IXUITYVLINJIHF-KRWDZBQOSA-N 2 2 378.314 3.496 20 0 GGADLP CCOc1c(Br)cc(Br)cc1C[NH2+]CC(C)(C)[NH3+] ZINC000414801491 565961401 /nfs/dbraw/zinc/96/14/01/565961401.db2.gz JHXIRLVEGQJORY-UHFFFAOYSA-N 2 2 380.124 3.437 20 0 GGADLP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CC2)cc(Br)c1OC(F)F ZINC000414805296 565962300 /nfs/dbraw/zinc/96/23/00/565962300.db2.gz PNBSZNPZDLIMAS-GFCCVEGCSA-N 2 2 379.245 3.276 20 0 GGADLP CCOc1cc(C[NH2+]C[C@@H]2CCC[NH2+]2)cc(Br)c1OC(F)F ZINC000414846159 565963507 /nfs/dbraw/zinc/96/35/07/565963507.db2.gz NEFUEXTYFIXVEG-NSHDSACASA-N 2 2 379.245 3.291 20 0 GGADLP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cncc(Br)c2)cc1 ZINC000414880343 565963772 /nfs/dbraw/zinc/96/37/72/565963772.db2.gz JOPMUFZRSJVHAA-MSOLQXFVSA-N 2 2 376.298 3.088 20 0 GGADLP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]Cc2cncc(Br)c2)cc1 ZINC000414880347 565964001 /nfs/dbraw/zinc/96/40/01/565964001.db2.gz JOPMUFZRSJVHAA-QZTJIDSGSA-N 2 2 376.298 3.088 20 0 GGADLP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cncc(Br)c2)cc1 ZINC000414880351 565964043 /nfs/dbraw/zinc/96/40/43/565964043.db2.gz JOPMUFZRSJVHAA-ROUUACIJSA-N 2 2 376.298 3.088 20 0 GGADLP CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1Br ZINC000414840725 565964351 /nfs/dbraw/zinc/96/43/51/565964351.db2.gz HEAWQBARFOIBMP-LLVKDONJSA-N 2 2 392.135 3.452 20 0 GGADLP CCOc1c(Br)cc(C[NH2+][C@H]2CCC[NH2+]C2)cc1Br ZINC000414867887 565964365 /nfs/dbraw/zinc/96/43/65/565964365.db2.gz PAACHAAXVQCNDB-NSHDSACASA-N 2 2 392.135 3.452 20 0 GGADLP CCOc1c(Br)cc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1Br ZINC000414894977 565965364 /nfs/dbraw/zinc/96/53/64/565965364.db2.gz MFQFKKMMXVBGRW-ZDUSSCGKSA-N 2 2 392.135 3.437 20 0 GGADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(-c2ccccc2Br)s1 ZINC000414975939 565966529 /nfs/dbraw/zinc/96/65/29/565966529.db2.gz NBDMTBVASXMWJK-ZDUSSCGKSA-N 2 2 380.355 3.171 20 0 GGADLP Fc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]Cc2cncc(Br)c2)cc1F ZINC000414950070 565967077 /nfs/dbraw/zinc/96/70/77/565967077.db2.gz FUEUUORRRWDLLV-PBHICJAKSA-N 2 2 382.252 3.358 20 0 GGADLP COC[C@@]1(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000414947976 565967442 /nfs/dbraw/zinc/96/74/42/565967442.db2.gz WITOBISMKZVBAE-AWEZNQCLSA-N 2 2 381.236 3.326 20 0 GGADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ncc(Br)cc1Br ZINC000414980430 565968019 /nfs/dbraw/zinc/96/80/19/565968019.db2.gz WVWNPGXEAZIQOP-LBPRGKRZSA-N 2 2 377.124 3.084 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000179283871 565970644 /nfs/dbraw/zinc/97/06/44/565970644.db2.gz XKQXLWOFIOFAFF-UHFFFAOYSA-N 2 2 387.355 3.161 20 0 GGADLP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000415109723 565972822 /nfs/dbraw/zinc/97/28/22/565972822.db2.gz ODWXWHULVMEVKD-RDJZCZTQSA-N 2 2 389.284 3.446 20 0 GGADLP [NH3+][C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)C[C@H]1c1ccccc1F ZINC000415130852 565975550 /nfs/dbraw/zinc/97/55/50/565975550.db2.gz XRYHMJBZZKTUEK-DOTOQJQBSA-N 2 2 389.272 3.163 20 0 GGADLP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130996 565975825 /nfs/dbraw/zinc/97/58/25/565975825.db2.gz RQJQDVUWNYUKOW-ZYHUDNBSSA-N 2 2 393.272 3.476 20 0 GGADLP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000415130996 565975830 /nfs/dbraw/zinc/97/58/30/565975830.db2.gz RQJQDVUWNYUKOW-ZYHUDNBSSA-N 2 2 393.272 3.476 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415135433 565976416 /nfs/dbraw/zinc/97/64/16/565976416.db2.gz WRKZMYAYBDOQHM-HOCLYGCPSA-N 2 2 385.346 3.281 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415135433 565976421 /nfs/dbraw/zinc/97/64/21/565976421.db2.gz WRKZMYAYBDOQHM-HOCLYGCPSA-N 2 2 385.346 3.281 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(F)cccc3Br)C2)CC1 ZINC000362623355 565980885 /nfs/dbraw/zinc/98/08/85/565980885.db2.gz RFLRYSFJJYUFLN-HNNXBMFYSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(F)cccc3Br)C2)CC1 ZINC000362623355 565980890 /nfs/dbraw/zinc/98/08/90/565980890.db2.gz RFLRYSFJJYUFLN-HNNXBMFYSA-N 2 2 384.337 3.189 20 0 GGADLP CCC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000245429585 565989784 /nfs/dbraw/zinc/98/97/84/565989784.db2.gz NEDMWFBAKHENMQ-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CCC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000245429585 565989789 /nfs/dbraw/zinc/98/97/89/565989789.db2.gz NEDMWFBAKHENMQ-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000245429585 565989795 /nfs/dbraw/zinc/98/97/95/565989795.db2.gz NEDMWFBAKHENMQ-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CCC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Br)c2)C1 ZINC000245429585 565989804 /nfs/dbraw/zinc/98/98/04/565989804.db2.gz NEDMWFBAKHENMQ-CABCVRRESA-N 2 2 382.346 3.440 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245445303 565990423 /nfs/dbraw/zinc/99/04/23/565990423.db2.gz KGKWJCLCDSHPMV-WBVHZDCISA-N 2 2 396.373 3.070 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245445303 565990427 /nfs/dbraw/zinc/99/04/27/565990427.db2.gz KGKWJCLCDSHPMV-WBVHZDCISA-N 2 2 396.373 3.070 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245445303 565990428 /nfs/dbraw/zinc/99/04/28/565990428.db2.gz KGKWJCLCDSHPMV-WBVHZDCISA-N 2 2 396.373 3.070 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000245445303 565990431 /nfs/dbraw/zinc/99/04/31/565990431.db2.gz KGKWJCLCDSHPMV-WBVHZDCISA-N 2 2 396.373 3.070 20 0 GGADLP Brc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc2c1OCCO2 ZINC000179704396 566001863 /nfs/dbraw/zinc/00/18/63/566001863.db2.gz XTYAWXDOXQZGCG-UHFFFAOYSA-N 2 2 378.270 3.254 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000245717682 566003560 /nfs/dbraw/zinc/00/35/60/566003560.db2.gz DAEVSUGSIHMCCP-GDBMZVCRSA-N 2 2 381.314 3.136 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000245717682 566003566 /nfs/dbraw/zinc/00/35/66/566003566.db2.gz DAEVSUGSIHMCCP-GDBMZVCRSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000245717682 566003570 /nfs/dbraw/zinc/00/35/70/566003570.db2.gz DAEVSUGSIHMCCP-GDBMZVCRSA-N 2 2 381.314 3.136 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(Br)c4c(c3)OCCO4)CC[C@H]21 ZINC000245717682 566003575 /nfs/dbraw/zinc/00/35/75/566003575.db2.gz DAEVSUGSIHMCCP-GDBMZVCRSA-N 2 2 381.314 3.136 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000245738804 566004335 /nfs/dbraw/zinc/00/43/35/566004335.db2.gz FYUDONJBROKHMI-CXAGYDPISA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000245738804 566004341 /nfs/dbraw/zinc/00/43/41/566004341.db2.gz FYUDONJBROKHMI-CXAGYDPISA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000245738804 566004345 /nfs/dbraw/zinc/00/43/45/566004345.db2.gz FYUDONJBROKHMI-CXAGYDPISA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000245738804 566004347 /nfs/dbraw/zinc/00/43/47/566004347.db2.gz FYUDONJBROKHMI-CXAGYDPISA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247008596 566048366 /nfs/dbraw/zinc/04/83/66/566048366.db2.gz PXAQLXJESNDQTA-KEYYUXOJSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247008596 566048367 /nfs/dbraw/zinc/04/83/67/566048367.db2.gz PXAQLXJESNDQTA-KEYYUXOJSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247008596 566048370 /nfs/dbraw/zinc/04/83/70/566048370.db2.gz PXAQLXJESNDQTA-KEYYUXOJSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247008596 566048374 /nfs/dbraw/zinc/04/83/74/566048374.db2.gz PXAQLXJESNDQTA-KEYYUXOJSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247008565 566048619 /nfs/dbraw/zinc/04/86/19/566048619.db2.gz PXAQLXJESNDQTA-CPUCHLNUSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247008565 566048625 /nfs/dbraw/zinc/04/86/25/566048625.db2.gz PXAQLXJESNDQTA-CPUCHLNUSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247008565 566048630 /nfs/dbraw/zinc/04/86/30/566048630.db2.gz PXAQLXJESNDQTA-CPUCHLNUSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247008565 566048636 /nfs/dbraw/zinc/04/86/36/566048636.db2.gz PXAQLXJESNDQTA-CPUCHLNUSA-N 2 2 380.330 3.192 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C[N@@H+]1C1CC1 ZINC000247040047 566050403 /nfs/dbraw/zinc/05/04/03/566050403.db2.gz MRPNIIHSGMHGIH-INMHGKMJSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)C[N@H+]1C1CC1 ZINC000247040047 566050406 /nfs/dbraw/zinc/05/04/06/566050406.db2.gz MRPNIIHSGMHGIH-INMHGKMJSA-N 2 2 378.358 3.490 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000247180893 566055272 /nfs/dbraw/zinc/05/52/72/566055272.db2.gz TVDZOJSVQBMLEW-IOASZLSFSA-N 2 2 380.330 3.381 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000247180893 566055278 /nfs/dbraw/zinc/05/52/78/566055278.db2.gz TVDZOJSVQBMLEW-IOASZLSFSA-N 2 2 380.330 3.381 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000247495559 566061945 /nfs/dbraw/zinc/06/19/45/566061945.db2.gz LFVFLWFPYXPZSB-CVEARBPZSA-N 2 2 396.373 3.290 20 0 GGADLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000247495559 566061948 /nfs/dbraw/zinc/06/19/48/566061948.db2.gz LFVFLWFPYXPZSB-CVEARBPZSA-N 2 2 396.373 3.290 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000247495567 566061977 /nfs/dbraw/zinc/06/19/77/566061977.db2.gz LFVFLWFPYXPZSB-HZPDHXFCSA-N 2 2 396.373 3.290 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C1 ZINC000247495567 566061979 /nfs/dbraw/zinc/06/19/79/566061979.db2.gz LFVFLWFPYXPZSB-HZPDHXFCSA-N 2 2 396.373 3.290 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000247922488 566068411 /nfs/dbraw/zinc/06/84/11/566068411.db2.gz BIFKXCNFXSVJIB-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000247922488 566068417 /nfs/dbraw/zinc/06/84/17/566068417.db2.gz BIFKXCNFXSVJIB-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000247922488 566068420 /nfs/dbraw/zinc/06/84/20/566068420.db2.gz BIFKXCNFXSVJIB-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000247922488 566068423 /nfs/dbraw/zinc/06/84/23/566068423.db2.gz BIFKXCNFXSVJIB-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247992096 566069852 /nfs/dbraw/zinc/06/98/52/566069852.db2.gz JMGMASHUUVJVBT-CRAIPNDOSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247992096 566069857 /nfs/dbraw/zinc/06/98/57/566069857.db2.gz JMGMASHUUVJVBT-CRAIPNDOSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247992096 566069863 /nfs/dbraw/zinc/06/98/63/566069863.db2.gz JMGMASHUUVJVBT-CRAIPNDOSA-N 2 2 384.351 3.368 20 0 GGADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247992096 566069868 /nfs/dbraw/zinc/06/98/68/566069868.db2.gz JMGMASHUUVJVBT-CRAIPNDOSA-N 2 2 384.351 3.368 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248556755 566081522 /nfs/dbraw/zinc/08/15/22/566081522.db2.gz LDTPELHIKRMHNA-SUMWQHHRSA-N 2 2 396.304 3.310 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000248556755 566081530 /nfs/dbraw/zinc/08/15/30/566081530.db2.gz LDTPELHIKRMHNA-SUMWQHHRSA-N 2 2 396.304 3.310 20 0 GGADLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620011 566083686 /nfs/dbraw/zinc/08/36/86/566083686.db2.gz ZYFDXMKHLRDCOG-DHSIGJKJSA-N 2 2 394.357 3.218 20 0 GGADLP C[C@H]([NH2+][C@@H](C(N)=O)c1ccc(Br)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248620011 566083689 /nfs/dbraw/zinc/08/36/89/566083689.db2.gz ZYFDXMKHLRDCOG-DHSIGJKJSA-N 2 2 394.357 3.218 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000180732108 566084613 /nfs/dbraw/zinc/08/46/13/566084613.db2.gz FYUDONJBROKHMI-DYVFJYSZSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(OC)c1 ZINC000180732108 566084617 /nfs/dbraw/zinc/08/46/17/566084617.db2.gz FYUDONJBROKHMI-DYVFJYSZSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(OC)c1 ZINC000180732108 566084619 /nfs/dbraw/zinc/08/46/19/566084619.db2.gz FYUDONJBROKHMI-DYVFJYSZSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(OC)c1 ZINC000180732108 566084621 /nfs/dbraw/zinc/08/46/21/566084621.db2.gz FYUDONJBROKHMI-DYVFJYSZSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248831020 566089880 /nfs/dbraw/zinc/08/98/80/566089880.db2.gz MLRCWJFSGGGGBO-DAYGRLMNSA-N 2 2 377.330 3.144 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248831020 566089884 /nfs/dbraw/zinc/08/98/84/566089884.db2.gz MLRCWJFSGGGGBO-DAYGRLMNSA-N 2 2 377.330 3.144 20 0 GGADLP CN1CC[N@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000289130810 566107778 /nfs/dbraw/zinc/10/77/78/566107778.db2.gz DXFLQIWSWAXVMC-KDOFPFPSSA-N 2 2 391.357 3.143 20 0 GGADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000289130810 566107782 /nfs/dbraw/zinc/10/77/82/566107782.db2.gz DXFLQIWSWAXVMC-KDOFPFPSSA-N 2 2 391.357 3.143 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000365647773 566112028 /nfs/dbraw/zinc/11/20/28/566112028.db2.gz FOMGXNUAWINQBD-CQSZACIVSA-N 2 2 391.313 3.391 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000365647773 566112032 /nfs/dbraw/zinc/11/20/32/566112032.db2.gz FOMGXNUAWINQBD-CQSZACIVSA-N 2 2 391.313 3.391 20 0 GGADLP c1csc(C[N@H+]2CCC[C@H](C[NH2+]Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000289221410 566112322 /nfs/dbraw/zinc/11/23/22/566112322.db2.gz JIVMRZGNKXWEDK-CQSZACIVSA-N 2 2 379.551 3.252 20 0 GGADLP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]Cc3cnc(C4OCCO4)s3)C2)c1 ZINC000289221410 566112327 /nfs/dbraw/zinc/11/23/27/566112327.db2.gz JIVMRZGNKXWEDK-CQSZACIVSA-N 2 2 379.551 3.252 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000365658067 566113802 /nfs/dbraw/zinc/11/38/02/566113802.db2.gz KCGPMJIINVEJQQ-AWEZNQCLSA-N 2 2 391.313 3.391 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000365658067 566113810 /nfs/dbraw/zinc/11/38/10/566113810.db2.gz KCGPMJIINVEJQQ-AWEZNQCLSA-N 2 2 391.313 3.391 20 0 GGADLP CN1CC[NH+](CC2CC[NH+](Cc3c(F)cccc3Br)CC2)CC1 ZINC000289387386 566120130 /nfs/dbraw/zinc/12/01/30/566120130.db2.gz DJQKTDBNQFWDHV-UHFFFAOYSA-N 2 2 384.337 3.048 20 0 GGADLP CN1CC[NH+](CC2CC[NH+](Cc3cc(Br)ccc3F)CC2)CC1 ZINC000289383775 566120207 /nfs/dbraw/zinc/12/02/07/566120207.db2.gz CVDXXKASFOJZQB-UHFFFAOYSA-N 2 2 384.337 3.048 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289631317 566132668 /nfs/dbraw/zinc/13/26/68/566132668.db2.gz XAXVGSVGOONOCP-UHFFFAOYSA-N 2 2 395.345 3.076 20 0 GGADLP [NH3+]CC[C@@H]1CCC[N@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000261807525 566134780 /nfs/dbraw/zinc/13/47/80/566134780.db2.gz HKEYDFKRFDTJEI-JTQLQIEISA-N 2 2 380.220 3.130 20 0 GGADLP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(F)ccc(I)c2F)C1 ZINC000261807525 566134786 /nfs/dbraw/zinc/13/47/86/566134786.db2.gz HKEYDFKRFDTJEI-JTQLQIEISA-N 2 2 380.220 3.130 20 0 GGADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261827436 566136178 /nfs/dbraw/zinc/13/61/78/566136178.db2.gz IVTWCCMOKNFRGI-SWLSCSKDSA-N 2 2 388.314 3.213 20 0 GGADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261827436 566136185 /nfs/dbraw/zinc/13/61/85/566136185.db2.gz IVTWCCMOKNFRGI-SWLSCSKDSA-N 2 2 388.314 3.213 20 0 GGADLP COCCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000366246167 566142600 /nfs/dbraw/zinc/14/26/00/566142600.db2.gz VYBDORREBVDFKH-FHWLQOOXSA-N 2 2 397.357 3.370 20 0 GGADLP COCCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000366246167 566142603 /nfs/dbraw/zinc/14/26/03/566142603.db2.gz VYBDORREBVDFKH-FHWLQOOXSA-N 2 2 397.357 3.370 20 0 GGADLP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2Br)CC1 ZINC000262015267 566143970 /nfs/dbraw/zinc/14/39/70/566143970.db2.gz VVBBQCRMHNYYOQ-AWEZNQCLSA-N 2 2 382.346 3.406 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Br)cc3Cl)C[C@H]21 ZINC000262108986 566147299 /nfs/dbraw/zinc/14/72/99/566147299.db2.gz JNWFMWXIKZRSCM-MPKXVKKWSA-N 2 2 386.721 3.100 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Br)cc3Cl)C[C@H]21 ZINC000262108986 566147301 /nfs/dbraw/zinc/14/73/01/566147301.db2.gz JNWFMWXIKZRSCM-MPKXVKKWSA-N 2 2 386.721 3.100 20 0 GGADLP C[NH2+]CCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000262343658 566150950 /nfs/dbraw/zinc/15/09/50/566150950.db2.gz IFLKDGYPJCUXEZ-QGZVFWFLSA-N 2 2 377.941 3.227 20 0 GGADLP C[NH2+]CCC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000262343658 566150951 /nfs/dbraw/zinc/15/09/51/566150951.db2.gz IFLKDGYPJCUXEZ-QGZVFWFLSA-N 2 2 377.941 3.227 20 0 GGADLP C[C@H](C[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+]1CCc2sccc2C1 ZINC000262382811 566151903 /nfs/dbraw/zinc/15/19/03/566151903.db2.gz NCCXWOCAOUPWFS-CXAGYDPISA-N 2 2 377.941 3.212 20 0 GGADLP C[C@H](C[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+]1CCc2sccc2C1 ZINC000262382811 566151907 /nfs/dbraw/zinc/15/19/07/566151907.db2.gz NCCXWOCAOUPWFS-CXAGYDPISA-N 2 2 377.941 3.212 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Br)cc1N1CCOCC1 ZINC000290420029 566171285 /nfs/dbraw/zinc/17/12/85/566171285.db2.gz KQXONVHRFNEXNS-UHFFFAOYSA-N 2 2 393.329 3.004 20 0 GGADLP CCn1c[nH+]cc1CNc1ccc(CN2CC[NH+](C)CC2)c(Br)c1 ZINC000418017397 566190137 /nfs/dbraw/zinc/19/01/37/566190137.db2.gz SLILLDNHSBWBCR-UHFFFAOYSA-N 2 2 392.345 3.025 20 0 GGADLP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccccc3Br)C2)CC1 ZINC000367200287 566190548 /nfs/dbraw/zinc/19/05/48/566190548.db2.gz OAQKUHYYRRVMLU-UHFFFAOYSA-N 2 2 380.330 3.195 20 0 GGADLP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccccc3Br)C2)CC1 ZINC000367200287 566190551 /nfs/dbraw/zinc/19/05/51/566190551.db2.gz OAQKUHYYRRVMLU-UHFFFAOYSA-N 2 2 380.330 3.195 20 0 GGADLP CSCC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2Cl)CC1)C(=O)N(C)C ZINC000367470281 566202636 /nfs/dbraw/zinc/20/26/36/566202636.db2.gz RXJWRZCEBXDMFO-SFHVURJKSA-N 2 2 383.989 3.104 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000367545159 566206477 /nfs/dbraw/zinc/20/64/77/566206477.db2.gz SRVIPSCHENAQSD-UNEWFSDZSA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000367545159 566206481 /nfs/dbraw/zinc/20/64/81/566206481.db2.gz SRVIPSCHENAQSD-UNEWFSDZSA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000367545156 566207058 /nfs/dbraw/zinc/20/70/58/566207058.db2.gz SRVIPSCHENAQSD-FRFSOERESA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000367545156 566207061 /nfs/dbraw/zinc/20/70/61/566207061.db2.gz SRVIPSCHENAQSD-FRFSOERESA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000367545157 566207117 /nfs/dbraw/zinc/20/71/17/566207117.db2.gz SRVIPSCHENAQSD-KMFMINBZSA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000367545157 566207119 /nfs/dbraw/zinc/20/71/19/566207119.db2.gz SRVIPSCHENAQSD-KMFMINBZSA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000367545158 566207240 /nfs/dbraw/zinc/20/72/40/566207240.db2.gz SRVIPSCHENAQSD-UKPHBRMFSA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1nc2cc(Br)ccc2o1 ZINC000367545158 566207245 /nfs/dbraw/zinc/20/72/45/566207245.db2.gz SRVIPSCHENAQSD-UKPHBRMFSA-N 2 2 394.313 3.274 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000367698721 566212458 /nfs/dbraw/zinc/21/24/58/566212458.db2.gz FOSJZTWTBSCBMQ-GFCCVEGCSA-N 2 2 377.279 3.297 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000367698721 566212460 /nfs/dbraw/zinc/21/24/60/566212460.db2.gz FOSJZTWTBSCBMQ-GFCCVEGCSA-N 2 2 377.279 3.297 20 0 GGADLP NC(=O)C[C@@H]([NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(Cl)c1 ZINC000291292378 566212799 /nfs/dbraw/zinc/21/27/99/566212799.db2.gz ZZCJBWLUQYWDTM-OAHLLOKOSA-N 2 2 377.838 3.263 20 0 GGADLP Cc1cc([C@@H](C)[NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)s1 ZINC000182738677 566221785 /nfs/dbraw/zinc/22/17/85/566221785.db2.gz VLNLQLLSGIPLAX-OAHLLOKOSA-N 2 2 377.579 3.421 20 0 GGADLP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368021631 566228190 /nfs/dbraw/zinc/22/81/90/566228190.db2.gz ZSXFTPFWKRNFBD-SUMWQHHRSA-N 2 2 379.551 3.423 20 0 GGADLP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ncc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368021631 566228191 /nfs/dbraw/zinc/22/81/91/566228191.db2.gz ZSXFTPFWKRNFBD-SUMWQHHRSA-N 2 2 379.551 3.423 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000368131970 566231332 /nfs/dbraw/zinc/23/13/32/566231332.db2.gz CSTNPKRTMIZZTG-HNNXBMFYSA-N 2 2 386.297 3.358 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000368131970 566231333 /nfs/dbraw/zinc/23/13/33/566231333.db2.gz CSTNPKRTMIZZTG-HNNXBMFYSA-N 2 2 386.297 3.358 20 0 GGADLP O=C1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1c1cccc(Br)c1 ZINC000419296598 566231848 /nfs/dbraw/zinc/23/18/48/566231848.db2.gz SFJWXCQZCNGYTH-GOSISDBHSA-N 2 2 392.341 3.161 20 0 GGADLP Cn1c[nH+]cc1CN(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000368200101 566232917 /nfs/dbraw/zinc/23/29/17/566232917.db2.gz HXCVVKLTUDVPIP-UHFFFAOYSA-N 2 2 377.330 3.279 20 0 GGADLP Brc1cnn(CCCC[NH2+]C2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000368440076 566239225 /nfs/dbraw/zinc/23/92/25/566239225.db2.gz AGRGRLTVKFLGSO-UHFFFAOYSA-N 2 2 392.345 3.075 20 0 GGADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000575156236 566254745 /nfs/dbraw/zinc/25/47/45/566254745.db2.gz LRDZJKPDUFQRGM-DNVCBOLYSA-N 2 2 383.989 3.104 20 0 GGADLP [NH3+]C[C@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCCC1 ZINC000420362544 566274039 /nfs/dbraw/zinc/27/40/39/566274039.db2.gz ONDHPDWAOXUSKM-AWEZNQCLSA-N 2 2 375.847 3.377 20 0 GGADLP C[C@@H](c1ccccc1Br)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420348953 566274300 /nfs/dbraw/zinc/27/43/00/566274300.db2.gz BGKXBWNTQPWTGC-ZDUSSCGKSA-N 2 2 390.329 3.084 20 0 GGADLP C[C@@H](c1cccc(Br)c1)[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000420354486 566274551 /nfs/dbraw/zinc/27/45/51/566274551.db2.gz OKPXCVFCCTUUSB-ZDUSSCGKSA-N 2 2 390.329 3.084 20 0 GGADLP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000420382165 566276025 /nfs/dbraw/zinc/27/60/25/566276025.db2.gz YMLRPJONWSFHHQ-INIZCTEOSA-N 2 2 391.309 3.395 20 0 GGADLP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCOc3ccc(Br)cc3C2)cc1 ZINC000420382165 566276033 /nfs/dbraw/zinc/27/60/33/566276033.db2.gz YMLRPJONWSFHHQ-INIZCTEOSA-N 2 2 391.309 3.395 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3c(ccc(Cl)c3Cl)[nH]2)CC1 ZINC000482022255 566277054 /nfs/dbraw/zinc/27/70/54/566277054.db2.gz QAWJTRWWCUXKTN-UHFFFAOYSA-N 2 2 383.323 3.231 20 0 GGADLP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000482032299 566277487 /nfs/dbraw/zinc/27/74/87/566277487.db2.gz ONAKBDIXQRQLFM-ZWKOTPCHSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000482032299 566277491 /nfs/dbraw/zinc/27/74/91/566277491.db2.gz ONAKBDIXQRQLFM-ZWKOTPCHSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000482025968 566277792 /nfs/dbraw/zinc/27/77/92/566277792.db2.gz LSWYXPDGORHSJF-MSOLQXFVSA-N 2 2 396.373 3.433 20 0 GGADLP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cccc(Br)c1 ZINC000482025968 566277798 /nfs/dbraw/zinc/27/77/98/566277798.db2.gz LSWYXPDGORHSJF-MSOLQXFVSA-N 2 2 396.373 3.433 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482043970 566278804 /nfs/dbraw/zinc/27/88/04/566278804.db2.gz QCTRNGQQZBXDLQ-YOEHRIQHSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1Br ZINC000482043970 566278809 /nfs/dbraw/zinc/27/88/09/566278809.db2.gz QCTRNGQQZBXDLQ-YOEHRIQHSA-N 2 2 382.346 3.042 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625141010 566281875 /nfs/dbraw/zinc/28/18/75/566281875.db2.gz KPSJGGNBDJIDFG-DOTOQJQBSA-N 2 2 389.297 3.236 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000625141010 566281880 /nfs/dbraw/zinc/28/18/80/566281880.db2.gz KPSJGGNBDJIDFG-DOTOQJQBSA-N 2 2 389.297 3.236 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000625185215 566286717 /nfs/dbraw/zinc/28/67/17/566286717.db2.gz ORHLKBBNAQSXOT-RDTXWAMCSA-N 2 2 392.341 3.120 20 0 GGADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000625185215 566286726 /nfs/dbraw/zinc/28/67/26/566286726.db2.gz ORHLKBBNAQSXOT-RDTXWAMCSA-N 2 2 392.341 3.120 20 0 GGADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C(N)=O)c1cccc(Br)c1 ZINC000482157687 566289102 /nfs/dbraw/zinc/28/91/02/566289102.db2.gz NBTVFZHLFUATFZ-JQHSSLGASA-N 2 2 396.373 3.466 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221492 566290346 /nfs/dbraw/zinc/29/03/46/566290346.db2.gz AYIXLZJVFAAOGN-JLSDUUJJSA-N 2 2 392.341 3.119 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221492 566290354 /nfs/dbraw/zinc/29/03/54/566290354.db2.gz AYIXLZJVFAAOGN-JLSDUUJJSA-N 2 2 392.341 3.119 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221492 566290358 /nfs/dbraw/zinc/29/03/58/566290358.db2.gz AYIXLZJVFAAOGN-JLSDUUJJSA-N 2 2 392.341 3.119 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)CC[C@@H]21 ZINC000625221492 566290368 /nfs/dbraw/zinc/29/03/68/566290368.db2.gz AYIXLZJVFAAOGN-JLSDUUJJSA-N 2 2 392.341 3.119 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462384650 566293270 /nfs/dbraw/zinc/29/32/70/566293270.db2.gz PKVOGJQINGPGAD-MEDUHNTESA-N 2 2 375.822 3.371 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462384650 566293274 /nfs/dbraw/zinc/29/32/74/566293274.db2.gz PKVOGJQINGPGAD-MEDUHNTESA-N 2 2 375.822 3.371 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000535316582 566295903 /nfs/dbraw/zinc/29/59/03/566295903.db2.gz KWXVNYQUPYOITB-ZDUSSCGKSA-N 2 2 388.269 3.222 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000535316582 566295910 /nfs/dbraw/zinc/29/59/10/566295910.db2.gz KWXVNYQUPYOITB-ZDUSSCGKSA-N 2 2 388.269 3.222 20 0 GGADLP C[N@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCSC1 ZINC000535319005 566296035 /nfs/dbraw/zinc/29/60/35/566296035.db2.gz SSGZZGYMNASIQW-ZWKOTPCHSA-N 2 2 381.973 3.030 20 0 GGADLP C[N@@H+](CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCSC1 ZINC000535319005 566296048 /nfs/dbraw/zinc/29/60/48/566296048.db2.gz SSGZZGYMNASIQW-ZWKOTPCHSA-N 2 2 381.973 3.030 20 0 GGADLP CN(Cc1cccc(F)c1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648585990 566296572 /nfs/dbraw/zinc/29/65/72/566296572.db2.gz HQYNSPJVFJYQHF-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1cccc(F)c1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648585990 566296580 /nfs/dbraw/zinc/29/65/80/566296580.db2.gz HQYNSPJVFJYQHF-MRXNPFEDSA-N 2 2 384.337 3.189 20 0 GGADLP O=C(C[NH+]1CCC(Nc2cccc[nH+]2)CC1)Nc1ccc(Br)cc1 ZINC000535577049 566313993 /nfs/dbraw/zinc/31/39/93/566313993.db2.gz YRCLORBVWAWKCZ-UHFFFAOYSA-N 2 2 389.297 3.359 20 0 GGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(I)c2)C1 ZINC000556601622 566316464 /nfs/dbraw/zinc/31/64/64/566316464.db2.gz QTDWKBDNIRYVPR-MRXNPFEDSA-N 2 2 384.305 3.455 20 0 GGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc(I)c2)C1 ZINC000556601622 566316469 /nfs/dbraw/zinc/31/64/69/566316469.db2.gz QTDWKBDNIRYVPR-MRXNPFEDSA-N 2 2 384.305 3.455 20 0 GGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc(I)c2)C1 ZINC000556601622 566316473 /nfs/dbraw/zinc/31/64/73/566316473.db2.gz QTDWKBDNIRYVPR-MRXNPFEDSA-N 2 2 384.305 3.455 20 0 GGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc(I)c2)C1 ZINC000556601622 566316480 /nfs/dbraw/zinc/31/64/80/566316480.db2.gz QTDWKBDNIRYVPR-MRXNPFEDSA-N 2 2 384.305 3.455 20 0 GGADLP Fc1ccc(Br)c2[nH+]ccc(N3CC[NH+]([C@H]4CCOC4)CC3)c12 ZINC000669654849 566316848 /nfs/dbraw/zinc/31/68/48/566316848.db2.gz WZDNFYBUDITBGL-LBPRGKRZSA-N 2 2 380.261 3.047 20 0 GGADLP O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3c(Br)ccc(F)c23)CC1 ZINC000669651344 566316870 /nfs/dbraw/zinc/31/68/70/566316870.db2.gz BGXDCQNWBJFMAC-HOCLYGCPSA-N 2 2 394.288 3.172 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2ccc(Br)s2)CC1 ZINC000535668171 566318773 /nfs/dbraw/zinc/31/87/73/566318773.db2.gz QZGMOYZQSHOUJF-UHFFFAOYSA-N 2 2 383.359 3.223 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000482641869 566322814 /nfs/dbraw/zinc/32/28/14/566322814.db2.gz LDQOHHLLZASIAO-NWDGAFQWSA-N 2 2 376.353 3.362 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000482633909 566323074 /nfs/dbraw/zinc/32/30/74/566323074.db2.gz XYUCZLNBEXWGKL-GJZGRUSLSA-N 2 2 386.323 3.137 20 0 GGADLP C[N@@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448443 566323339 /nfs/dbraw/zinc/32/33/39/566323339.db2.gz LHUCRPCERZIIKQ-MJGOQNOKSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@H+]1CCC[C@]2(CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448443 566323344 /nfs/dbraw/zinc/32/33/44/566323344.db2.gz LHUCRPCERZIIKQ-MJGOQNOKSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448443 566323350 /nfs/dbraw/zinc/32/33/50/566323350.db2.gz LHUCRPCERZIIKQ-MJGOQNOKSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CCC[C@]2(CC[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448443 566323355 /nfs/dbraw/zinc/32/33/55/566323355.db2.gz LHUCRPCERZIIKQ-MJGOQNOKSA-N 2 2 392.341 3.120 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c(Cl)sc(Cl)c21 ZINC000482641871 566323436 /nfs/dbraw/zinc/32/34/36/566323436.db2.gz LDQOHHLLZASIAO-VXGBXAGGSA-N 2 2 376.353 3.362 20 0 GGADLP C[N@@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448441 566323503 /nfs/dbraw/zinc/32/35/03/566323503.db2.gz LHUCRPCERZIIKQ-IEBWSBKVSA-N 2 2 392.341 3.120 20 0 GGADLP C[N@H+]1CCC[C@@]2(CC[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448441 566323510 /nfs/dbraw/zinc/32/35/10/566323510.db2.gz LHUCRPCERZIIKQ-IEBWSBKVSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448441 566323513 /nfs/dbraw/zinc/32/35/13/566323513.db2.gz LHUCRPCERZIIKQ-IEBWSBKVSA-N 2 2 392.341 3.120 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625448441 566323518 /nfs/dbraw/zinc/32/35/18/566323518.db2.gz LHUCRPCERZIIKQ-IEBWSBKVSA-N 2 2 392.341 3.120 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000482741629 566329474 /nfs/dbraw/zinc/32/94/74/566329474.db2.gz GNIOZXOTFBXMBD-SJLPKXTDSA-N 2 2 397.357 3.345 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000482750092 566330348 /nfs/dbraw/zinc/33/03/48/566330348.db2.gz BFRZRHCBONARCL-KSSFIOAISA-N 2 2 385.321 3.258 20 0 GGADLP c1csc([C@H]2CSCC[N@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000420923945 566330850 /nfs/dbraw/zinc/33/08/50/566330850.db2.gz RIWFGOZIERYBRG-GOSISDBHSA-N 2 2 375.563 3.265 20 0 GGADLP c1csc([C@H]2CSCC[N@@H+]2Cc2ccc(C[NH+]3CCOCC3)cc2)n1 ZINC000420923945 566330855 /nfs/dbraw/zinc/33/08/55/566330855.db2.gz RIWFGOZIERYBRG-GOSISDBHSA-N 2 2 375.563 3.265 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000576280003 566331819 /nfs/dbraw/zinc/33/18/19/566331819.db2.gz NUYRVMDAPXFLAH-DZGCQCFKSA-N 2 2 380.330 3.098 20 0 GGADLP O=C(CC[NH+]1CCC([NH+]2CCOCC2)CC1)Nc1c(Cl)cccc1Cl ZINC000625550133 566336192 /nfs/dbraw/zinc/33/61/92/566336192.db2.gz YUFSIFNBJKBKPC-UHFFFAOYSA-N 2 2 386.323 3.119 20 0 GGADLP COc1c(Cl)cc(Cl)cc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000556889696 566339921 /nfs/dbraw/zinc/33/99/21/566339921.db2.gz QIYJCQMISSOUEQ-UHFFFAOYSA-N 2 2 388.339 3.084 20 0 GGADLP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000482884136 566340711 /nfs/dbraw/zinc/34/07/11/566340711.db2.gz JPLQTEQEYFLJAY-WMZOPIPTSA-N 2 2 397.357 3.345 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)c[nH+]c12 ZINC000556934916 566346509 /nfs/dbraw/zinc/34/65/09/566346509.db2.gz XJXUNAYBANRKHD-GOSISDBHSA-N 2 2 377.330 3.323 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@]4(C3)CCC[N@H+](C)C4)c[nH+]c12 ZINC000556934916 566346514 /nfs/dbraw/zinc/34/65/14/566346514.db2.gz XJXUNAYBANRKHD-GOSISDBHSA-N 2 2 377.330 3.323 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000462784341 566353488 /nfs/dbraw/zinc/35/34/88/566353488.db2.gz DPVOBMSVGXCBEK-UHFFFAOYSA-N 2 2 387.293 3.095 20 0 GGADLP Cn1cc(C[NH+]2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)cn1 ZINC000462828837 566357345 /nfs/dbraw/zinc/35/73/45/566357345.db2.gz RAZLLLAYPHNZRW-UHFFFAOYSA-N 2 2 386.297 3.053 20 0 GGADLP O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000649267957 566359038 /nfs/dbraw/zinc/35/90/38/566359038.db2.gz OBBNZKUZCRUGOF-QZTJIDSGSA-N 2 2 394.288 3.172 20 0 GGADLP FC(F)(F)c1cc(Br)ccc1N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000649411985 566364637 /nfs/dbraw/zinc/36/46/37/566364637.db2.gz AYZOWOXDZZGNHQ-LBPRGKRZSA-N 2 2 392.263 3.199 20 0 GGADLP FC(F)(F)c1ncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000446757919 566365432 /nfs/dbraw/zinc/36/54/32/566365432.db2.gz DUFZFIDPFKFRTF-UHFFFAOYSA-N 2 2 377.476 3.486 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2C)CC1 ZINC000462906923 566366975 /nfs/dbraw/zinc/36/69/75/566366975.db2.gz QORZGNJYUOWBLF-UHFFFAOYSA-N 2 2 383.330 3.265 20 0 GGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000462956082 566370958 /nfs/dbraw/zinc/37/09/58/566370958.db2.gz YEJSDRASDRDIJV-OFQRWUPVSA-N 2 2 397.357 3.486 20 0 GGADLP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Br)cc1OCCCO ZINC000462956082 566370967 /nfs/dbraw/zinc/37/09/67/566370967.db2.gz YEJSDRASDRDIJV-OFQRWUPVSA-N 2 2 397.357 3.486 20 0 GGADLP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000462939293 566371161 /nfs/dbraw/zinc/37/11/61/566371161.db2.gz LOCVVQPDHOVIQJ-DZKIICNBSA-N 2 2 385.346 3.344 20 0 GGADLP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Br)cc1OCCCO ZINC000462939293 566371169 /nfs/dbraw/zinc/37/11/69/566371169.db2.gz LOCVVQPDHOVIQJ-DZKIICNBSA-N 2 2 385.346 3.344 20 0 GGADLP O[C@]1(C[NH2+]Cc2cc(F)ccc2Br)CC[N@H+](Cc2ccccc2)C1 ZINC000536413563 566371455 /nfs/dbraw/zinc/37/14/55/566371455.db2.gz DCMBBPFHMOMDED-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP O[C@]1(C[NH2+]Cc2cc(F)ccc2Br)CC[N@@H+](Cc2ccccc2)C1 ZINC000536413563 566371463 /nfs/dbraw/zinc/37/14/63/566371463.db2.gz DCMBBPFHMOMDED-IBGZPJMESA-N 2 2 393.300 3.315 20 0 GGADLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(Br)cc2OCCCO)CC1 ZINC000462948868 566371683 /nfs/dbraw/zinc/37/16/83/566371683.db2.gz VCFUXHFSGFPDKQ-CQSZACIVSA-N 2 2 385.346 3.345 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1nc2ccc(Br)cc2o1 ZINC000463119690 566385457 /nfs/dbraw/zinc/38/54/57/566385457.db2.gz QBECNDFVRQBFNT-FRFSOERESA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1nc2ccc(Br)cc2o1 ZINC000463119690 566385464 /nfs/dbraw/zinc/38/54/64/566385464.db2.gz QBECNDFVRQBFNT-FRFSOERESA-N 2 2 394.313 3.274 20 0 GGADLP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000483480954 566385885 /nfs/dbraw/zinc/38/58/85/566385885.db2.gz YQVNOBZASFCINF-DOTOQJQBSA-N 2 2 384.351 3.068 20 0 GGADLP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000483480954 566385893 /nfs/dbraw/zinc/38/58/93/566385893.db2.gz YQVNOBZASFCINF-DOTOQJQBSA-N 2 2 384.351 3.068 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000483480954 566385900 /nfs/dbraw/zinc/38/59/00/566385900.db2.gz YQVNOBZASFCINF-DOTOQJQBSA-N 2 2 384.351 3.068 20 0 GGADLP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)CC[C@H]21 ZINC000483480954 566385915 /nfs/dbraw/zinc/38/59/15/566385915.db2.gz YQVNOBZASFCINF-DOTOQJQBSA-N 2 2 384.351 3.068 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1nc2ccc(Br)cc2o1 ZINC000463119691 566386562 /nfs/dbraw/zinc/38/65/62/566386562.db2.gz QBECNDFVRQBFNT-KMFMINBZSA-N 2 2 394.313 3.274 20 0 GGADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1nc2ccc(Br)cc2o1 ZINC000463119691 566386566 /nfs/dbraw/zinc/38/65/66/566386566.db2.gz QBECNDFVRQBFNT-KMFMINBZSA-N 2 2 394.313 3.274 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000483739246 566399767 /nfs/dbraw/zinc/39/97/67/566399767.db2.gz DFPSCPANQLJZIH-WWGRRREGSA-N 2 2 392.345 3.472 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)nnn1-c1cccc(Br)c1 ZINC000483739246 566399775 /nfs/dbraw/zinc/39/97/75/566399775.db2.gz DFPSCPANQLJZIH-WWGRRREGSA-N 2 2 392.345 3.472 20 0 GGADLP Brc1ccc(OCC[NH2+]C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000536856696 566406536 /nfs/dbraw/zinc/40/65/36/566406536.db2.gz GYOSXDVYQLSRSO-UHFFFAOYSA-N 2 2 376.298 3.482 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000536872496 566407516 /nfs/dbraw/zinc/40/75/16/566407516.db2.gz UUQLDKFKMYZXNH-DYVFJYSZSA-N 2 2 380.330 3.158 20 0 GGADLP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000536872496 566407517 /nfs/dbraw/zinc/40/75/17/566407517.db2.gz UUQLDKFKMYZXNH-DYVFJYSZSA-N 2 2 380.330 3.158 20 0 GGADLP CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474821 566407905 /nfs/dbraw/zinc/40/79/05/566407905.db2.gz SMWZSNZVVNFHDI-OAHLLOKOSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474821 566407913 /nfs/dbraw/zinc/40/79/13/566407913.db2.gz SMWZSNZVVNFHDI-OAHLLOKOSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1c(Cl)cccc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474817 566408361 /nfs/dbraw/zinc/40/83/61/566408361.db2.gz SMWZSNZVVNFHDI-HNNXBMFYSA-N 2 2 384.351 3.163 20 0 GGADLP CN(C(=O)Cc1c(Cl)cccc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474817 566408367 /nfs/dbraw/zinc/40/83/67/566408367.db2.gz SMWZSNZVVNFHDI-HNNXBMFYSA-N 2 2 384.351 3.163 20 0 GGADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566702 566416240 /nfs/dbraw/zinc/41/62/40/566416240.db2.gz VTQIEHZMPYPOLR-IINYFYTJSA-N 2 2 378.685 3.374 20 0 GGADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000447566702 566416245 /nfs/dbraw/zinc/41/62/45/566416245.db2.gz VTQIEHZMPYPOLR-IINYFYTJSA-N 2 2 378.685 3.374 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000577221358 566416300 /nfs/dbraw/zinc/41/63/00/566416300.db2.gz IYTPMOAQXALGPM-KHIZAZIESA-N 2 2 386.323 3.149 20 0 GGADLP Brc1ccc(C[N@@H+](CCc2cccnc2)CCn2cc[nH+]c2)o1 ZINC000510923661 566420889 /nfs/dbraw/zinc/42/08/89/566420889.db2.gz ZWFAJEXAQRTLNO-UHFFFAOYSA-N 2 2 375.270 3.379 20 0 GGADLP Brc1ccc(C[N@H+](CCc2cccnc2)CCn2cc[nH+]c2)o1 ZINC000510923661 566420895 /nfs/dbraw/zinc/42/08/95/566420895.db2.gz ZWFAJEXAQRTLNO-UHFFFAOYSA-N 2 2 375.270 3.379 20 0 GGADLP C[N@@H+]1CCC[C@H]1CCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938658 566421134 /nfs/dbraw/zinc/42/11/34/566421134.db2.gz SPJFMMUOJMYIHI-HNNXBMFYSA-N 2 2 381.318 3.225 20 0 GGADLP C[N@H+]1CCC[C@H]1CCN(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938658 566421135 /nfs/dbraw/zinc/42/11/35/566421135.db2.gz SPJFMMUOJMYIHI-HNNXBMFYSA-N 2 2 381.318 3.225 20 0 GGADLP C[N@@H+]1CCC[C@H]1CC[NH+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938658 566421136 /nfs/dbraw/zinc/42/11/36/566421136.db2.gz SPJFMMUOJMYIHI-HNNXBMFYSA-N 3 2 381.318 3.225 20 0 GGADLP C[N@H+]1CCC[C@H]1CC[NH+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938658 566421137 /nfs/dbraw/zinc/42/11/37/566421137.db2.gz SPJFMMUOJMYIHI-HNNXBMFYSA-N 3 2 381.318 3.225 20 0 GGADLP C[NH+]1CCC[C@H]1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938658 566421138 /nfs/dbraw/zinc/42/11/38/566421138.db2.gz SPJFMMUOJMYIHI-HNNXBMFYSA-N 3 2 381.318 3.225 20 0 GGADLP C[NH+]1CCC[C@H]1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510938658 566421139 /nfs/dbraw/zinc/42/11/39/566421139.db2.gz SPJFMMUOJMYIHI-HNNXBMFYSA-N 3 2 381.318 3.225 20 0 GGADLP COc1cccc(C[N@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000510950859 566422624 /nfs/dbraw/zinc/42/26/24/566422624.db2.gz LMGCIFJDJBOGNX-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP COc1cccc(C[N@@H+](CCn2cc[nH+]c2)Cc2ccc(Br)o2)n1 ZINC000510950859 566422627 /nfs/dbraw/zinc/42/26/27/566422627.db2.gz LMGCIFJDJBOGNX-UHFFFAOYSA-N 2 2 391.269 3.345 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC000422006738 566424736 /nfs/dbraw/zinc/42/47/36/566424736.db2.gz MJXCFLRAJPPMTG-UHFFFAOYSA-N 2 2 394.357 3.081 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cccc(Br)c3)CC2)CC1 ZINC000422006738 566424745 /nfs/dbraw/zinc/42/47/45/566424745.db2.gz MJXCFLRAJPPMTG-UHFFFAOYSA-N 2 2 394.357 3.081 20 0 GGADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC000422012758 566426651 /nfs/dbraw/zinc/42/66/51/566426651.db2.gz WMMHBDMPEOAFSW-UHFFFAOYSA-N 2 2 394.357 3.081 20 0 GGADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ccccc3Br)CC2)CC1 ZINC000422012758 566426658 /nfs/dbraw/zinc/42/66/58/566426658.db2.gz WMMHBDMPEOAFSW-UHFFFAOYSA-N 2 2 394.357 3.081 20 0 GGADLP CN(C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@H]1CCC[N@H+](C)C1 ZINC000464061106 566444314 /nfs/dbraw/zinc/44/43/14/566444314.db2.gz ZHQWVUQARNJRDC-ROUUACIJSA-N 2 2 394.357 3.139 20 0 GGADLP CN(C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[C@H]1CCC[N@@H+](C)C1 ZINC000464061106 566444319 /nfs/dbraw/zinc/44/43/19/566444319.db2.gz ZHQWVUQARNJRDC-ROUUACIJSA-N 2 2 394.357 3.139 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000577603159 566448385 /nfs/dbraw/zinc/44/83/85/566448385.db2.gz GIBZJRWEMZWSGY-OLZOCXBDSA-N 2 2 381.307 3.394 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000577603159 566448392 /nfs/dbraw/zinc/44/83/92/566448392.db2.gz GIBZJRWEMZWSGY-OLZOCXBDSA-N 2 2 381.307 3.394 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000577603160 566448422 /nfs/dbraw/zinc/44/84/22/566448422.db2.gz GIBZJRWEMZWSGY-QWHCGFSZSA-N 2 2 381.307 3.394 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1)c1ccc(Cl)cc1Cl ZINC000577603160 566448428 /nfs/dbraw/zinc/44/84/28/566448428.db2.gz GIBZJRWEMZWSGY-QWHCGFSZSA-N 2 2 381.307 3.394 20 0 GGADLP C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602201145 566452931 /nfs/dbraw/zinc/45/29/31/566452931.db2.gz JGXCWDWYAMKDQO-GDBMZVCRSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602201145 566452932 /nfs/dbraw/zinc/45/29/32/566452932.db2.gz JGXCWDWYAMKDQO-GDBMZVCRSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000602201146 566453712 /nfs/dbraw/zinc/45/37/12/566453712.db2.gz JGXCWDWYAMKDQO-GOEBONIOSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000602201146 566453719 /nfs/dbraw/zinc/45/37/19/566453719.db2.gz JGXCWDWYAMKDQO-GOEBONIOSA-N 2 2 381.973 3.105 20 0 GGADLP C[C@@H]1C[C@H](C)[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000422626055 566459778 /nfs/dbraw/zinc/45/97/78/566459778.db2.gz DEYMPVANTCRNTA-WOPDTQHZSA-N 2 2 375.847 3.185 20 0 GGADLP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000422626055 566459779 /nfs/dbraw/zinc/45/97/79/566459779.db2.gz DEYMPVANTCRNTA-WOPDTQHZSA-N 2 2 375.847 3.185 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000422634566 566459804 /nfs/dbraw/zinc/45/98/04/566459804.db2.gz JVOWROOKQXDEIY-NFAWXSAZSA-N 2 2 393.329 3.228 20 0 GGADLP C[C@@H]1C[C@@H](C)[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@@H]1C[NH3+] ZINC000422634566 566459810 /nfs/dbraw/zinc/45/98/10/566459810.db2.gz JVOWROOKQXDEIY-NFAWXSAZSA-N 2 2 393.329 3.228 20 0 GGADLP O=C(NCCC[NH2+]Cc1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000537654430 566461502 /nfs/dbraw/zinc/46/15/02/566461502.db2.gz NUMPISHIXXERQD-UHFFFAOYSA-N 2 2 387.281 3.007 20 0 GGADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000422738017 566462559 /nfs/dbraw/zinc/46/25/59/566462559.db2.gz YGGJCWRVHPNSLT-YOEHRIQHSA-N 2 2 386.367 3.314 20 0 GGADLP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)C1C[NH2+]C1 ZINC000422789102 566463102 /nfs/dbraw/zinc/46/31/02/566463102.db2.gz AYHOUAKNMRWSIY-BFUOFWGJSA-N 2 2 378.925 3.030 20 0 GGADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000484908694 566463511 /nfs/dbraw/zinc/46/35/11/566463511.db2.gz RECASFDLAATMGO-VHSXEESVSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000484908694 566463516 /nfs/dbraw/zinc/46/35/16/566463516.db2.gz RECASFDLAATMGO-VHSXEESVSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1)C1C[NH2+]C1 ZINC000422789112 566463567 /nfs/dbraw/zinc/46/35/67/566463567.db2.gz AYHOUAKNMRWSIY-YJYMSZOUSA-N 2 2 378.925 3.030 20 0 GGADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000484908690 566463742 /nfs/dbraw/zinc/46/37/42/566463742.db2.gz RECASFDLAATMGO-NXEZZACHSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)C1 ZINC000484908690 566463747 /nfs/dbraw/zinc/46/37/47/566463747.db2.gz RECASFDLAATMGO-NXEZZACHSA-N 2 2 394.235 3.076 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000422930909 566464981 /nfs/dbraw/zinc/46/49/81/566464981.db2.gz ABEUVXZZWVUKQG-DLBZAZTESA-N 2 2 379.551 3.013 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000422930912 566465368 /nfs/dbraw/zinc/46/53/68/566465368.db2.gz ABEUVXZZWVUKQG-SJORKVTESA-N 2 2 379.551 3.013 20 0 GGADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000422876456 566465564 /nfs/dbraw/zinc/46/55/64/566465564.db2.gz FXQRTHOJFGUJSD-GOEBONIOSA-N 2 2 387.351 3.398 20 0 GGADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)s1 ZINC000422931424 566466598 /nfs/dbraw/zinc/46/65/98/566466598.db2.gz BQPHPKLOWRBDDA-HZPDHXFCSA-N 2 2 387.615 3.179 20 0 GGADLP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)c2ccccc21 ZINC000422933719 566466772 /nfs/dbraw/zinc/46/67/72/566466772.db2.gz IIOIMQSDEBLQIN-CVEARBPZSA-N 2 2 375.266 3.455 20 0 GGADLP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)c2ccccc21 ZINC000422933720 566467386 /nfs/dbraw/zinc/46/73/86/566467386.db2.gz IIOIMQSDEBLQIN-HOTGVXAUSA-N 2 2 375.266 3.455 20 0 GGADLP C[C@H](C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1)[NH+]1CCSCC1 ZINC000650680068 566470153 /nfs/dbraw/zinc/47/01/53/566470153.db2.gz MVHSPXHBBQUNAB-MRXNPFEDSA-N 2 2 379.595 3.250 20 0 GGADLP C[C@H]([NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1OCCCO ZINC000423122278 566476728 /nfs/dbraw/zinc/47/67/28/566476728.db2.gz CAJOLXAKGUUPAS-GRDNDAEWSA-N 2 2 385.346 3.392 20 0 GGADLP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000423145362 566478634 /nfs/dbraw/zinc/47/86/34/566478634.db2.gz KKEZOWJEIVCFPX-HNAYVOBHSA-N 2 2 380.941 3.052 20 0 GGADLP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423151852 566478919 /nfs/dbraw/zinc/47/89/19/566478919.db2.gz CZZQIBQFMSQSAG-TVQRCGJNSA-N 2 2 377.124 3.214 20 0 GGADLP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(Br)cncc1Br ZINC000423151296 566479065 /nfs/dbraw/zinc/47/90/65/566479065.db2.gz CKRQYOSCRBHPTD-RNCFNFMXSA-N 2 2 377.124 3.084 20 0 GGADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1ccc(Br)cc1 ZINC000537945354 566480257 /nfs/dbraw/zinc/48/02/57/566480257.db2.gz JUKLLBURLWPUOO-IBGZPJMESA-N 2 2 390.325 3.132 20 0 GGADLP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423258271 566484247 /nfs/dbraw/zinc/48/42/47/566484247.db2.gz BEWADXHLVILJBO-DLBZAZTESA-N 2 2 387.977 3.196 20 0 GGADLP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423258070 566484726 /nfs/dbraw/zinc/48/47/26/566484726.db2.gz AXIAZMNDKHFFNJ-BMIGLBTASA-N 2 2 394.368 3.199 20 0 GGADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423277141 566484768 /nfs/dbraw/zinc/48/47/68/566484768.db2.gz PJSKDHMCQDRIIO-OALUTQOASA-N 2 2 380.941 3.406 20 0 GGADLP CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2([NH3+])CCC2)c2ccc(Cl)cc2)c1 ZINC000423318789 566486568 /nfs/dbraw/zinc/48/65/68/566486568.db2.gz DQQQHVFHJUNABH-SFHVURJKSA-N 2 2 378.925 3.304 20 0 GGADLP Cc1c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)nnn1-c1cccc(Br)c1 ZINC000423330264 566486948 /nfs/dbraw/zinc/48/69/48/566486948.db2.gz NOGMPYWKSLYFSE-SCLBCKFNSA-N 2 2 392.345 3.379 20 0 GGADLP CC[C@@H]([NH2+]C[C@H]1[NH2+]CCCC1(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423396751 566488277 /nfs/dbraw/zinc/48/82/77/566488277.db2.gz UIJSLHLOJZJCNL-NVXWUHKLSA-N 2 2 387.977 3.067 20 0 GGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1cccc(F)c1)c1cccc(Br)c1 ZINC000423509160 566490638 /nfs/dbraw/zinc/49/06/38/566490638.db2.gz ITUKXYRSBNSPDS-RTBURBONSA-N 2 2 392.316 3.171 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(Br)cc1C(F)(F)F ZINC000423527862 566492901 /nfs/dbraw/zinc/49/29/01/566492901.db2.gz WEJQUCNLJDXFEP-CMPLNLGQSA-N 2 2 380.252 3.022 20 0 GGADLP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCc2nc(-c3ccc(Cl)cc3)sc21 ZINC000423529287 566493022 /nfs/dbraw/zinc/49/30/22/566493022.db2.gz XRFTWVYGTSRJGU-CVEARBPZSA-N 2 2 376.957 3.334 20 0 GGADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1C(F)(F)F ZINC000423544773 566493036 /nfs/dbraw/zinc/49/30/36/566493036.db2.gz CJYFYMLAJCCIKY-BXUZGUMPSA-N 2 2 381.236 3.497 20 0 GGADLP C[C@H](CC[NH2+]Cc1ncc(I)s1)[NH+]1CCCCC1 ZINC000511936571 566498099 /nfs/dbraw/zinc/49/80/99/566498099.db2.gz AJOHSUCPIAIIMV-LLVKDONJSA-N 2 2 379.311 3.102 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1 ZINC000511940818 566498552 /nfs/dbraw/zinc/49/85/52/566498552.db2.gz HHUSSAPFLFQPFS-HNNXBMFYSA-N 2 2 399.347 3.407 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+]Cc2cc(Br)cc3c2OCC3)s1 ZINC000511955893 566500452 /nfs/dbraw/zinc/50/04/52/566500452.db2.gz QLWFLPBVBRJPMQ-UHFFFAOYSA-N 2 2 382.327 3.192 20 0 GGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000558728807 566501796 /nfs/dbraw/zinc/50/17/96/566501796.db2.gz GZAQPYQGUUOURR-HNAYVOBHSA-N 2 2 390.325 3.132 20 0 GGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000558728807 566501800 /nfs/dbraw/zinc/50/18/00/566501800.db2.gz GZAQPYQGUUOURR-HNAYVOBHSA-N 2 2 390.325 3.132 20 0 GGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000558728809 566501967 /nfs/dbraw/zinc/50/19/67/566501967.db2.gz GZAQPYQGUUOURR-KXBFYZLASA-N 2 2 390.325 3.132 20 0 GGADLP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(Br)cn1 ZINC000558728809 566501970 /nfs/dbraw/zinc/50/19/70/566501970.db2.gz GZAQPYQGUUOURR-KXBFYZLASA-N 2 2 390.325 3.132 20 0 GGADLP Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)c(-n2cc(Cl)cn2)n1 ZINC000511985679 566503090 /nfs/dbraw/zinc/50/30/90/566503090.db2.gz BGJDDSVOFVLTQN-UHFFFAOYSA-N 2 2 376.917 3.037 20 0 GGADLP COC1CC[NH+](CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000651244736 566504606 /nfs/dbraw/zinc/50/46/06/566504606.db2.gz XZAJBUXHMLINGW-IBGZPJMESA-N 2 2 381.358 3.471 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+]CCc2nc(-c3cccc(Cl)c3)no2)s1 ZINC000512056929 566510786 /nfs/dbraw/zinc/51/07/86/566510786.db2.gz IIQUBWJHLSJZLR-UHFFFAOYSA-N 2 2 377.901 3.240 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000512110081 566513282 /nfs/dbraw/zinc/51/32/82/566513282.db2.gz YUXIBWJBHWHYCM-LLVKDONJSA-N 2 2 390.336 3.041 20 0 GGADLP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)s1 ZINC000512110082 566513661 /nfs/dbraw/zinc/51/36/61/566513661.db2.gz YUXIBWJBHWHYCM-NSHDSACASA-N 2 2 390.336 3.041 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485798413 566527791 /nfs/dbraw/zinc/52/77/91/566527791.db2.gz NWROOJDKXUGGMS-XJKSGUPXSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000485798413 566527798 /nfs/dbraw/zinc/52/77/98/566527798.db2.gz NWROOJDKXUGGMS-XJKSGUPXSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000485798413 566527800 /nfs/dbraw/zinc/52/78/00/566527800.db2.gz NWROOJDKXUGGMS-XJKSGUPXSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c2cc(Br)ccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000485798413 566527805 /nfs/dbraw/zinc/52/78/05/566527805.db2.gz NWROOJDKXUGGMS-XJKSGUPXSA-N 2 2 377.330 3.252 20 0 GGADLP Cn1c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc2ccc(Br)cc21 ZINC000485811897 566529538 /nfs/dbraw/zinc/52/95/38/566529538.db2.gz IVXAGYSXZTUKKD-HNNXBMFYSA-N 2 2 387.281 3.384 20 0 GGADLP Cn1c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)nc2ccc(Br)cc21 ZINC000485811897 566529544 /nfs/dbraw/zinc/52/95/44/566529544.db2.gz IVXAGYSXZTUKKD-HNNXBMFYSA-N 2 2 387.281 3.384 20 0 GGADLP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])nnn1-c1cccc(Br)c1 ZINC000424372510 566531182 /nfs/dbraw/zinc/53/11/82/566531182.db2.gz HYCYEVPCCOOQMU-IUIKQTSFSA-N 2 2 378.318 3.259 20 0 GGADLP C[N@H+](CC1CC1)C[C@H]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000538750206 566533722 /nfs/dbraw/zinc/53/37/22/566533722.db2.gz KTAFMOFZSKTFKV-OAHLLOKOSA-N 2 2 377.330 3.261 20 0 GGADLP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C1 ZINC000538750206 566533730 /nfs/dbraw/zinc/53/37/30/566533730.db2.gz KTAFMOFZSKTFKV-OAHLLOKOSA-N 2 2 377.330 3.261 20 0 GGADLP CSCc1cnc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000559233237 566534604 /nfs/dbraw/zinc/53/46/04/566534604.db2.gz OAQMUTNSWZDDNX-HNNXBMFYSA-N 2 2 382.624 3.146 20 0 GGADLP Cc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ncc1Br ZINC000628159216 566535759 /nfs/dbraw/zinc/53/57/59/566535759.db2.gz KEYLCXWHPSDMFY-UHFFFAOYSA-N 2 2 382.346 3.087 20 0 GGADLP CC[NH+](CC)CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000559257889 566536254 /nfs/dbraw/zinc/53/62/54/566536254.db2.gz MVAFDMMIGSXMRX-UHFFFAOYSA-N 2 2 393.329 3.016 20 0 GGADLP Cc1cc(Br)c(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1Cl ZINC000449244004 566541100 /nfs/dbraw/zinc/54/11/00/566541100.db2.gz OVOVQGNIOXVXHA-UHFFFAOYSA-N 2 2 375.738 3.347 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312889 566541303 /nfs/dbraw/zinc/54/13/03/566541303.db2.gz WPZLQUHFQOIAGE-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000559312889 566541307 /nfs/dbraw/zinc/54/13/07/566541307.db2.gz WPZLQUHFQOIAGE-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000559312889 566541311 /nfs/dbraw/zinc/54/13/11/566541311.db2.gz WPZLQUHFQOIAGE-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000559312889 566541315 /nfs/dbraw/zinc/54/13/15/566541315.db2.gz WPZLQUHFQOIAGE-KSSFIOAISA-N 2 2 380.330 3.194 20 0 GGADLP Cc1[nH]c(CN(CCn2cc[nH+]c2)Cc2ccc(Br)o2)[nH+]c1C ZINC000628280038 566542556 /nfs/dbraw/zinc/54/25/56/566542556.db2.gz MKIPQYQDHARBOD-UHFFFAOYSA-N 2 2 378.274 3.281 20 0 GGADLP Cc1cc(Br)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000449323908 566548394 /nfs/dbraw/zinc/54/83/94/566548394.db2.gz BOLYABYLVMLDLV-UHFFFAOYSA-N 2 2 388.781 3.480 20 0 GGADLP Cc1cc(Br)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000449323908 566548399 /nfs/dbraw/zinc/54/83/99/566548399.db2.gz BOLYABYLVMLDLV-UHFFFAOYSA-N 2 2 388.781 3.480 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000512674067 566549043 /nfs/dbraw/zinc/54/90/43/566549043.db2.gz SSSTXZWLHIWNRC-CALCHBBNSA-N 2 2 380.374 3.440 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000512674067 566549051 /nfs/dbraw/zinc/54/90/51/566549051.db2.gz SSSTXZWLHIWNRC-CALCHBBNSA-N 2 2 380.374 3.440 20 0 GGADLP CN1CC[NH+](CC2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)CC1 ZINC000449326281 566549954 /nfs/dbraw/zinc/54/99/54/566549954.db2.gz UKPHXHFXEALOKB-UHFFFAOYSA-N 2 2 384.337 3.048 20 0 GGADLP COc1ccc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C(C)C)c(Br)c1 ZINC000578822047 566557053 /nfs/dbraw/zinc/55/70/53/566557053.db2.gz REOITEAUIJVNEP-KBXCAEBGSA-N 2 2 385.346 3.201 20 0 GGADLP COc1ccc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C(C)C)c(Br)c1 ZINC000578822049 566557619 /nfs/dbraw/zinc/55/76/19/566557619.db2.gz REOITEAUIJVNEP-KSSFIOAISA-N 2 2 385.346 3.201 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539091912 566558122 /nfs/dbraw/zinc/55/81/22/566558122.db2.gz SQRKWXBTQQUNHX-SPYBWZPUSA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539091912 566558124 /nfs/dbraw/zinc/55/81/24/566558124.db2.gz SQRKWXBTQQUNHX-SPYBWZPUSA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539091911 566558708 /nfs/dbraw/zinc/55/87/08/566558708.db2.gz SQRKWXBTQQUNHX-CLCXKQKWSA-N 2 2 378.358 3.348 20 0 GGADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539091911 566558714 /nfs/dbraw/zinc/55/87/14/566558714.db2.gz SQRKWXBTQQUNHX-CLCXKQKWSA-N 2 2 378.358 3.348 20 0 GGADLP C[NH+](C)CC(C)(C)CNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000466344232 566567246 /nfs/dbraw/zinc/56/72/46/566567246.db2.gz UFDUFSVKUPKLKS-QGZVFWFLSA-N 2 2 396.373 3.290 20 0 GGADLP O=C(NCC[NH+]1CCCCC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000466341894 566568022 /nfs/dbraw/zinc/56/80/22/566568022.db2.gz AVIOIGYOWXKBQT-GOSISDBHSA-N 2 2 394.357 3.188 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]([C@@H](CO)C3CC3)C3CC3)c[nH+]c12 ZINC000449500721 566569489 /nfs/dbraw/zinc/56/94/89/566569489.db2.gz DVCOICKIIUMXAP-DLBZAZTESA-N 2 2 378.314 3.292 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H]1C[N@H+](C)CCN1C ZINC000539318714 566573759 /nfs/dbraw/zinc/57/37/59/566573759.db2.gz SAQCVGUFHNXTTA-IFIJOSMWSA-N 2 2 384.387 3.067 20 0 GGADLP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H]1C[N@@H+](C)CCN1C ZINC000539318714 566573764 /nfs/dbraw/zinc/57/37/64/566573764.db2.gz SAQCVGUFHNXTTA-IFIJOSMWSA-N 2 2 384.387 3.067 20 0 GGADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1Br ZINC000449603260 566581428 /nfs/dbraw/zinc/58/14/28/566581428.db2.gz VQLLIEXBSRHXEY-BHYGNILZSA-N 2 2 381.358 3.123 20 0 GGADLP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1Br ZINC000449603260 566581437 /nfs/dbraw/zinc/58/14/37/566581437.db2.gz VQLLIEXBSRHXEY-BHYGNILZSA-N 2 2 381.358 3.123 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000539494216 566582694 /nfs/dbraw/zinc/58/26/94/566582694.db2.gz BTBKSLVEEKVHQI-SWLSCSKDSA-N 2 2 394.313 3.186 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)c1cc2cc(Br)ccc2o1 ZINC000539494216 566582702 /nfs/dbraw/zinc/58/27/02/566582702.db2.gz BTBKSLVEEKVHQI-SWLSCSKDSA-N 2 2 394.313 3.186 20 0 GGADLP Ic1cccc(C[NH2+]CCc2cn3ccccc3[nH+]2)c1 ZINC000560068897 566594594 /nfs/dbraw/zinc/59/45/94/566594594.db2.gz HKJIQIQNVRXBNE-UHFFFAOYSA-N 2 2 377.229 3.271 20 0 GGADLP C[NH+](C)[C@@]1(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CCSC1 ZINC000513326306 566595716 /nfs/dbraw/zinc/59/57/16/566595716.db2.gz OYIGWXPUJXCXIP-LJQANCHMSA-N 2 2 385.980 3.470 20 0 GGADLP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000579351442 566601577 /nfs/dbraw/zinc/60/15/77/566601577.db2.gz WPSUXJQUAMDLFB-KDOFPFPSSA-N 2 2 394.357 3.172 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345533 566603246 /nfs/dbraw/zinc/60/32/46/566603246.db2.gz DLGFVQKJOJZBLL-IOASZLSFSA-N 2 2 386.323 3.150 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345533 566603253 /nfs/dbraw/zinc/60/32/53/566603253.db2.gz DLGFVQKJOJZBLL-IOASZLSFSA-N 2 2 386.323 3.150 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345536 566603967 /nfs/dbraw/zinc/60/39/67/566603967.db2.gz DLGFVQKJOJZBLL-ZENOOKHLSA-N 2 2 386.323 3.150 20 0 GGADLP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000652345536 566603970 /nfs/dbraw/zinc/60/39/70/566603970.db2.gz DLGFVQKJOJZBLL-ZENOOKHLSA-N 2 2 386.323 3.150 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000652361140 566604561 /nfs/dbraw/zinc/60/45/61/566604561.db2.gz YTBZUDVBHBFMRE-XOKHGSTOSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000652361140 566604566 /nfs/dbraw/zinc/60/45/66/566604566.db2.gz YTBZUDVBHBFMRE-XOKHGSTOSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000652350385 566604688 /nfs/dbraw/zinc/60/46/88/566604688.db2.gz WOCIJKLQXTYTKH-ZBEGNZNMSA-N 2 2 375.822 3.358 20 0 GGADLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C2 ZINC000652350385 566604692 /nfs/dbraw/zinc/60/46/92/566604692.db2.gz WOCIJKLQXTYTKH-ZBEGNZNMSA-N 2 2 375.822 3.358 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000652361122 566605869 /nfs/dbraw/zinc/60/58/69/566605869.db2.gz YLXMWTNZRPBPBI-KBRIMQKVSA-N 2 2 386.323 3.293 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2cc(Cl)ccc2Cl)C1 ZINC000652361122 566605873 /nfs/dbraw/zinc/60/58/73/566605873.db2.gz YLXMWTNZRPBPBI-KBRIMQKVSA-N 2 2 386.323 3.293 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000539850512 566609191 /nfs/dbraw/zinc/60/91/91/566609191.db2.gz MVINOTRTTXINRY-ZDUSSCGKSA-N 2 2 391.375 3.452 20 0 GGADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Br)c(OC)s2)C1 ZINC000539850512 566609195 /nfs/dbraw/zinc/60/91/95/566609195.db2.gz MVINOTRTTXINRY-ZDUSSCGKSA-N 2 2 391.375 3.452 20 0 GGADLP [NH3+]CC[N@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1 ZINC000466989912 566613789 /nfs/dbraw/zinc/61/37/89/566613789.db2.gz QXHRCZMWKORMKN-UHFFFAOYSA-N 2 2 394.288 3.378 20 0 GGADLP [NH3+]CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1ccccc1 ZINC000466989912 566613794 /nfs/dbraw/zinc/61/37/94/566613794.db2.gz QXHRCZMWKORMKN-UHFFFAOYSA-N 2 2 394.288 3.378 20 0 GGADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000579608842 566624874 /nfs/dbraw/zinc/62/48/74/566624874.db2.gz DWLIPCONWJNJGU-NXEZZACHSA-N 2 2 394.235 3.218 20 0 GGADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000579608842 566624878 /nfs/dbraw/zinc/62/48/78/566624878.db2.gz DWLIPCONWJNJGU-NXEZZACHSA-N 2 2 394.235 3.218 20 0 GGADLP O=C(NCCC[NH+]1CCCC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000467303020 566640288 /nfs/dbraw/zinc/64/02/88/566640288.db2.gz QSNJZUSNTDVODC-GOSISDBHSA-N 2 2 394.357 3.188 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 ZINC000653059858 566648383 /nfs/dbraw/zinc/64/83/83/566648383.db2.gz PWWSKJZTKDPOHV-CQSZACIVSA-N 2 2 387.336 3.258 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCCC1 ZINC000653094513 566651081 /nfs/dbraw/zinc/65/10/81/566651081.db2.gz IDJOVTDCSMAHTI-QGZVFWFLSA-N 2 2 396.373 3.046 20 0 GGADLP Cc1sc([C@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc1-c1ccc(Cl)cc1 ZINC000653099017 566651113 /nfs/dbraw/zinc/65/11/13/566651113.db2.gz BQRKMVFWUUHYSK-NHYWBVRUSA-N 2 2 380.945 3.228 20 0 GGADLP C[NH+](C)CC[C@H]([NH3+])C(=O)NC1(c2cccc(Br)c2)CCCCC1 ZINC000653098530 566651384 /nfs/dbraw/zinc/65/13/84/566651384.db2.gz PUTFZLNMFRCKNO-INIZCTEOSA-N 2 2 382.346 3.004 20 0 GGADLP Cc1sc([C@@H](C)NC(=O)[C@@H]([NH3+])CC[NH+](C)C)nc1-c1ccc(Cl)cc1 ZINC000653099015 566651413 /nfs/dbraw/zinc/65/14/13/566651413.db2.gz BQRKMVFWUUHYSK-ABAIWWIYSA-N 2 2 380.945 3.228 20 0 GGADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3c(Cl)cccc3Cl)CC2)C1 ZINC000579934790 566652844 /nfs/dbraw/zinc/65/28/44/566652844.db2.gz VGDBIYKZMVPJHZ-XJKSGUPXSA-N 2 2 386.323 3.150 20 0 GGADLP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000487164318 566652909 /nfs/dbraw/zinc/65/29/09/566652909.db2.gz LRMRHXBHUZPXAO-INIZCTEOSA-N 2 2 375.314 3.279 20 0 GGADLP C[NH+](C)CC[C@@H]([NH3+])C(=O)Nc1cccc(Oc2ccc(Br)cc2)c1 ZINC000653167943 566653902 /nfs/dbraw/zinc/65/39/02/566653902.db2.gz JVPWEVDYUFJIIN-QGZVFWFLSA-N 2 2 392.297 3.459 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000540594910 566658846 /nfs/dbraw/zinc/65/88/46/566658846.db2.gz JBEFFUBQQYIMGK-CABCVRRESA-N 2 2 385.346 3.201 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(Br)c1 ZINC000540594912 566658944 /nfs/dbraw/zinc/65/89/44/566658944.db2.gz JBEFFUBQQYIMGK-HUUCEWRRSA-N 2 2 385.346 3.201 20 0 GGADLP C[N@H+](CCCO)C1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450340478 566660525 /nfs/dbraw/zinc/66/05/25/566660525.db2.gz VPCNVNPWEHOOIX-UHFFFAOYSA-N 2 2 396.304 3.419 20 0 GGADLP C[N@@H+](CCCO)C1CCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450340478 566660529 /nfs/dbraw/zinc/66/05/29/566660529.db2.gz VPCNVNPWEHOOIX-UHFFFAOYSA-N 2 2 396.304 3.419 20 0 GGADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2Cl)s1 ZINC000675782029 566663506 /nfs/dbraw/zinc/66/35/06/566663506.db2.gz KPJAQVDTCNIHQP-CQSZACIVSA-N 2 2 377.941 3.493 20 0 GGADLP Fc1cc2[nH+]ccc(N3CC[NH+](C[C@H]4CCOC4)CC3)c2cc1Br ZINC000450370184 566664035 /nfs/dbraw/zinc/66/40/35/566664035.db2.gz WIOJZZLKHMYJQB-CYBMUJFWSA-N 2 2 394.288 3.295 20 0 GGADLP CCSc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000629531332 566664209 /nfs/dbraw/zinc/66/42/09/566664209.db2.gz HPNICNQFDKIHSE-OAHLLOKOSA-N 2 2 384.387 3.041 20 0 GGADLP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000629561637 566665675 /nfs/dbraw/zinc/66/56/75/566665675.db2.gz IWZOKIVMSHPVPT-VXGBXAGGSA-N 2 2 381.236 3.287 20 0 GGADLP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2Br)CC[C@H]1C(F)(F)F ZINC000629561637 566665682 /nfs/dbraw/zinc/66/56/82/566665682.db2.gz IWZOKIVMSHPVPT-VXGBXAGGSA-N 2 2 381.236 3.287 20 0 GGADLP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000629561635 566665842 /nfs/dbraw/zinc/66/58/42/566665842.db2.gz IWZOKIVMSHPVPT-RYUDHWBXSA-N 2 2 381.236 3.287 20 0 GGADLP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2Br)CC[C@@H]1C(F)(F)F ZINC000629561635 566665850 /nfs/dbraw/zinc/66/58/50/566665850.db2.gz IWZOKIVMSHPVPT-RYUDHWBXSA-N 2 2 381.236 3.287 20 0 GGADLP COc1ccc(Br)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629562044 566666316 /nfs/dbraw/zinc/66/63/16/566666316.db2.gz LGVFHSILRMMZKS-DGCLKSJQSA-N 2 2 381.236 3.417 20 0 GGADLP COc1ccc(Br)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629562044 566666321 /nfs/dbraw/zinc/66/63/21/566666321.db2.gz LGVFHSILRMMZKS-DGCLKSJQSA-N 2 2 381.236 3.417 20 0 GGADLP CC[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000675885650 566668470 /nfs/dbraw/zinc/66/84/70/566668470.db2.gz FXQVFSJMNLLZQA-LPHOPBHVSA-N 2 2 386.367 3.441 20 0 GGADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(F)c(Cl)cc1Cl ZINC000675886879 566669376 /nfs/dbraw/zinc/66/93/76/566669376.db2.gz WMQBTQQXVCZUTR-KGLIPLIRSA-N 2 2 390.330 3.190 20 0 GGADLP CC[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Cl)cc1Cl ZINC000675885652 566669393 /nfs/dbraw/zinc/66/93/93/566669393.db2.gz FXQVFSJMNLLZQA-VQIMIIECSA-N 2 2 386.367 3.441 20 0 GGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000514807051 566671707 /nfs/dbraw/zinc/67/17/07/566671707.db2.gz SUQMZMLGXQAAMW-UKRRQHHQSA-N 2 2 376.298 3.297 20 0 GGADLP C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000514807049 566672111 /nfs/dbraw/zinc/67/21/11/566672111.db2.gz SUQMZMLGXQAAMW-DZGCQCFKSA-N 2 2 376.298 3.297 20 0 GGADLP C[C@H](CO)[N@@H+]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450473135 566674549 /nfs/dbraw/zinc/67/45/49/566674549.db2.gz GUCQBUKMAGBLNI-GFCCVEGCSA-N 2 2 382.277 3.029 20 0 GGADLP C[C@H](CO)[N@H+]1CCCN(c2cc[nH+]c3cc(F)c(Br)cc32)CC1 ZINC000450473135 566674556 /nfs/dbraw/zinc/67/45/56/566674556.db2.gz GUCQBUKMAGBLNI-GFCCVEGCSA-N 2 2 382.277 3.029 20 0 GGADLP [NH3+]C[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[C@@H]1C(F)(F)F ZINC000629655454 566677435 /nfs/dbraw/zinc/67/74/35/566677435.db2.gz KYPGRRQHDXNYMZ-MFKMUULPSA-N 2 2 391.235 3.056 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000467985863 566678096 /nfs/dbraw/zinc/67/80/96/566678096.db2.gz VHILTNUNAPHCJE-HNNXBMFYSA-N 2 2 384.615 3.389 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000467985863 566678105 /nfs/dbraw/zinc/67/81/05/566678105.db2.gz VHILTNUNAPHCJE-HNNXBMFYSA-N 2 2 384.615 3.389 20 0 GGADLP O[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1ccc(Cl)cc1Cl ZINC000514932664 566679883 /nfs/dbraw/zinc/67/98/83/566679883.db2.gz ZVUCKRWQMDCODK-HNNXBMFYSA-N 2 2 380.275 3.213 20 0 GGADLP Brc1cc2c(c(C[NH2+]Cc3cc(C4CC[NH2+]CC4)no3)c1)OCC2 ZINC000425893616 566681229 /nfs/dbraw/zinc/68/12/29/566681229.db2.gz DEAZFGKYVFRKGG-UHFFFAOYSA-N 2 2 392.297 3.129 20 0 GGADLP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000653617041 566681323 /nfs/dbraw/zinc/68/13/23/566681323.db2.gz UBAGMKOWXDMTJM-KGLIPLIRSA-N 2 2 383.252 3.345 20 0 GGADLP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CC(F)(F)F)c1ccc(Br)cc1 ZINC000653617041 566681331 /nfs/dbraw/zinc/68/13/31/566681331.db2.gz UBAGMKOWXDMTJM-KGLIPLIRSA-N 2 2 383.252 3.345 20 0 GGADLP O=C1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCN1c1cccc(Br)c1 ZINC000515052897 566688279 /nfs/dbraw/zinc/68/82/79/566688279.db2.gz NJPZLDSOVPXUGW-SFHVURJKSA-N 2 2 392.341 3.018 20 0 GGADLP O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cc[nH+]c3c(Br)cccc23)CC1 ZINC000608014251 566691188 /nfs/dbraw/zinc/69/11/88/566691188.db2.gz WWJYEEMCYHSCFJ-DLBZAZTESA-N 2 2 376.298 3.033 20 0 GGADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1ccccc1Cl ZINC000487911752 566695517 /nfs/dbraw/zinc/69/55/17/566695517.db2.gz FBNPHJAVURTMKR-OAHLLOKOSA-N 2 2 377.941 3.397 20 0 GGADLP C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc[nH+]c2c(Br)cccc12 ZINC000561356686 566698096 /nfs/dbraw/zinc/69/80/96/566698096.db2.gz XZUBHNHVYCCVKX-ZIAGYGMSSA-N 2 2 376.298 3.297 20 0 GGADLP Brc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)o1 ZINC000676477775 566698660 /nfs/dbraw/zinc/69/86/60/566698660.db2.gz KNFVIXPPSFNPPF-NSHDSACASA-N 2 2 378.230 3.126 20 0 GGADLP Brc1ccc(-c2nnc(C[N@H+]3CCC[C@H](n4cc[nH+]c4)C3)o2)o1 ZINC000676477775 566698665 /nfs/dbraw/zinc/69/86/65/566698665.db2.gz KNFVIXPPSFNPPF-NSHDSACASA-N 2 2 378.230 3.126 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC[NH+]1CCC(C)CC1 ZINC000541211605 566703542 /nfs/dbraw/zinc/70/35/42/566703542.db2.gz AQIWAQJJBPSXPJ-OAHLLOKOSA-N 2 2 382.346 3.488 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000580559677 566703892 /nfs/dbraw/zinc/70/38/92/566703892.db2.gz UQPHKCGZNQBJAV-ZTFGCOKTSA-N 2 2 394.357 3.042 20 0 GGADLP C[NH+](C)CC[C@H]([NH2+]Cc1cn(-c2ccccc2Br)nn1)C(C)(C)C ZINC000580604550 566707250 /nfs/dbraw/zinc/70/72/50/566707250.db2.gz WXJFFOGHGVKXHZ-KRWDZBQOSA-N 2 2 394.361 3.486 20 0 GGADLP Brc1cnc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000541254698 566707867 /nfs/dbraw/zinc/70/78/67/566707867.db2.gz GXTOGZCBZHSTMC-UHFFFAOYSA-N 2 2 388.375 3.230 20 0 GGADLP C[C@H]1CN(C(=O)Cc2cccc(Cl)c2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000468826047 566734331 /nfs/dbraw/zinc/73/43/31/566734331.db2.gz DDFMEHWUHYSDGJ-AWEZNQCLSA-N 2 2 384.351 3.163 20 0 GGADLP C[C@H]1CN(C(=O)Cc2cccc(Cl)c2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000468826047 566734335 /nfs/dbraw/zinc/73/43/35/566734335.db2.gz DDFMEHWUHYSDGJ-AWEZNQCLSA-N 2 2 384.351 3.163 20 0 GGADLP C[C@@H]1CN(C(=O)Cc2cccc(Cl)c2Cl)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000468826191 566734696 /nfs/dbraw/zinc/73/46/96/566734696.db2.gz DDFMEHWUHYSDGJ-CQSZACIVSA-N 2 2 384.351 3.163 20 0 GGADLP C[C@@H]1CN(C(=O)Cc2cccc(Cl)c2Cl)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000468826191 566734704 /nfs/dbraw/zinc/73/47/04/566734704.db2.gz DDFMEHWUHYSDGJ-CQSZACIVSA-N 2 2 384.351 3.163 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427115599 566748675 /nfs/dbraw/zinc/74/86/75/566748675.db2.gz VEFQFCLYJXTWID-WMLDXEAASA-N 2 2 383.330 3.048 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427115599 566748682 /nfs/dbraw/zinc/74/86/82/566748682.db2.gz VEFQFCLYJXTWID-WMLDXEAASA-N 2 2 383.330 3.048 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561959872 566752011 /nfs/dbraw/zinc/75/20/11/566752011.db2.gz HTOIBQGVFUKSQW-RDJZCZTQSA-N 2 2 378.563 3.152 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561959872 566752019 /nfs/dbraw/zinc/75/20/19/566752019.db2.gz HTOIBQGVFUKSQW-RDJZCZTQSA-N 2 2 378.563 3.152 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000654775565 566753352 /nfs/dbraw/zinc/75/33/52/566753352.db2.gz OYZYOVKNNYTUSG-CQSZACIVSA-N 2 2 384.351 3.211 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3c(Cl)cccc3Cl)C2)CC1 ZINC000654775565 566753356 /nfs/dbraw/zinc/75/33/56/566753356.db2.gz OYZYOVKNNYTUSG-CQSZACIVSA-N 2 2 384.351 3.211 20 0 GGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561981996 566754517 /nfs/dbraw/zinc/75/45/17/566754517.db2.gz CVBYAZZAUGKNCD-BBRMVZONSA-N 2 2 380.323 3.490 20 0 GGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561981996 566754527 /nfs/dbraw/zinc/75/45/27/566754527.db2.gz CVBYAZZAUGKNCD-BBRMVZONSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561981996 566754532 /nfs/dbraw/zinc/75/45/32/566754532.db2.gz CVBYAZZAUGKNCD-BBRMVZONSA-N 2 2 380.323 3.490 20 0 GGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000561981996 566754541 /nfs/dbraw/zinc/75/45/41/566754541.db2.gz CVBYAZZAUGKNCD-BBRMVZONSA-N 2 2 380.323 3.490 20 0 GGADLP COc1cc(Br)c(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1O ZINC000561973904 566754822 /nfs/dbraw/zinc/75/48/22/566754822.db2.gz IPWDOVJVIKZPKJ-UHFFFAOYSA-N 2 2 389.253 3.415 20 0 GGADLP C[N@H+](C[C@@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000562040379 566758916 /nfs/dbraw/zinc/75/89/16/566758916.db2.gz KIQSTJDIUIBWOV-MRXNPFEDSA-N 2 2 387.351 3.430 20 0 GGADLP C[N@@H+](C[C@@H](O)C[NH+]1CCC(OCc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000562040379 566758920 /nfs/dbraw/zinc/75/89/20/566758920.db2.gz KIQSTJDIUIBWOV-MRXNPFEDSA-N 2 2 387.351 3.430 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000451124618 566763128 /nfs/dbraw/zinc/76/31/28/566763128.db2.gz XXJFNJXRWUGGMD-UHFFFAOYSA-N 2 2 398.364 3.362 20 0 GGADLP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(F)ccc(Br)c3C2)CC1 ZINC000451124618 566763130 /nfs/dbraw/zinc/76/31/30/566763130.db2.gz XXJFNJXRWUGGMD-UHFFFAOYSA-N 2 2 398.364 3.362 20 0 GGADLP CCc1ccc([C@@H](C[NH2+][C@H](C)Cn2cc(Br)cn2)[NH+](C)C)cc1 ZINC000469118980 566763451 /nfs/dbraw/zinc/76/34/51/566763451.db2.gz UKQMIJCLRSOLRE-RDTXWAMCSA-N 2 2 379.346 3.489 20 0 GGADLP CN(Cc1ccc(F)cc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000677801390 566764412 /nfs/dbraw/zinc/76/44/12/566764412.db2.gz NCKGSJMJDUBPOG-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1ccc(F)cc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000677801390 566764415 /nfs/dbraw/zinc/76/44/15/566764415.db2.gz NCKGSJMJDUBPOG-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[NH+]1CC(C)C1 ZINC000654995739 566770551 /nfs/dbraw/zinc/77/05/51/566770551.db2.gz AODUSZNCNRWIAX-CQSZACIVSA-N 2 2 384.351 3.414 20 0 GGADLP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccncc3Br)c2)CCO1 ZINC000631051752 566773306 /nfs/dbraw/zinc/77/33/06/566773306.db2.gz BYKBCHCVLPXPQP-OAHLLOKOSA-N 2 2 390.325 3.355 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccncc3Br)c2)CCO1 ZINC000631051752 566773312 /nfs/dbraw/zinc/77/33/12/566773312.db2.gz BYKBCHCVLPXPQP-OAHLLOKOSA-N 2 2 390.325 3.355 20 0 GGADLP C[N@H+](CCSc1ccnc2cc(Cl)ccc21)C1CC[NH+](CCO)CC1 ZINC000489253221 566777128 /nfs/dbraw/zinc/77/71/28/566777128.db2.gz XQFLLDJJZFSLMJ-UHFFFAOYSA-N 2 2 379.957 3.369 20 0 GGADLP C[N@@H+](CCSc1ccnc2cc(Cl)ccc21)C1CC[NH+](CCO)CC1 ZINC000489253221 566777130 /nfs/dbraw/zinc/77/71/30/566777130.db2.gz XQFLLDJJZFSLMJ-UHFFFAOYSA-N 2 2 379.957 3.369 20 0 GGADLP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000581436966 566779069 /nfs/dbraw/zinc/77/90/69/566779069.db2.gz PNGXTZMXQWFRDW-RBUKOAKNSA-N 2 2 392.341 3.030 20 0 GGADLP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000581436966 566779076 /nfs/dbraw/zinc/77/90/76/566779076.db2.gz PNGXTZMXQWFRDW-RBUKOAKNSA-N 2 2 392.341 3.030 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(F)c3Br)C2)CC1 ZINC000516847785 566787367 /nfs/dbraw/zinc/78/73/67/566787367.db2.gz KKDBWYNRFQVIDF-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(F)c3Br)C2)CC1 ZINC000516847785 566787376 /nfs/dbraw/zinc/78/73/76/566787376.db2.gz KKDBWYNRFQVIDF-INIZCTEOSA-N 2 2 384.337 3.189 20 0 GGADLP C[C@@H](CCCC[NH3+])NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000516926864 566792934 /nfs/dbraw/zinc/79/29/34/566792934.db2.gz ZXOPAYZZSDDFJY-WMLDXEAASA-N 2 2 382.346 3.220 20 0 GGADLP CS[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000451319868 566795795 /nfs/dbraw/zinc/79/57/95/566795795.db2.gz JBMIBVFATCIYLI-YJBOKZPZSA-N 2 2 381.973 3.030 20 0 GGADLP CS[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000451319868 566795798 /nfs/dbraw/zinc/79/57/98/566795798.db2.gz JBMIBVFATCIYLI-YJBOKZPZSA-N 2 2 381.973 3.030 20 0 GGADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(Br)cc1SC(C)C ZINC000469563880 566799692 /nfs/dbraw/zinc/79/96/92/566799692.db2.gz OYLADCMNOUCMNJ-UHFFFAOYSA-N 2 2 375.376 3.353 20 0 GGADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(Br)cc1SC(C)C ZINC000469563880 566799699 /nfs/dbraw/zinc/79/96/99/566799699.db2.gz OYLADCMNOUCMNJ-UHFFFAOYSA-N 2 2 375.376 3.353 20 0 GGADLP O[C@@H](C[NH2+]CCc1cn2ccccc2[nH+]1)COc1cc(Cl)ccc1Cl ZINC000581721311 566802704 /nfs/dbraw/zinc/80/27/04/566802704.db2.gz OZBYGFXGKSEKMA-HNNXBMFYSA-N 2 2 380.275 3.213 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000489802058 566811565 /nfs/dbraw/zinc/81/15/65/566811565.db2.gz QHSARGQFKDBGBA-RKVPGOIHSA-N 2 2 377.330 3.287 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000489802058 566811569 /nfs/dbraw/zinc/81/15/69/566811569.db2.gz QHSARGQFKDBGBA-RKVPGOIHSA-N 2 2 377.330 3.287 20 0 GGADLP CN(Cc1cc(Br)ccc1F)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000678719058 566813577 /nfs/dbraw/zinc/81/35/77/566813577.db2.gz HAJCMWRJKDPEEC-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP CN(Cc1cc(Br)ccc1F)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000678719058 566813583 /nfs/dbraw/zinc/81/35/83/566813583.db2.gz HAJCMWRJKDPEEC-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@H+](Cc1cc(Br)ccc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719058 566813588 /nfs/dbraw/zinc/81/35/88/566813588.db2.gz HAJCMWRJKDPEEC-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP C[N@@H+](Cc1cc(Br)ccc1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678719058 566813592 /nfs/dbraw/zinc/81/35/92/566813592.db2.gz HAJCMWRJKDPEEC-QGZVFWFLSA-N 2 2 384.337 3.189 20 0 GGADLP COc1c(Br)cc(Br)cc1C[NH+]1CCC(C[NH3+])CC1 ZINC000469832448 566818301 /nfs/dbraw/zinc/81/83/01/566818301.db2.gz SSDRLPUOIMQIMN-UHFFFAOYSA-N 2 2 392.135 3.391 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000469880450 566823089 /nfs/dbraw/zinc/82/30/89/566823089.db2.gz QRQXIBQUHBXRJG-JQFCIGGWSA-N 2 2 383.330 3.034 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000469880450 566823091 /nfs/dbraw/zinc/82/30/91/566823091.db2.gz QRQXIBQUHBXRJG-JQFCIGGWSA-N 2 2 383.330 3.034 20 0 GGADLP Brc1ccc(-n2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490039472 566826288 /nfs/dbraw/zinc/82/62/88/566826288.db2.gz MMUCCCRFDDWKHY-SFHVURJKSA-N 2 2 375.314 3.210 20 0 GGADLP Brc1ccc(-n2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cn2)cc1 ZINC000490039472 566826292 /nfs/dbraw/zinc/82/62/92/566826292.db2.gz MMUCCCRFDDWKHY-SFHVURJKSA-N 2 2 375.314 3.210 20 0 GGADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3cccc(Cl)c3Cl)CC2)C1 ZINC000562839568 566827680 /nfs/dbraw/zinc/82/76/80/566827680.db2.gz RXUMOEVPRZAEFH-BBRMVZONSA-N 2 2 386.323 3.150 20 0 GGADLP CC[NH2+]CCC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000517553729 566831273 /nfs/dbraw/zinc/83/12/73/566831273.db2.gz PFBZDPWKTBJLEK-IBGZPJMESA-N 2 2 380.941 3.422 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000469995506 566835530 /nfs/dbraw/zinc/83/55/30/566835530.db2.gz BIUHZLCNPYLFBX-CABCVRRESA-N 2 2 385.346 3.424 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000469995506 566835537 /nfs/dbraw/zinc/83/55/37/566835537.db2.gz BIUHZLCNPYLFBX-CABCVRRESA-N 2 2 385.346 3.424 20 0 GGADLP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000655690987 566836931 /nfs/dbraw/zinc/83/69/31/566836931.db2.gz ATZAZRFQTGFNNM-CJNGLKHVSA-N 2 2 383.330 3.362 20 0 GGADLP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000470014299 566839236 /nfs/dbraw/zinc/83/92/36/566839236.db2.gz YAVUULCCOIEFLQ-SNVBAGLBSA-N 2 2 379.245 3.230 20 0 GGADLP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(Br)c1OC(F)F ZINC000470014299 566839242 /nfs/dbraw/zinc/83/92/42/566839242.db2.gz YAVUULCCOIEFLQ-SNVBAGLBSA-N 2 2 379.245 3.230 20 0 GGADLP C[C@@H](Cc1cc(Br)ccc1F)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655737021 566841105 /nfs/dbraw/zinc/84/11/05/566841105.db2.gz JHQAPNSVXQRPKK-GUYCJALGSA-N 2 2 385.321 3.362 20 0 GGADLP C[C@@H](Cc1ccc(F)c(Br)c1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655733383 566841421 /nfs/dbraw/zinc/84/14/21/566841421.db2.gz MNJXZJCVIINJCC-BBRMVZONSA-N 2 2 385.321 3.362 20 0 GGADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562999712 566843198 /nfs/dbraw/zinc/84/31/98/566843198.db2.gz DDUAARITCGLJGU-PVUDFCJISA-N 2 2 387.351 3.157 20 0 GGADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]C[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)C[C@H](C)O1 ZINC000562999712 566843210 /nfs/dbraw/zinc/84/32/10/566843210.db2.gz DDUAARITCGLJGU-PVUDFCJISA-N 2 2 387.351 3.157 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490325280 566843666 /nfs/dbraw/zinc/84/36/66/566843666.db2.gz AONYSTFTOYYYLJ-QAPCUYQASA-N 2 2 377.330 3.146 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000490325280 566843676 /nfs/dbraw/zinc/84/36/76/566843676.db2.gz AONYSTFTOYYYLJ-QAPCUYQASA-N 2 2 377.330 3.146 20 0 GGADLP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000490338481 566844269 /nfs/dbraw/zinc/84/42/69/566844269.db2.gz DQCALCMAMIQPOO-YJBOKZPZSA-N 2 2 377.330 3.461 20 0 GGADLP C[C@@H](c1ccccc1)[N@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)C1 ZINC000490338481 566844274 /nfs/dbraw/zinc/84/42/74/566844274.db2.gz DQCALCMAMIQPOO-YJBOKZPZSA-N 2 2 377.330 3.461 20 0 GGADLP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CS2 ZINC000655762835 566844387 /nfs/dbraw/zinc/84/43/87/566844387.db2.gz YRYINEMTLXLGMA-ZBFHGGJFSA-N 2 2 383.355 3.439 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000655761294 566845033 /nfs/dbraw/zinc/84/50/33/566845033.db2.gz GXWWOPYXCAVGSV-INIZCTEOSA-N 2 2 386.297 3.244 20 0 GGADLP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)c(Cl)c1 ZINC000655760422 566845563 /nfs/dbraw/zinc/84/55/63/566845563.db2.gz PZTXRBJDDUTNSI-DLBZAZTESA-N 2 2 384.351 3.415 20 0 GGADLP Brc1cncc([C@@H]([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C2CC2)c1 ZINC000655765224 566845809 /nfs/dbraw/zinc/84/58/09/566845809.db2.gz BGHOHGYARWDDML-MSOLQXFVSA-N 2 2 380.330 3.138 20 0 GGADLP Fc1cc(Br)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000655767425 566847290 /nfs/dbraw/zinc/84/72/90/566847290.db2.gz VGSOKSRKHIJLAL-CQSZACIVSA-N 2 2 389.284 3.460 20 0 GGADLP Brc1ccccc1CC1([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655770721 566848076 /nfs/dbraw/zinc/84/80/76/566848076.db2.gz NUXCBNGPJQGGPB-QGZVFWFLSA-N 2 2 379.342 3.367 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000470161188 566851607 /nfs/dbraw/zinc/85/16/07/566851607.db2.gz NIRHCNNQXKKNII-RKVPGOIHSA-N 2 2 377.330 3.459 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000470161188 566851611 /nfs/dbraw/zinc/85/16/11/566851611.db2.gz NIRHCNNQXKKNII-RKVPGOIHSA-N 2 2 377.330 3.459 20 0 GGADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1 ZINC000470169378 566853087 /nfs/dbraw/zinc/85/30/87/566853087.db2.gz DUIAYFFPBQBMLT-JSGCOSHPSA-N 2 2 380.334 3.133 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+]C[C@H](CO)Cc3ccccc3Br)n2c1 ZINC000428538003 566854757 /nfs/dbraw/zinc/85/47/57/566854757.db2.gz PAVXYOKXEOFCEV-OAHLLOKOSA-N 2 2 388.309 3.346 20 0 GGADLP CS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1Cl ZINC000428538871 566855027 /nfs/dbraw/zinc/85/50/27/566855027.db2.gz REDGGFSWNUQFQU-UHFFFAOYSA-N 2 2 375.881 3.219 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C[C@H]21 ZINC000517937284 566855999 /nfs/dbraw/zinc/85/59/99/566855999.db2.gz TYWYZKHNAQVZCI-MPKXVKKWSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C[C@H]21 ZINC000517937284 566856008 /nfs/dbraw/zinc/85/60/08/566856008.db2.gz TYWYZKHNAQVZCI-MPKXVKKWSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C[C@@H]21 ZINC000517937286 566857096 /nfs/dbraw/zinc/85/70/96/566857096.db2.gz TYWYZKHNAQVZCI-VHRBIJSZSA-N 2 2 375.822 3.357 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Cl)cc3C(F)(F)F)C[C@@H]21 ZINC000517937286 566857105 /nfs/dbraw/zinc/85/71/05/566857105.db2.gz TYWYZKHNAQVZCI-VHRBIJSZSA-N 2 2 375.822 3.357 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC[N@@H+]1C ZINC000470258685 566860073 /nfs/dbraw/zinc/86/00/73/566860073.db2.gz KDWRWIGTUDWGAK-SKDRFNHKSA-N 2 2 391.151 3.366 20 0 GGADLP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2N)CC[N@H+]1C ZINC000470258685 566860079 /nfs/dbraw/zinc/86/00/79/566860079.db2.gz KDWRWIGTUDWGAK-SKDRFNHKSA-N 2 2 391.151 3.366 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000582421332 566861210 /nfs/dbraw/zinc/86/12/10/566861210.db2.gz XWOGGVJCCLTYQS-CHWSQXEVSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000582421332 566861215 /nfs/dbraw/zinc/86/12/15/566861215.db2.gz XWOGGVJCCLTYQS-CHWSQXEVSA-N 2 2 386.323 3.008 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554153 566874701 /nfs/dbraw/zinc/87/47/01/566874701.db2.gz DUZBRTMDECGDLP-WBMJQRKESA-N 2 2 379.291 3.322 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000582554153 566874704 /nfs/dbraw/zinc/87/47/04/566874704.db2.gz DUZBRTMDECGDLP-WBMJQRKESA-N 2 2 379.291 3.322 20 0 GGADLP COc1c(Br)cc(C[NH2+][C@H]2CCC[NH2+]C2)cc1Br ZINC000563414796 566881593 /nfs/dbraw/zinc/88/15/93/566881593.db2.gz BTCZOCQIACPWIY-JTQLQIEISA-N 2 2 378.108 3.062 20 0 GGADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1csc2c1cccc2Br ZINC000563438037 566884313 /nfs/dbraw/zinc/88/43/13/566884313.db2.gz DCPIGGIDKOCMGD-HNNXBMFYSA-N 2 2 396.354 3.093 20 0 GGADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1csc2c1cccc2Br ZINC000563438037 566884316 /nfs/dbraw/zinc/88/43/16/566884316.db2.gz DCPIGGIDKOCMGD-HNNXBMFYSA-N 2 2 396.354 3.093 20 0 GGADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3oc4ccccc4c3Br)CC2)C1 ZINC000656253183 566890375 /nfs/dbraw/zinc/89/03/75/566890375.db2.gz ZPRNIVAXKXAQFM-HNNXBMFYSA-N 2 2 392.341 3.407 20 0 GGADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3oc4ccccc4c3Br)CC2)C1 ZINC000656253183 566890380 /nfs/dbraw/zinc/89/03/80/566890380.db2.gz ZPRNIVAXKXAQFM-HNNXBMFYSA-N 2 2 392.341 3.407 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000656252310 566890589 /nfs/dbraw/zinc/89/05/89/566890589.db2.gz SCTLREDZZRPTHW-OAHLLOKOSA-N 2 2 377.330 3.327 20 0 GGADLP Cc1nn(-c2cccc(Br)c2)cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000656252310 566890594 /nfs/dbraw/zinc/89/05/94/566890594.db2.gz SCTLREDZZRPTHW-OAHLLOKOSA-N 2 2 377.330 3.327 20 0 GGADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000518621135 566895720 /nfs/dbraw/zinc/89/57/20/566895720.db2.gz BMTAMEJXBSTOBG-GDBMZVCRSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000518621135 566895725 /nfs/dbraw/zinc/89/57/25/566895725.db2.gz BMTAMEJXBSTOBG-GDBMZVCRSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000518621135 566895726 /nfs/dbraw/zinc/89/57/26/566895726.db2.gz BMTAMEJXBSTOBG-GDBMZVCRSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000518621135 566895731 /nfs/dbraw/zinc/89/57/31/566895731.db2.gz BMTAMEJXBSTOBG-GDBMZVCRSA-N 2 2 385.371 3.373 20 0 GGADLP Fc1cc2c(cc1Br)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CO2 ZINC000656260289 566895806 /nfs/dbraw/zinc/89/58/06/566895806.db2.gz TUTHCQCYBLRDFX-CXAGYDPISA-N 2 2 399.304 3.255 20 0 GGADLP C[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000518621138 566896749 /nfs/dbraw/zinc/89/67/49/566896749.db2.gz BMTAMEJXBSTOBG-ZBFHGGJFSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000518621138 566896753 /nfs/dbraw/zinc/89/67/53/566896753.db2.gz BMTAMEJXBSTOBG-ZBFHGGJFSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@@H](O)C[N@H+](C)[C@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000518621138 566896760 /nfs/dbraw/zinc/89/67/60/566896760.db2.gz BMTAMEJXBSTOBG-ZBFHGGJFSA-N 2 2 385.371 3.373 20 0 GGADLP C[NH+](C[C@@H](O)C[N@@H+](C)[C@H]1CCSc2ccc(Br)cc21)C1CC1 ZINC000518621138 566896770 /nfs/dbraw/zinc/89/67/70/566896770.db2.gz BMTAMEJXBSTOBG-ZBFHGGJFSA-N 2 2 385.371 3.373 20 0 GGADLP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)cc(F)c3F)CC2)C1 ZINC000582851932 566900799 /nfs/dbraw/zinc/90/07/99/566900799.db2.gz TXWQIQMNTQEQIO-HOCLYGCPSA-N 2 2 389.284 3.446 20 0 GGADLP Cc1sc(NC(=O)C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000582964847 566910297 /nfs/dbraw/zinc/91/02/97/566910297.db2.gz PPTRJQAXJUTFRB-RISCZKNCSA-N 2 2 378.929 3.380 20 0 GGADLP Cc1sc(NC(=O)C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)nc1-c1ccc(Cl)cc1 ZINC000582964847 566910299 /nfs/dbraw/zinc/91/02/99/566910299.db2.gz PPTRJQAXJUTFRB-RISCZKNCSA-N 2 2 378.929 3.380 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)C3CC[NH+](C)CC3)[nH+]c12 ZINC000680469366 566911025 /nfs/dbraw/zinc/91/10/25/566911025.db2.gz DPUIQCFALNSDKB-CQSZACIVSA-N 3 2 379.346 3.268 20 0 GGADLP CCc1nn(C)cc1C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000680483268 566913336 /nfs/dbraw/zinc/91/33/36/566913336.db2.gz YPRDQDKVXBPXLD-UHFFFAOYSA-N 2 2 376.302 3.033 20 0 GGADLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000470980803 566919541 /nfs/dbraw/zinc/91/95/41/566919541.db2.gz BQYDXTJQDUUXQL-OAHLLOKOSA-N 2 2 395.341 3.384 20 0 GGADLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000470980803 566919546 /nfs/dbraw/zinc/91/95/46/566919546.db2.gz BQYDXTJQDUUXQL-OAHLLOKOSA-N 2 2 395.341 3.384 20 0 GGADLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000470980803 566919550 /nfs/dbraw/zinc/91/95/50/566919550.db2.gz BQYDXTJQDUUXQL-OAHLLOKOSA-N 2 2 395.341 3.384 20 0 GGADLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCO3)C1 ZINC000470980803 566919555 /nfs/dbraw/zinc/91/95/55/566919555.db2.gz BQYDXTJQDUUXQL-OAHLLOKOSA-N 2 2 395.341 3.384 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470983287 566919600 /nfs/dbraw/zinc/91/96/00/566919600.db2.gz NWSRJWAVYLWFLZ-GOEBONIOSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000470983287 566919605 /nfs/dbraw/zinc/91/96/05/566919605.db2.gz NWSRJWAVYLWFLZ-GOEBONIOSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000470983287 566919610 /nfs/dbraw/zinc/91/96/10/566919610.db2.gz NWSRJWAVYLWFLZ-GOEBONIOSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000470983287 566919615 /nfs/dbraw/zinc/91/96/15/566919615.db2.gz NWSRJWAVYLWFLZ-GOEBONIOSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470982423 566920378 /nfs/dbraw/zinc/92/03/78/566920378.db2.gz KXXSJEDSGAMLEA-ZBFHGGJFSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470982423 566920382 /nfs/dbraw/zinc/92/03/82/566920382.db2.gz KXXSJEDSGAMLEA-ZBFHGGJFSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470982423 566920389 /nfs/dbraw/zinc/92/03/89/566920389.db2.gz KXXSJEDSGAMLEA-ZBFHGGJFSA-N 2 2 394.357 3.440 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470982423 566920395 /nfs/dbraw/zinc/92/03/95/566920395.db2.gz KXXSJEDSGAMLEA-ZBFHGGJFSA-N 2 2 394.357 3.440 20 0 GGADLP Cc1ccc2[nH+]cc(C[NH2+][C@H](CO)c3ccc(Br)c(F)c3)n2c1 ZINC000492195458 566928588 /nfs/dbraw/zinc/92/85/88/566928588.db2.gz WDMVOZDNDJXVAD-MRXNPFEDSA-N 2 2 378.245 3.368 20 0 GGADLP COc1c(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]2)cc1Br ZINC000583251018 566933846 /nfs/dbraw/zinc/93/38/46/566933846.db2.gz HSEHCHRAYWUJFQ-SNVBAGLBSA-N 2 2 378.108 3.062 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000471179629 566934502 /nfs/dbraw/zinc/93/45/02/566934502.db2.gz VDOPXUPFSNQLIO-AWEZNQCLSA-N 2 2 381.307 3.255 20 0 GGADLP O=C(C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1)NCCc1cccc(Cl)c1Cl ZINC000471179629 566934507 /nfs/dbraw/zinc/93/45/07/566934507.db2.gz VDOPXUPFSNQLIO-AWEZNQCLSA-N 2 2 381.307 3.255 20 0 GGADLP CC[C@H]([NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)[C@@H](O)C(F)(F)F ZINC000544179452 566946527 /nfs/dbraw/zinc/94/65/27/566946527.db2.gz SLXXXGPOMWUSDX-NWDGAFQWSA-N 2 2 380.208 3.197 20 0 GGADLP CC[C@H]([NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12)[C@H](O)C(F)(F)F ZINC000544179453 566946694 /nfs/dbraw/zinc/94/66/94/566946694.db2.gz SLXXXGPOMWUSDX-RYUDHWBXSA-N 2 2 380.208 3.197 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786797 566949743 /nfs/dbraw/zinc/94/97/43/566949743.db2.gz QSPOTLDBSGNCOD-INIZCTEOSA-N 2 2 384.973 3.345 20 0 GGADLP COc1c(Br)cc(C[N@H+](C)CC(C)(C)[NH3+])cc1Br ZINC000656783996 566950118 /nfs/dbraw/zinc/95/01/18/566950118.db2.gz XBHIYKMAHMTQBI-UHFFFAOYSA-N 2 2 380.124 3.389 20 0 GGADLP COc1c(Br)cc(C[N@@H+](C)CC(C)(C)[NH3+])cc1Br ZINC000656783996 566950124 /nfs/dbraw/zinc/95/01/24/566950124.db2.gz XBHIYKMAHMTQBI-UHFFFAOYSA-N 2 2 380.124 3.389 20 0 GGADLP C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)n1cc[nH+]c1 ZINC000519612991 566951950 /nfs/dbraw/zinc/95/19/50/566951950.db2.gz WQRRUQAPMIZDJF-OAHLLOKOSA-N 2 2 393.329 3.187 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[NH+](C4CCCC4)CC3)c[nH+]c12 ZINC000544353669 566956086 /nfs/dbraw/zinc/95/60/86/566956086.db2.gz XMIZQGXVIOCUEK-UHFFFAOYSA-N 2 2 377.330 3.465 20 0 GGADLP COc1cc(Br)c(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000519666209 566956719 /nfs/dbraw/zinc/95/67/19/566956719.db2.gz BBMANDRRZBWHBS-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000519666209 566956726 /nfs/dbraw/zinc/95/67/26/566956726.db2.gz BBMANDRRZBWHBS-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000519666209 566956731 /nfs/dbraw/zinc/95/67/31/566956731.db2.gz BBMANDRRZBWHBS-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP COc1cc(Br)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000519666209 566956737 /nfs/dbraw/zinc/95/67/37/566956737.db2.gz BBMANDRRZBWHBS-XJKSGUPXSA-N 2 2 383.330 3.382 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Br)cs1 ZINC000493895415 566958925 /nfs/dbraw/zinc/95/89/25/566958925.db2.gz WXVBKQXHSJLRDF-JSGCOSHPSA-N 2 2 388.375 3.104 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1cc(Br)cs1 ZINC000493895415 566958927 /nfs/dbraw/zinc/95/89/27/566958927.db2.gz WXVBKQXHSJLRDF-JSGCOSHPSA-N 2 2 388.375 3.104 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000564318703 566963557 /nfs/dbraw/zinc/96/35/57/566963557.db2.gz FLTFGDKIGPMLEZ-LBPRGKRZSA-N 2 2 377.279 3.297 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000564318703 566963561 /nfs/dbraw/zinc/96/35/61/566963561.db2.gz FLTFGDKIGPMLEZ-LBPRGKRZSA-N 2 2 377.279 3.297 20 0 GGADLP COc1c(Br)cc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC000519775151 566967702 /nfs/dbraw/zinc/96/77/02/566967702.db2.gz SPWRCYBHJSUAKM-UHFFFAOYSA-N 2 2 392.135 3.391 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000494045646 566968934 /nfs/dbraw/zinc/96/89/34/566968934.db2.gz BPFWFYBBMAASRH-CQSZACIVSA-N 2 2 375.738 3.285 20 0 GGADLP C[C@@H]1C[C@@H]1[N@@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)C1 ZINC000430114869 566983114 /nfs/dbraw/zinc/98/31/14/566983114.db2.gz FDMDVLHXAJFCFI-CPUCHLNUSA-N 2 2 377.330 3.259 20 0 GGADLP C[C@@H]1C[C@@H]1[N@H+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)C[C@@H](C)C1 ZINC000430114869 566983120 /nfs/dbraw/zinc/98/31/20/566983120.db2.gz FDMDVLHXAJFCFI-CPUCHLNUSA-N 2 2 377.330 3.259 20 0 GGADLP OC[C@H]([NH2+]C1CCN(c2cccc[nH+]2)CC1)c1ccc(Br)c(F)c1 ZINC000430137671 566989731 /nfs/dbraw/zinc/98/97/31/566989731.db2.gz LTJHYRSBRNJAKX-KRWDZBQOSA-N 2 2 394.288 3.275 20 0 GGADLP CC[C@H](C(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1)[NH+](CC)CC ZINC000544776735 566993383 /nfs/dbraw/zinc/99/33/83/566993383.db2.gz AAEFBCGSUHWQLQ-MRXNPFEDSA-N 2 2 395.345 3.184 20 0 GGADLP Brc1ccccc1CN1CCC([NH2+][C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC000494392888 566996864 /nfs/dbraw/zinc/99/68/64/566996864.db2.gz QCRIPEYZPKGZRD-QGZVFWFLSA-N 2 2 389.341 3.215 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)CCC2 ZINC000584048329 567006333 /nfs/dbraw/zinc/00/63/33/567006333.db2.gz LUZSMYGPRGYVQS-UONOGXRCSA-N 2 2 384.307 3.405 20 0 GGADLP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1Br ZINC000564841269 567013461 /nfs/dbraw/zinc/01/34/61/567013461.db2.gz UCWCVDUTOUXYES-HNNXBMFYSA-N 2 2 378.318 3.275 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472281247 567014545 /nfs/dbraw/zinc/01/45/45/567014545.db2.gz ZEMHYXLIQKARAA-OAHLLOKOSA-N 2 2 388.339 3.365 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2Cl)C1 ZINC000472281247 567014548 /nfs/dbraw/zinc/01/45/48/567014548.db2.gz ZEMHYXLIQKARAA-OAHLLOKOSA-N 2 2 388.339 3.365 20 0 GGADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)C2)C[C@@H](C)O1 ZINC000564861716 567014940 /nfs/dbraw/zinc/01/49/40/567014940.db2.gz BLHUBFUVSQZRAD-HSMRXVHUSA-N 2 2 387.351 3.299 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000545159577 567023967 /nfs/dbraw/zinc/02/39/67/567023967.db2.gz RMYHVLSOXYFXQV-MOPGFXCFSA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)c2ccc(Br)cc2F)C1 ZINC000545159577 567023974 /nfs/dbraw/zinc/02/39/74/567023974.db2.gz RMYHVLSOXYFXQV-MOPGFXCFSA-N 2 2 393.300 3.334 20 0 GGADLP Brc1ccccc1CCC[N@@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000584244139 567024417 /nfs/dbraw/zinc/02/44/17/567024417.db2.gz SHPLLXOEUXPBMH-KRWDZBQOSA-N 2 2 381.358 3.426 20 0 GGADLP Brc1ccccc1CCC[N@H+]1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000584244139 567024423 /nfs/dbraw/zinc/02/44/23/567024423.db2.gz SHPLLXOEUXPBMH-KRWDZBQOSA-N 2 2 381.358 3.426 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccc(CNc3cc[nH+]cc3Br)cc2)C[C@@H](C)O1 ZINC000545240273 567032793 /nfs/dbraw/zinc/03/27/93/567032793.db2.gz LAQUYQNYAXXRJO-HUUCEWRRSA-N 2 2 390.325 3.487 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)cs1 ZINC000430743917 567033039 /nfs/dbraw/zinc/03/30/39/567033039.db2.gz SNYCQYZYJDIGSB-HNNXBMFYSA-N 2 2 378.929 3.040 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)cs1 ZINC000430743917 567033045 /nfs/dbraw/zinc/03/30/45/567033045.db2.gz SNYCQYZYJDIGSB-HNNXBMFYSA-N 2 2 378.929 3.040 20 0 GGADLP Brc1cccc(C2(C[NH2+]Cc3c[nH+]c4n3CCC4)CCOCC2)c1 ZINC000657316464 567046004 /nfs/dbraw/zinc/04/60/04/567046004.db2.gz HLJDFBOKJIFDBW-UHFFFAOYSA-N 2 2 390.325 3.430 20 0 GGADLP Cc1c(Br)cncc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000657314891 567047657 /nfs/dbraw/zinc/04/76/57/567047657.db2.gz FZOVTUDANBYSJN-UHFFFAOYSA-N 2 2 390.325 3.275 20 0 GGADLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cc2c(cc1Br)OCCO2 ZINC000657320121 567047783 /nfs/dbraw/zinc/04/77/83/567047783.db2.gz SPFQHJWZWFMYJO-NSHDSACASA-N 2 2 378.270 3.214 20 0 GGADLP Brc1cccc(C2([NH2+]Cc3c[nH+]c4n3CCC4)CCOCC2)c1 ZINC000657355137 567049265 /nfs/dbraw/zinc/04/92/65/567049265.db2.gz CQQDRDLATKWDSU-UHFFFAOYSA-N 2 2 376.298 3.387 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000495185437 567051566 /nfs/dbraw/zinc/05/15/66/567051566.db2.gz VLEOJAXKMYTTLV-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000495185437 567051567 /nfs/dbraw/zinc/05/15/67/567051567.db2.gz VLEOJAXKMYTTLV-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000495185437 567051570 /nfs/dbraw/zinc/05/15/70/567051570.db2.gz VLEOJAXKMYTTLV-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000495185437 567051574 /nfs/dbraw/zinc/05/15/74/567051574.db2.gz VLEOJAXKMYTTLV-HNAYVOBHSA-N 2 2 389.341 3.469 20 0 GGADLP C[N@@H+]1CC[C@@H]2CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000495181177 567052248 /nfs/dbraw/zinc/05/22/48/567052248.db2.gz CMBPOHXHNLYACV-QAPCUYQASA-N 2 2 375.314 3.161 20 0 GGADLP C[N@H+]1CC[C@@H]2CC[NH+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000495181177 567052256 /nfs/dbraw/zinc/05/22/56/567052256.db2.gz CMBPOHXHNLYACV-QAPCUYQASA-N 2 2 375.314 3.161 20 0 GGADLP C[NH+]1CC[C@@H]2CC[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000495181177 567052268 /nfs/dbraw/zinc/05/22/68/567052268.db2.gz CMBPOHXHNLYACV-QAPCUYQASA-N 2 2 375.314 3.161 20 0 GGADLP C[NH+]1CC[C@@H]2CC[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)[C@H]2C1 ZINC000495181177 567052276 /nfs/dbraw/zinc/05/22/76/567052276.db2.gz CMBPOHXHNLYACV-QAPCUYQASA-N 2 2 375.314 3.161 20 0 GGADLP O[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Br)C[NH+]1CCCC1 ZINC000521319867 567053909 /nfs/dbraw/zinc/05/39/09/567053909.db2.gz RFCKPRJWIHZKSL-ZDUSSCGKSA-N 2 2 381.236 3.014 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+]Cc3c(C4CC4)cnn3C)[nH+]c12 ZINC000657436341 567056816 /nfs/dbraw/zinc/05/68/16/567056816.db2.gz SSXKLTGYRIQFMJ-UHFFFAOYSA-N 2 2 388.313 3.348 20 0 GGADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431135616 567058382 /nfs/dbraw/zinc/05/83/82/567058382.db2.gz GSDMOZJTGTWDMU-GOEBONIOSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431135616 567058391 /nfs/dbraw/zinc/05/83/91/567058391.db2.gz GSDMOZJTGTWDMU-GOEBONIOSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431135615 567058769 /nfs/dbraw/zinc/05/87/69/567058769.db2.gz GSDMOZJTGTWDMU-GDBMZVCRSA-N 2 2 383.275 3.281 20 0 GGADLP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000431135615 567058775 /nfs/dbraw/zinc/05/87/75/567058775.db2.gz GSDMOZJTGTWDMU-GDBMZVCRSA-N 2 2 383.275 3.281 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)C1 ZINC000565367369 567062571 /nfs/dbraw/zinc/06/25/71/567062571.db2.gz LNEOBZLBGHYJAE-RHSMWYFYSA-N 2 2 383.323 3.359 20 0 GGADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453258547 567069789 /nfs/dbraw/zinc/06/97/89/567069789.db2.gz HSVUHCOZSUACHX-NVXWUHKLSA-N 2 2 383.330 3.099 20 0 GGADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000453258547 567069792 /nfs/dbraw/zinc/06/97/92/567069792.db2.gz HSVUHCOZSUACHX-NVXWUHKLSA-N 2 2 383.330 3.099 20 0 GGADLP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC000565471880 567070443 /nfs/dbraw/zinc/07/04/43/567070443.db2.gz RSWNOVOBDBMSAY-WMLDXEAASA-N 2 2 386.323 3.150 20 0 GGADLP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(Cl)cc3Cl)CC2)C1 ZINC000565471879 567070542 /nfs/dbraw/zinc/07/05/42/567070542.db2.gz RSWNOVOBDBMSAY-RHSMWYFYSA-N 2 2 386.323 3.150 20 0 GGADLP OCCC[N@@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453292117 567072843 /nfs/dbraw/zinc/07/28/43/567072843.db2.gz OLQJMYDRLWNNEJ-PKOBYXMFSA-N 2 2 381.358 3.207 20 0 GGADLP OCCC[N@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000453292117 567072846 /nfs/dbraw/zinc/07/28/46/567072846.db2.gz OLQJMYDRLWNNEJ-PKOBYXMFSA-N 2 2 381.358 3.207 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000585766423 567087160 /nfs/dbraw/zinc/08/71/60/567087160.db2.gz UWNZVEMRBKXTBP-HNNXBMFYSA-N 2 2 378.270 3.269 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(Br)c1 ZINC000585766423 567087162 /nfs/dbraw/zinc/08/71/62/567087162.db2.gz UWNZVEMRBKXTBP-HNNXBMFYSA-N 2 2 378.270 3.269 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2Br)CC1 ZINC000545916988 567088754 /nfs/dbraw/zinc/08/87/54/567088754.db2.gz XIEDOWRGQFFACJ-HNNXBMFYSA-N 2 2 397.357 3.387 20 0 GGADLP Brc1ccc2c(c1)C=C(C[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CO2 ZINC000657750295 567093377 /nfs/dbraw/zinc/09/33/77/567093377.db2.gz GIMRXKGBPLMCDQ-SFHVURJKSA-N 2 2 393.325 3.068 20 0 GGADLP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CC2 ZINC000657753118 567093710 /nfs/dbraw/zinc/09/37/10/567093710.db2.gz UGEOXTYCXSKBQS-SJORKVTESA-N 2 2 379.342 3.149 20 0 GGADLP Brc1ccccc1-n1cc(C[NH2+]CCCNc2cccc[nH+]2)nn1 ZINC000565803690 567101374 /nfs/dbraw/zinc/10/13/74/567101374.db2.gz KFKVYDJDDGOART-UHFFFAOYSA-N 2 2 387.285 3.017 20 0 GGADLP COc1ccc(C[NH2+]C[C@H]2CCCn3cc(C)[nH+]c32)c(Br)c1O ZINC000546175363 567113111 /nfs/dbraw/zinc/11/31/11/567113111.db2.gz WGXQRDUYGRTXEJ-CYBMUJFWSA-N 2 2 380.286 3.335 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)[nH+]c12 ZINC000546229026 567116207 /nfs/dbraw/zinc/11/62/07/567116207.db2.gz ZYIFFILTTYTXKE-GVDBMIGSSA-N 2 2 390.325 3.495 20 0 GGADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Br)c1 ZINC000683366505 567116606 /nfs/dbraw/zinc/11/66/06/567116606.db2.gz FSLVYUKJBMDBBH-CJNGLKHVSA-N 2 2 389.297 3.157 20 0 GGADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Br)c1 ZINC000683366505 567116608 /nfs/dbraw/zinc/11/66/08/567116608.db2.gz FSLVYUKJBMDBBH-CJNGLKHVSA-N 2 2 389.297 3.157 20 0 GGADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Br)c1 ZINC000683366506 567117262 /nfs/dbraw/zinc/11/72/62/567117262.db2.gz FSLVYUKJBMDBBH-CZUORRHYSA-N 2 2 389.297 3.157 20 0 GGADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCN1c1cccc(Br)c1 ZINC000683366506 567117273 /nfs/dbraw/zinc/11/72/73/567117273.db2.gz FSLVYUKJBMDBBH-CZUORRHYSA-N 2 2 389.297 3.157 20 0 GGADLP O=C1[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1cccc(Br)c1 ZINC000683365883 567117655 /nfs/dbraw/zinc/11/76/55/567117655.db2.gz XGJZWDZYIFHSHH-DLBZAZTESA-N 2 2 389.297 3.088 20 0 GGADLP O=C1[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1cccc(Br)c1 ZINC000683365883 567117663 /nfs/dbraw/zinc/11/76/63/567117663.db2.gz XGJZWDZYIFHSHH-DLBZAZTESA-N 2 2 389.297 3.088 20 0 GGADLP O=C(CC[NH2+]Cc1c[nH+]c2n1CCCC2)Nc1ccc(Br)cc1 ZINC000566130010 567127643 /nfs/dbraw/zinc/12/76/43/567127643.db2.gz YPBLFYZINPILBI-UHFFFAOYSA-N 2 2 377.286 3.100 20 0 GGADLP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294882 567133687 /nfs/dbraw/zinc/13/36/87/567133687.db2.gz PSYBYSGOCBGWQD-KDOFPFPSSA-N 2 2 383.305 3.418 20 0 GGADLP Brc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000658292169 567134003 /nfs/dbraw/zinc/13/40/03/567134003.db2.gz PEDFMSZVGGMXEI-OALUTQOASA-N 2 2 379.342 3.149 20 0 GGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658296317 567134402 /nfs/dbraw/zinc/13/44/02/567134402.db2.gz YTSXRUOKXQKNRO-CJNGLKHVSA-N 2 2 385.321 3.362 20 0 GGADLP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658296318 567134572 /nfs/dbraw/zinc/13/45/72/567134572.db2.gz YTSXRUOKXQKNRO-CZUORRHYSA-N 2 2 385.321 3.362 20 0 GGADLP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000566212278 567138426 /nfs/dbraw/zinc/13/84/26/567138426.db2.gz PHZDFPCREWHSBY-OLMNPRSZSA-N 2 2 394.357 3.220 20 0 GGADLP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(Br)c1 ZINC000589206248 567166949 /nfs/dbraw/zinc/16/69/49/567166949.db2.gz CKXHUFILCMKJTM-DOTOQJQBSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(Br)c1 ZINC000589206248 567166955 /nfs/dbraw/zinc/16/69/55/567166955.db2.gz CKXHUFILCMKJTM-DOTOQJQBSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(Br)c1 ZINC000589206248 567166958 /nfs/dbraw/zinc/16/69/58/567166958.db2.gz CKXHUFILCMKJTM-DOTOQJQBSA-N 2 2 381.314 3.152 20 0 GGADLP COC(=O)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(Br)c1 ZINC000589206248 567166962 /nfs/dbraw/zinc/16/69/62/567166962.db2.gz CKXHUFILCMKJTM-DOTOQJQBSA-N 2 2 381.314 3.152 20 0 GGADLP CC(=O)N(c1nc(C[NH2+]CCn2cc[nH+]c2)cs1)c1cccc(Cl)c1 ZINC000589253987 567170256 /nfs/dbraw/zinc/17/02/56/567170256.db2.gz RUNBKYMKBQVOEK-UHFFFAOYSA-N 2 2 375.885 3.467 20 0 GGADLP C[C@H](CCc1ccc(I)cc1)[NH2+]CCCn1cc[nH+]c1 ZINC000474462709 567174355 /nfs/dbraw/zinc/17/43/55/567174355.db2.gz TZSUMEVFUBSPRL-CQSZACIVSA-N 2 2 383.277 3.489 20 0 GGADLP [NH3+]CC[C@H]1CCCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000566736677 567185538 /nfs/dbraw/zinc/18/55/38/567185538.db2.gz LKFQOEOLCQPICX-QAPCUYQASA-N 2 2 394.357 3.173 20 0 GGADLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474632292 567185730 /nfs/dbraw/zinc/18/57/30/567185730.db2.gz PWDLWXOLXRHQNM-LLVKDONJSA-N 2 2 394.247 3.391 20 0 GGADLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(F)ccc(I)c2F)C1 ZINC000474632292 567185732 /nfs/dbraw/zinc/18/57/32/567185732.db2.gz PWDLWXOLXRHQNM-LLVKDONJSA-N 2 2 394.247 3.391 20 0 GGADLP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)C1 ZINC000547279723 567194191 /nfs/dbraw/zinc/19/41/91/567194191.db2.gz XLDQPDDKCMYDPO-OALUTQOASA-N 2 2 393.300 3.334 20 0 GGADLP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Br)cc2)c2ccccc2F)C1 ZINC000547279723 567194198 /nfs/dbraw/zinc/19/41/98/567194198.db2.gz XLDQPDDKCMYDPO-OALUTQOASA-N 2 2 393.300 3.334 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000547280259 567196965 /nfs/dbraw/zinc/19/69/65/567196965.db2.gz UPLUDLMDLKHAFT-KZULUSFZSA-N 2 2 383.323 3.205 20 0 GGADLP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cnn1-c1ccc(Cl)cc1Cl ZINC000547280259 567196969 /nfs/dbraw/zinc/19/69/69/567196969.db2.gz UPLUDLMDLKHAFT-KZULUSFZSA-N 2 2 383.323 3.205 20 0 GGADLP O=C(NCC[NH+]1CCSCC1)c1ccc(Oc2cc[nH+]cc2)c(Cl)c1 ZINC000524410883 567197567 /nfs/dbraw/zinc/19/75/67/567197567.db2.gz KCMHPOYXQXBOKW-UHFFFAOYSA-N 2 2 377.897 3.306 20 0 GGADLP Cc1ccc(CCC[NH2+]C[C@@H](O)COc2ccccc2Br)c[nH+]1 ZINC000474804802 567200387 /nfs/dbraw/zinc/20/03/87/567200387.db2.gz AGKJGKFLXOTQNP-MRXNPFEDSA-N 2 2 379.298 3.115 20 0 GGADLP Cn1c[nH+]cc1CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000547539667 567217308 /nfs/dbraw/zinc/21/73/08/567217308.db2.gz IILBPIGDGPZBFK-UHFFFAOYSA-N 2 2 383.323 3.250 20 0 GGADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000499056405 567221624 /nfs/dbraw/zinc/22/16/24/567221624.db2.gz OZIJHZDZWHJXIN-UHFFFAOYSA-N 2 2 391.313 3.305 20 0 GGADLP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000475138873 567227243 /nfs/dbraw/zinc/22/72/43/567227243.db2.gz WNLOTSMQNZRHCY-UHFFFAOYSA-N 2 2 381.314 3.281 20 0 GGADLP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000475138873 567227248 /nfs/dbraw/zinc/22/72/48/567227248.db2.gz WNLOTSMQNZRHCY-UHFFFAOYSA-N 2 2 381.314 3.281 20 0 GGADLP FC(F)(F)COc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1Br ZINC000659851044 567233141 /nfs/dbraw/zinc/23/31/41/567233141.db2.gz XXGLKNRJZPNBEP-VXGBXAGGSA-N 2 2 379.220 3.041 20 0 GGADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2cccc(Cl)c2Cl)CC1 ZINC000567598731 567260009 /nfs/dbraw/zinc/26/00/09/567260009.db2.gz LAOJEOLZNQXNLH-KBXCAEBGSA-N 2 2 386.323 3.150 20 0 GGADLP Cn1c[nH+]cc1C[NH2+][C@H](CO)c1ccc(Br)cc1C(F)(F)F ZINC000475615005 567263056 /nfs/dbraw/zinc/26/30/56/567263056.db2.gz INDPWOLUWLJFFJ-CYBMUJFWSA-N 2 2 378.192 3.025 20 0 GGADLP Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000591082549 567263071 /nfs/dbraw/zinc/26/30/71/567263071.db2.gz OQJFROITDIYEHR-HNNXBMFYSA-N 2 2 377.286 3.230 20 0 GGADLP Cc1cc(NC(=O)C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1Br ZINC000591082549 567263079 /nfs/dbraw/zinc/26/30/79/567263079.db2.gz OQJFROITDIYEHR-HNNXBMFYSA-N 2 2 377.286 3.230 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083460 567264012 /nfs/dbraw/zinc/26/40/12/567264012.db2.gz WEQRUCIZGFWKNN-BBRMVZONSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083460 567264017 /nfs/dbraw/zinc/26/40/17/567264017.db2.gz WEQRUCIZGFWKNN-BBRMVZONSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083461 567264144 /nfs/dbraw/zinc/26/41/44/567264144.db2.gz WEQRUCIZGFWKNN-CJNGLKHVSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000591083461 567264154 /nfs/dbraw/zinc/26/41/54/567264154.db2.gz WEQRUCIZGFWKNN-CJNGLKHVSA-N 2 2 377.286 3.310 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000591083196 567264689 /nfs/dbraw/zinc/26/46/89/567264689.db2.gz QTLYORKLYRRBFP-WMLDXEAASA-N 2 2 391.313 3.160 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1)c1ccc(Br)cc1 ZINC000591083196 567264696 /nfs/dbraw/zinc/26/46/96/567264696.db2.gz QTLYORKLYRRBFP-WMLDXEAASA-N 2 2 391.313 3.160 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000475632843 567264640 /nfs/dbraw/zinc/26/46/40/567264640.db2.gz GOFOTBADRAUQIU-INIZCTEOSA-N 2 2 380.838 3.093 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1F ZINC000591082613 567264988 /nfs/dbraw/zinc/26/49/88/567264988.db2.gz SAUYTNZYBKJGTI-AWEZNQCLSA-N 2 2 395.276 3.450 20 0 GGADLP O=C(CC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1)Nc1ccc(Br)cc1F ZINC000591082613 567264993 /nfs/dbraw/zinc/26/49/93/567264993.db2.gz SAUYTNZYBKJGTI-AWEZNQCLSA-N 2 2 395.276 3.450 20 0 GGADLP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000567707583 567270775 /nfs/dbraw/zinc/27/07/75/567270775.db2.gz YWRZWUJOIPMHSH-KDOFPFPSSA-N 2 2 392.341 3.353 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21)C1CC1 ZINC000567707583 567270783 /nfs/dbraw/zinc/27/07/83/567270783.db2.gz YWRZWUJOIPMHSH-KDOFPFPSSA-N 2 2 392.341 3.353 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412640 567271407 /nfs/dbraw/zinc/27/14/07/567271407.db2.gz URLWXTQAIOADBI-HUUCEWRRSA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412640 567271414 /nfs/dbraw/zinc/27/14/14/567271414.db2.gz URLWXTQAIOADBI-HUUCEWRRSA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412640 567271419 /nfs/dbraw/zinc/27/14/19/567271419.db2.gz URLWXTQAIOADBI-HUUCEWRRSA-N 2 2 378.567 3.294 20 0 GGADLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)Nc3nccs3)C2)s1 ZINC000685412640 567271425 /nfs/dbraw/zinc/27/14/25/567271425.db2.gz URLWXTQAIOADBI-HUUCEWRRSA-N 2 2 378.567 3.294 20 0 GGADLP Fc1ccc(I)c(F)c1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282828 567271436 /nfs/dbraw/zinc/27/14/36/567271436.db2.gz SXLUOLPYLSCBKJ-JTQLQIEISA-N 2 2 392.231 3.334 20 0 GGADLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000567752481 567273887 /nfs/dbraw/zinc/27/38/87/567273887.db2.gz LVGMYIHPTVEDQB-INIZCTEOSA-N 2 2 383.330 3.144 20 0 GGADLP COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCOCC3)CC2)cc1Br ZINC000567752481 567273891 /nfs/dbraw/zinc/27/38/91/567273891.db2.gz LVGMYIHPTVEDQB-INIZCTEOSA-N 2 2 383.330 3.144 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1c(Cl)cccc1OC(F)F ZINC000685454804 567275679 /nfs/dbraw/zinc/27/56/79/567275679.db2.gz VGJUMKQTJOUWSN-UHFFFAOYSA-N 2 2 375.891 3.399 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1c(Cl)cccc1OC(F)F ZINC000685454804 567275683 /nfs/dbraw/zinc/27/56/83/567275683.db2.gz VGJUMKQTJOUWSN-UHFFFAOYSA-N 2 2 375.891 3.399 20 0 GGADLP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1c(Cl)cccc1Br ZINC000638985164 567281421 /nfs/dbraw/zinc/28/14/21/567281421.db2.gz AWMXUFULRUSXAV-UHFFFAOYSA-N 2 2 395.688 3.159 20 0 GGADLP Brc1scnc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000660233978 567282280 /nfs/dbraw/zinc/28/22/80/567282280.db2.gz SOTGUEBJKXZQCE-UHFFFAOYSA-N 2 2 388.375 3.230 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000526051319 567285855 /nfs/dbraw/zinc/28/58/55/567285855.db2.gz GDIZXHLOWJZZBL-CYBMUJFWSA-N 2 2 375.519 3.497 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894769 567288043 /nfs/dbraw/zinc/28/80/43/567288043.db2.gz SPDKQZXOOORRQN-OLZOCXBDSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567894769 567288049 /nfs/dbraw/zinc/28/80/49/567288049.db2.gz SPDKQZXOOORRQN-OLZOCXBDSA-N 2 2 386.323 3.008 20 0 GGADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2nc3cc(Br)ccc3o2)CCCO1 ZINC000639117291 567291029 /nfs/dbraw/zinc/29/10/29/567291029.db2.gz GWLOCBUVQCUMNJ-CYBMUJFWSA-N 2 2 382.302 3.181 20 0 GGADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2nc3cc(Br)ccc3o2)CCCO1 ZINC000639117291 567291033 /nfs/dbraw/zinc/29/10/33/567291033.db2.gz GWLOCBUVQCUMNJ-CYBMUJFWSA-N 2 2 382.302 3.181 20 0 GGADLP C[NH+](C)CCOC1CC[NH+](Cc2c(F)ccc(Br)c2F)CC1 ZINC000500119754 567301027 /nfs/dbraw/zinc/30/10/27/567301027.db2.gz AWBUSVPZIDOGOE-UHFFFAOYSA-N 2 2 377.273 3.270 20 0 GGADLP Clc1cccc(Cl)c1-c1nnc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)o1 ZINC000568166178 567308639 /nfs/dbraw/zinc/30/86/39/567308639.db2.gz FFBYGCNJCXYDAB-UHFFFAOYSA-N 2 2 379.251 3.089 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000568165743 567308972 /nfs/dbraw/zinc/30/89/72/567308972.db2.gz VZOXFRRMTXIXHQ-ZDUSSCGKSA-N 2 2 392.297 3.333 20 0 GGADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000568165743 567308976 /nfs/dbraw/zinc/30/89/76/567308976.db2.gz VZOXFRRMTXIXHQ-ZDUSSCGKSA-N 2 2 392.297 3.333 20 0 GGADLP C[C@@H](NC(=O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652343 567314719 /nfs/dbraw/zinc/31/47/19/567314719.db2.gz IUPKUNJTXQSIRL-BEFAXECRSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652343 567314726 /nfs/dbraw/zinc/31/47/26/567314726.db2.gz IUPKUNJTXQSIRL-BEFAXECRSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652343 567314731 /nfs/dbraw/zinc/31/47/31/567314731.db2.gz IUPKUNJTXQSIRL-BEFAXECRSA-N 2 2 394.357 3.044 20 0 GGADLP C[C@@H](NC(=O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Br)cc1 ZINC000660652343 567314736 /nfs/dbraw/zinc/31/47/36/567314736.db2.gz IUPKUNJTXQSIRL-BEFAXECRSA-N 2 2 394.357 3.044 20 0 GGADLP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455873601 567316231 /nfs/dbraw/zinc/31/62/31/567316231.db2.gz XZVIFOUHUJXFTH-ZDUSSCGKSA-N 2 2 398.349 3.010 20 0 GGADLP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)C1 ZINC000455873601 567316236 /nfs/dbraw/zinc/31/62/36/567316236.db2.gz XZVIFOUHUJXFTH-ZDUSSCGKSA-N 2 2 398.349 3.010 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657280 567316907 /nfs/dbraw/zinc/31/69/07/567316907.db2.gz OYNYKXABXGEKIL-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660657280 567316915 /nfs/dbraw/zinc/31/69/15/567316915.db2.gz OYNYKXABXGEKIL-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660657280 567316920 /nfs/dbraw/zinc/31/69/20/567316920.db2.gz OYNYKXABXGEKIL-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660657280 567316925 /nfs/dbraw/zinc/31/69/25/567316925.db2.gz OYNYKXABXGEKIL-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCCc1cccc(Cl)c1Cl)C2 ZINC000660658420 567317153 /nfs/dbraw/zinc/31/71/53/567317153.db2.gz ZNTRSPUVSMPKES-LJQANCHMSA-N 2 2 384.351 3.070 20 0 GGADLP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC(=O)NCCc1cccc(Cl)c1Cl)C2 ZINC000660658420 567317161 /nfs/dbraw/zinc/31/71/61/567317161.db2.gz ZNTRSPUVSMPKES-LJQANCHMSA-N 2 2 384.351 3.070 20 0 GGADLP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C2 ZINC000660658420 567317164 /nfs/dbraw/zinc/31/71/64/567317164.db2.gz ZNTRSPUVSMPKES-LJQANCHMSA-N 2 2 384.351 3.070 20 0 GGADLP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C2 ZINC000660658420 567317173 /nfs/dbraw/zinc/31/71/73/567317173.db2.gz ZNTRSPUVSMPKES-LJQANCHMSA-N 2 2 384.351 3.070 20 0 GGADLP Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000434633847 567317234 /nfs/dbraw/zinc/31/72/34/567317234.db2.gz MDJFVCLKSKKYDJ-CRICUBBOSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000434633847 567317239 /nfs/dbraw/zinc/31/72/39/567317239.db2.gz MDJFVCLKSKKYDJ-CRICUBBOSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000434633847 567317244 /nfs/dbraw/zinc/31/72/44/567317244.db2.gz MDJFVCLKSKKYDJ-CRICUBBOSA-N 2 2 377.579 3.143 20 0 GGADLP Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([S@@](C)=O)cc2)C1 ZINC000434633847 567317248 /nfs/dbraw/zinc/31/72/48/567317248.db2.gz MDJFVCLKSKKYDJ-CRICUBBOSA-N 2 2 377.579 3.143 20 0 GGADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)CC[C@H](C)[NH3+])CC1 ZINC000434681352 567319914 /nfs/dbraw/zinc/31/99/14/567319914.db2.gz NKQALINOBJPNRA-YOEHRIQHSA-N 2 2 382.346 3.172 20 0 GGADLP C[C@H](CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)[NH+](C)C ZINC000617754778 567333737 /nfs/dbraw/zinc/33/37/37/567333737.db2.gz AIRXOOYUAWBUIM-RHSMWYFYSA-N 2 2 382.346 3.042 20 0 GGADLP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CCC34CCOCC4)[nH+]c12 ZINC000548793517 567350814 /nfs/dbraw/zinc/35/08/14/567350814.db2.gz GDKQUOKNRHXCOM-INIZCTEOSA-N 2 2 378.314 3.497 20 0 GGADLP Brc1ccc2[nH+]cc(CN3CC[NH+](Cc4ccccc4)CC3)n2c1 ZINC000435236560 567352246 /nfs/dbraw/zinc/35/22/46/567352246.db2.gz JMKYBDUHUYHESV-UHFFFAOYSA-N 2 2 385.309 3.415 20 0 GGADLP Fc1cc(Br)cnc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000527632745 567352907 /nfs/dbraw/zinc/35/29/07/567352907.db2.gz VGCOPXYNZHCSOI-UHFFFAOYSA-N 2 2 394.288 3.105 20 0 GGADLP Cc1cn2c([nH+]1)[C@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CCC2 ZINC000568751119 567353782 /nfs/dbraw/zinc/35/37/82/567353782.db2.gz YRKUVIILTFAURY-ZFWWWQNUSA-N 2 2 384.307 3.405 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)CCC2 ZINC000568751117 567353814 /nfs/dbraw/zinc/35/38/14/567353814.db2.gz YRKUVIILTFAURY-HIFRSBDPSA-N 2 2 384.307 3.405 20 0 GGADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527652785 567356325 /nfs/dbraw/zinc/35/63/25/567356325.db2.gz LDGILVCLZBHZEG-UHFFFAOYSA-N 2 2 377.273 3.318 20 0 GGADLP Fc1c(Br)ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1F ZINC000527663408 567357616 /nfs/dbraw/zinc/35/76/16/567357616.db2.gz ZMMRKTDCQKYQGR-LBPRGKRZSA-N 2 2 389.284 3.318 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000435380527 567357909 /nfs/dbraw/zinc/35/79/09/567357909.db2.gz OPHGBEIUWPKTKT-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)C1CC[NH2+]CC1 ZINC000435380527 567357917 /nfs/dbraw/zinc/35/79/17/567357917.db2.gz OPHGBEIUWPKTKT-UHFFFAOYSA-N 2 2 377.330 3.435 20 0 GGADLP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527674317 567359889 /nfs/dbraw/zinc/35/98/89/567359889.db2.gz LIMVNCFQFHPARB-GJZGRUSLSA-N 2 2 389.284 3.195 20 0 GGADLP Cc1ncsc1CN(Cc1cn2cc(Cl)ccc2[nH+]1)C[C@@H]1CC[NH2+]C1 ZINC000435422000 567360654 /nfs/dbraw/zinc/36/06/54/567360654.db2.gz KFIHQRKYQMPUES-CQSZACIVSA-N 2 2 375.929 3.364 20 0 GGADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ncc(Br)cc3F)[nH+]c2)C1 ZINC000527681916 567361800 /nfs/dbraw/zinc/36/18/00/567361800.db2.gz PVANEJRDUJCWLB-AWEZNQCLSA-N 2 2 394.292 3.131 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1csc(Br)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000435429634 567362421 /nfs/dbraw/zinc/36/24/21/567362421.db2.gz YJPGDKOKSJXRMN-AWEZNQCLSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1c[nH+]cc1[C@@H]1C[C@H]([NH2+]Cc2ncc(Cl)cc2Br)CCO1 ZINC000527693421 567362748 /nfs/dbraw/zinc/36/27/48/567362748.db2.gz DPIAYJJOKDLSOU-ABAIWWIYSA-N 2 2 385.693 3.241 20 0 GGADLP Cn1cc[nH+]c1CN(Cc1ccc(Br)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436975 567366509 /nfs/dbraw/zinc/36/65/09/567366509.db2.gz HUGRVFBZGLXCFX-CQSZACIVSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1ccnc1C[N@H+](Cc1ccc(Br)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436975 567366518 /nfs/dbraw/zinc/36/65/18/567366518.db2.gz HUGRVFBZGLXCFX-CQSZACIVSA-N 2 2 395.370 3.388 20 0 GGADLP Cn1ccnc1C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435436975 567366525 /nfs/dbraw/zinc/36/65/25/567366525.db2.gz HUGRVFBZGLXCFX-CQSZACIVSA-N 2 2 395.370 3.388 20 0 GGADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501122246 567368099 /nfs/dbraw/zinc/36/80/99/567368099.db2.gz PMNZGCQOCXHMNU-GOSISDBHSA-N 2 2 397.357 3.059 20 0 GGADLP CC[N@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629881 567381806 /nfs/dbraw/zinc/38/18/06/567381806.db2.gz VGYKFXDZFDVNDD-CYBMUJFWSA-N 2 2 375.847 3.344 20 0 GGADLP CC[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435629881 567381811 /nfs/dbraw/zinc/38/18/11/567381811.db2.gz VGYKFXDZFDVNDD-CYBMUJFWSA-N 2 2 375.847 3.344 20 0 GGADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2c(F)ccc(Br)c2F)C[C@@H](C)O1 ZINC000501419079 567386382 /nfs/dbraw/zinc/38/63/82/567386382.db2.gz FKQILXGXDBSFAO-VXGBXAGGSA-N 2 2 377.273 3.316 20 0 GGADLP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2Cl)CC1 ZINC000569217973 567387964 /nfs/dbraw/zinc/38/79/64/567387964.db2.gz PEYNZUAGXHFOAD-MAUKXSAKSA-N 2 2 386.323 3.150 20 0 GGADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469672 567390834 /nfs/dbraw/zinc/39/08/34/567390834.db2.gz WDAVZAHIQUMOMU-HZMBPMFUSA-N 2 2 378.685 3.374 20 0 GGADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(I)cc1Cl ZINC000501469672 567390840 /nfs/dbraw/zinc/39/08/40/567390840.db2.gz WDAVZAHIQUMOMU-HZMBPMFUSA-N 2 2 378.685 3.374 20 0 GGADLP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccccc1Br ZINC000662290119 567424625 /nfs/dbraw/zinc/42/46/25/567424625.db2.gz KJGHVYQLCZMCKN-OAHLLOKOSA-N 2 2 380.330 3.099 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291459 567425226 /nfs/dbraw/zinc/42/52/26/567425226.db2.gz STTPWUJUYNHNPS-GDBMZVCRSA-N 2 2 394.357 3.488 20 0 GGADLP C[C@@H]1C[NH+](CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)C[C@@H](C)O1 ZINC000550078028 567425742 /nfs/dbraw/zinc/42/57/42/567425742.db2.gz NTHIAHCZIMDAFN-INMHGKMJSA-N 2 2 381.358 3.395 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291462 567425912 /nfs/dbraw/zinc/42/59/12/567425912.db2.gz STTPWUJUYNHNPS-ZBFHGGJFSA-N 2 2 394.357 3.488 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000569723764 567426541 /nfs/dbraw/zinc/42/65/41/567426541.db2.gz NIJMWFZHEKRWPJ-MVWJERBFSA-N 2 2 383.315 3.120 20 0 GGADLP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cc(Br)cs4)no3)C[C@H]21 ZINC000569723764 567426546 /nfs/dbraw/zinc/42/65/46/567426546.db2.gz NIJMWFZHEKRWPJ-MVWJERBFSA-N 2 2 383.315 3.120 20 0 GGADLP CCN(CC)c1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)c[nH+]1 ZINC000662386915 567431847 /nfs/dbraw/zinc/43/18/47/567431847.db2.gz OYBPPGHJGNKYAN-KRWDZBQOSA-N 2 2 391.313 3.007 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238878 567435437 /nfs/dbraw/zinc/43/54/37/567435437.db2.gz NYCLIRPBXYDMDC-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238878 567435442 /nfs/dbraw/zinc/43/54/42/567435442.db2.gz NYCLIRPBXYDMDC-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238878 567435448 /nfs/dbraw/zinc/43/54/48/567435448.db2.gz NYCLIRPBXYDMDC-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238878 567435453 /nfs/dbraw/zinc/43/54/53/567435453.db2.gz NYCLIRPBXYDMDC-RDTXWAMCSA-N 2 2 380.330 3.194 20 0 GGADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000593727015 567437663 /nfs/dbraw/zinc/43/76/63/567437663.db2.gz ADZWOQIYHRCLPB-CYBMUJFWSA-N 2 2 378.685 3.422 20 0 GGADLP C[N@@H+]1CC[C@H](NC(=O)c2cc3c(s2)CC[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000662513139 567443400 /nfs/dbraw/zinc/44/34/00/567443400.db2.gz ZJIGSWOZXZHRKI-MAUKXSAKSA-N 2 2 375.925 3.222 20 0 GGADLP C[N@H+]1CC[C@H](NC(=O)c2cc3c(s2)CC[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000662513139 567443404 /nfs/dbraw/zinc/44/34/04/567443404.db2.gz ZJIGSWOZXZHRKI-MAUKXSAKSA-N 2 2 375.925 3.222 20 0 GGADLP C[N@@H+]1CC[C@H](NC(=O)c2cc3c(s2)CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000662513141 567443617 /nfs/dbraw/zinc/44/36/17/567443617.db2.gz ZJIGSWOZXZHRKI-YJBOKZPZSA-N 2 2 375.925 3.222 20 0 GGADLP C[N@H+]1CC[C@H](NC(=O)c2cc3c(s2)CC[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000662513141 567443625 /nfs/dbraw/zinc/44/36/25/567443625.db2.gz ZJIGSWOZXZHRKI-YJBOKZPZSA-N 2 2 375.925 3.222 20 0 GGADLP C[NH+](C)Cc1csc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)n1 ZINC000457283184 567453654 /nfs/dbraw/zinc/45/36/54/567453654.db2.gz CPZGVHLTPFLPAN-UHFFFAOYSA-N 2 2 376.551 3.006 20 0 GGADLP C[C@H]1C[C@H]([NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c2ccsc2S1 ZINC000641785932 567457470 /nfs/dbraw/zinc/45/74/70/567457470.db2.gz GSMUFFNXWKFVGH-BQFCYCMXSA-N 2 2 381.611 3.060 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2ncc(Br)cn2)CC1 ZINC000550714561 567458540 /nfs/dbraw/zinc/45/85/40/567458540.db2.gz YYPUUJTZEQAUHQ-HNNXBMFYSA-N 2 2 399.377 3.371 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ncc(Br)cn2)CC1 ZINC000550714561 567458546 /nfs/dbraw/zinc/45/85/46/567458546.db2.gz YYPUUJTZEQAUHQ-HNNXBMFYSA-N 2 2 399.377 3.371 20 0 GGADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3c(cc(Cl)cc3Cl)[nH]2)CC1 ZINC000478487094 567460794 /nfs/dbraw/zinc/46/07/94/567460794.db2.gz HKWKQQSCBICJPC-UHFFFAOYSA-N 2 2 383.323 3.231 20 0 GGADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Br ZINC000502999211 567463796 /nfs/dbraw/zinc/46/37/96/567463796.db2.gz VXIGDFQKJOARJI-FQEVSTJZSA-N 2 2 389.337 3.484 20 0 GGADLP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Br ZINC000502999211 567463798 /nfs/dbraw/zinc/46/37/98/567463798.db2.gz VXIGDFQKJOARJI-FQEVSTJZSA-N 2 2 389.337 3.484 20 0 GGADLP O=S(=O)(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1cc(Cl)ccc1Cl ZINC000570211667 567466631 /nfs/dbraw/zinc/46/66/31/567466631.db2.gz ASFPRHKRZSLMBU-CQSZACIVSA-N 2 2 391.364 3.089 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3oc4ccccc4c3Br)C2)CC1 ZINC000594601371 567490485 /nfs/dbraw/zinc/49/04/85/567490485.db2.gz KQEBCRBYFKLWHM-HNNXBMFYSA-N 2 2 392.341 3.407 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3oc4ccccc4c3Br)C2)CC1 ZINC000594601371 567490492 /nfs/dbraw/zinc/49/04/92/567490492.db2.gz KQEBCRBYFKLWHM-HNNXBMFYSA-N 2 2 392.341 3.407 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000663303281 567493168 /nfs/dbraw/zinc/49/31/68/567493168.db2.gz DJLVDKCEYBGCJG-DOMZBBRYSA-N 2 2 386.323 3.163 20 0 GGADLP Brc1ccc2[nH+]ccc(NCc3cc[nH+]c(N4CCOCC4)c3)c2c1 ZINC000503576858 567495521 /nfs/dbraw/zinc/49/55/21/567495521.db2.gz SQHBWXHPKHKXRV-UHFFFAOYSA-N 2 2 399.292 3.263 20 0 GGADLP Brc1ccn2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)nc2c1 ZINC000663344203 567497352 /nfs/dbraw/zinc/49/73/52/567497352.db2.gz PEAUXXNGNQPNQZ-HNNXBMFYSA-N 2 2 377.330 3.308 20 0 GGADLP Brc1ccn2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)nc2c1 ZINC000663344203 567497360 /nfs/dbraw/zinc/49/73/60/567497360.db2.gz PEAUXXNGNQPNQZ-HNNXBMFYSA-N 2 2 377.330 3.308 20 0 GGADLP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@@H]2C[N@H+](C)CCN2C)C1 ZINC000479059944 567498828 /nfs/dbraw/zinc/49/88/28/567498828.db2.gz MAVQRHIPZAGQQQ-BJZITVGISA-N 2 2 380.374 3.298 20 0 GGADLP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000479059944 567498834 /nfs/dbraw/zinc/49/88/34/567498834.db2.gz MAVQRHIPZAGQQQ-BJZITVGISA-N 2 2 380.374 3.298 20 0 GGADLP Cc1nc(NCc2ccc(OCC[NH+](C)C)cc2)c(Br)c(C)[nH+]1 ZINC000663394648 567504211 /nfs/dbraw/zinc/50/42/11/567504211.db2.gz SPALMCBXOJPQRG-UHFFFAOYSA-N 2 2 379.302 3.408 20 0 GGADLP COC[C@]1(C[NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CCC[NH2+]1 ZINC000643531974 567511239 /nfs/dbraw/zinc/51/12/39/567511239.db2.gz LFHPNFVMLBTLRA-RCCFBDPRSA-N 2 2 383.330 3.027 20 0 GGADLP Cc1c([C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)nnn1-c1cccc(Br)c1 ZINC000643521502 567511944 /nfs/dbraw/zinc/51/19/44/567511944.db2.gz MTMDUBRYGLVOLF-DOMZBBRYSA-N 2 2 378.318 3.131 20 0 GGADLP COC[C@]1(C[NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CCC[NH2+]1 ZINC000643531972 567512190 /nfs/dbraw/zinc/51/21/90/567512190.db2.gz LFHPNFVMLBTLRA-KZNAEPCWSA-N 2 2 383.330 3.027 20 0 GGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479286505 567522021 /nfs/dbraw/zinc/52/20/21/567522021.db2.gz RHFQHWNJCOWFEA-IINYFYTJSA-N 2 2 381.236 3.185 20 0 GGADLP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Br)cc1C(F)(F)F ZINC000479286505 567522026 /nfs/dbraw/zinc/52/20/26/567522026.db2.gz RHFQHWNJCOWFEA-IINYFYTJSA-N 2 2 381.236 3.185 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)CC1 ZINC000479329799 567524666 /nfs/dbraw/zinc/52/46/66/567524666.db2.gz VWNDAADDIHNDLZ-NSHDSACASA-N 2 2 394.368 3.166 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529533452 567526745 /nfs/dbraw/zinc/52/67/45/567526745.db2.gz WGGKSRYDLIDZJS-CQSZACIVSA-N 2 2 390.753 3.430 20 0 GGADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(Cl)cc2Br)C1 ZINC000529533452 567526747 /nfs/dbraw/zinc/52/67/47/567526747.db2.gz WGGKSRYDLIDZJS-CQSZACIVSA-N 2 2 390.753 3.430 20 0 GGADLP Clc1ccc(I)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000594948224 567528776 /nfs/dbraw/zinc/52/87/76/567528776.db2.gz XHZHNUUVFWDIHJ-GFCCVEGCSA-N 2 2 387.652 3.246 20 0 GGADLP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CCC[C@H]([S@](C)=O)C3)c[nH+]c12 ZINC000594958996 567529308 /nfs/dbraw/zinc/52/93/08/567529308.db2.gz BURBLJBYOYKDNI-OXDBHQQFSA-N 2 2 384.343 3.185 20 0 GGADLP Cc1nc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c(Br)c(C)[nH+]1 ZINC000663786946 567530128 /nfs/dbraw/zinc/53/01/28/567530128.db2.gz CTCPPOYYQPCJOA-MRXNPFEDSA-N 2 2 391.313 3.035 20 0 GGADLP Cc1nc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(Br)c(C)[nH+]1 ZINC000663786946 567530133 /nfs/dbraw/zinc/53/01/33/567530133.db2.gz CTCPPOYYQPCJOA-MRXNPFEDSA-N 2 2 391.313 3.035 20 0 GGADLP Cc1nc(N2CCC(CCC[NH+]3CCOCC3)CC2)c(Br)c(C)[nH+]1 ZINC000663781271 567530662 /nfs/dbraw/zinc/53/06/62/567530662.db2.gz QTJICDZPLOOVMG-UHFFFAOYSA-N 2 2 397.361 3.185 20 0 GGADLP C[C@H]([NH2+]C[C@@H]1CC(=O)N(C)[C@H]1c1[nH+]ccn1C)c1ccccc1Br ZINC000551726214 567533257 /nfs/dbraw/zinc/53/32/57/567533257.db2.gz UQYTVFNTFWHCFQ-GDZNZVCISA-N 2 2 391.313 3.053 20 0 GGADLP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c(Br)c1 ZINC000551800036 567535616 /nfs/dbraw/zinc/53/56/16/567535616.db2.gz BOWFDCGURRTZTL-UHFFFAOYSA-N 2 2 383.330 3.446 20 0 GGADLP COC(=O)[C@H](c1ccccc1Br)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000595295700 567551793 /nfs/dbraw/zinc/55/17/93/567551793.db2.gz PNSFYQDSDWIFSM-KRWDZBQOSA-N 2 2 383.330 3.327 20 0 GGADLP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cc(Br)c(Cl)s2)CC1 ZINC000480358746 567598251 /nfs/dbraw/zinc/59/82/51/567598251.db2.gz BOJMSLKEVRZCGV-LLVKDONJSA-N 2 2 381.767 3.346 20 0 GGADLP O=C(CC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1)Nc1ccc(Br)cc1 ZINC000644549786 567558516 /nfs/dbraw/zinc/55/85/16/567558516.db2.gz KSWHCKKVQLXCGM-INIZCTEOSA-N 2 2 380.330 3.384 20 0 GGADLP O=C(CC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1)Nc1ccc(Br)cc1 ZINC000644549786 567558517 /nfs/dbraw/zinc/55/85/17/567558517.db2.gz KSWHCKKVQLXCGM-INIZCTEOSA-N 2 2 380.330 3.384 20 0 GGADLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]CCC(=O)Nc1ccc(Br)cc1)CCC2 ZINC000644605948 567564173 /nfs/dbraw/zinc/56/41/73/567564173.db2.gz CNNFTSSNTNVJOP-CQSZACIVSA-N 2 2 391.313 3.450 20 0 GGADLP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000505370878 567572388 /nfs/dbraw/zinc/57/23/88/567572388.db2.gz RVNHUXUBQDCYSB-YOEHRIQHSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000505371627 567572575 /nfs/dbraw/zinc/57/25/75/567572575.db2.gz WQVZBTLVZWEJTJ-FHLIZLRMSA-N 2 2 394.357 3.185 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000505371627 567572578 /nfs/dbraw/zinc/57/25/78/567572578.db2.gz WQVZBTLVZWEJTJ-FHLIZLRMSA-N 2 2 394.357 3.185 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@@H+]1C ZINC000505371631 567573181 /nfs/dbraw/zinc/57/31/81/567573181.db2.gz WQVZBTLVZWEJTJ-OLMNPRSZSA-N 2 2 394.357 3.185 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000505371631 567573189 /nfs/dbraw/zinc/57/31/89/567573189.db2.gz WQVZBTLVZWEJTJ-OLMNPRSZSA-N 2 2 394.357 3.185 20 0 GGADLP Ic1ccc2c(c1)[C@H]([NH2+]CC[NH+]1CCCC1)CCCO2 ZINC000480016768 567576008 /nfs/dbraw/zinc/57/60/08/567576008.db2.gz GVWAGAYLVCBJFF-OAHLLOKOSA-N 2 2 386.277 3.190 20 0 GGADLP Cc1c([C@H](C)[NH2+]CCC[NH+]2CCCC2)nnn1-c1cccc(Br)c1 ZINC000480164528 567584861 /nfs/dbraw/zinc/58/48/61/567584861.db2.gz XQTKBWSXTQTWIW-AWEZNQCLSA-N 2 2 392.345 3.475 20 0 GGADLP CSCCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000439465481 567589453 /nfs/dbraw/zinc/58/94/53/567589453.db2.gz FKYIVINQLKAHJL-GOSISDBHSA-N 2 2 383.989 3.278 20 0 GGADLP CSCCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000439465481 567589457 /nfs/dbraw/zinc/58/94/57/567589457.db2.gz FKYIVINQLKAHJL-GOSISDBHSA-N 2 2 383.989 3.278 20 0 GGADLP COC(=O)[C@@H](c1ccccc1Br)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000595895581 567590194 /nfs/dbraw/zinc/59/01/94/567590194.db2.gz PQLNKROWVDESLC-IAGOWNOFSA-N 2 2 381.314 3.127 20 0 GGADLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000571965846 567602859 /nfs/dbraw/zinc/60/28/59/567602859.db2.gz CSBQNKJTXKEISF-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(Br)cncc2Br)C1 ZINC000571965846 567602867 /nfs/dbraw/zinc/60/28/67/567602867.db2.gz CSBQNKJTXKEISF-NSHDSACASA-N 2 2 391.151 3.428 20 0 GGADLP CC[N@H+](CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)CCC(F)(F)F ZINC000572058300 567609646 /nfs/dbraw/zinc/60/96/46/567609646.db2.gz UFGCZOFCPDCZHT-HNNXBMFYSA-N 2 2 379.854 3.333 20 0 GGADLP CC[N@@H+](CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)CCC(F)(F)F ZINC000572058300 567609652 /nfs/dbraw/zinc/60/96/52/567609652.db2.gz UFGCZOFCPDCZHT-HNNXBMFYSA-N 2 2 379.854 3.333 20 0 GGADLP C[N@@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)C2)C1 ZINC000645187800 567611779 /nfs/dbraw/zinc/61/17/79/567611779.db2.gz TUQDUVAMRLEYAP-LJQANCHMSA-N 2 2 384.351 3.070 20 0 GGADLP C[N@H+]1CCC[C@@]2(CC[NH+](CC(=O)NCCc3cccc(Cl)c3Cl)C2)C1 ZINC000645187800 567611788 /nfs/dbraw/zinc/61/17/88/567611788.db2.gz TUQDUVAMRLEYAP-LJQANCHMSA-N 2 2 384.351 3.070 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@H+](CC(=O)NCCc3cccc(Cl)c3Cl)C2)C1 ZINC000645187800 567611791 /nfs/dbraw/zinc/61/17/91/567611791.db2.gz TUQDUVAMRLEYAP-LJQANCHMSA-N 2 2 384.351 3.070 20 0 GGADLP C[NH+]1CCC[C@@]2(CC[N@@H+](CC(=O)NCCc3cccc(Cl)c3Cl)C2)C1 ZINC000645187800 567611798 /nfs/dbraw/zinc/61/17/98/567611798.db2.gz TUQDUVAMRLEYAP-LJQANCHMSA-N 2 2 384.351 3.070 20 0 GGADLP Cc1c([C@H](C)[NH2+]CC2([NH3+])CCCC2)nnn1-c1cccc(Br)c1 ZINC000665249282 567614023 /nfs/dbraw/zinc/61/40/23/567614023.db2.gz MKWTVSMFFNTKBZ-LBPRGKRZSA-N 2 2 378.318 3.260 20 0 GGADLP Oc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1Br ZINC000459331051 567615309 /nfs/dbraw/zinc/61/53/09/567615309.db2.gz UTFYWVALQPTJPW-UHFFFAOYSA-N 2 2 383.330 3.089 20 0 GGADLP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1Cl ZINC000665292564 567617435 /nfs/dbraw/zinc/61/74/35/567617435.db2.gz CRZMYKNHVJOIBN-CYBMUJFWSA-N 2 2 385.693 3.298 20 0 GGADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccc(Br)cc2Cl)C2CC2)n1 ZINC000665293165 567617534 /nfs/dbraw/zinc/61/75/34/567617534.db2.gz UBXKITOXXGORCT-MRXNPFEDSA-N 2 2 397.704 3.298 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2Br)[C@@H](C)C1 ZINC000459414030 567622622 /nfs/dbraw/zinc/62/26/22/567622622.db2.gz OCYJSKJNLZUNTP-HOCLYGCPSA-N 2 2 385.346 3.381 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(O)c2Br)[C@@H](C)C1 ZINC000459414030 567622627 /nfs/dbraw/zinc/62/26/27/567622627.db2.gz OCYJSKJNLZUNTP-HOCLYGCPSA-N 2 2 385.346 3.381 20 0 GGADLP Cc1cc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2=O)ccc1Br ZINC000459472822 567627113 /nfs/dbraw/zinc/62/71/13/567627113.db2.gz CNBFKJKSJIRPAE-GOSISDBHSA-N 2 2 392.341 3.079 20 0 GGADLP Oc1cccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1Br ZINC000459460666 567627724 /nfs/dbraw/zinc/62/77/24/567627724.db2.gz IWPOSRCWOGVXQZ-UHFFFAOYSA-N 2 2 397.357 3.479 20 0 GGADLP CCO[C@@H]1C[C@@H]([NH2+]CCc2cn3cc(Br)cc(C)c3[nH+]2)[C@@H]1SC ZINC000459492317 567629222 /nfs/dbraw/zinc/62/92/22/567629222.db2.gz WMKFIXQYINXQDR-OAGGEKHMSA-N 2 2 398.370 3.446 20 0 GGADLP Cc1cc(N2CCC([NH2+]Cc3cccc(O)c3Br)CC2)nc(C)[nH+]1 ZINC000459480822 567629547 /nfs/dbraw/zinc/62/95/47/567629547.db2.gz PMOVWFCVHPDXME-UHFFFAOYSA-N 2 2 391.313 3.320 20 0 GGADLP CC[N@@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000531141126 567643517 /nfs/dbraw/zinc/64/35/17/567643517.db2.gz YJPXDSFWJGFYNI-NVXWUHKLSA-N 2 2 396.373 3.212 20 0 GGADLP CC[N@H+]1CC[C@@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000531141126 567643521 /nfs/dbraw/zinc/64/35/21/567643521.db2.gz YJPXDSFWJGFYNI-NVXWUHKLSA-N 2 2 396.373 3.212 20 0 GGADLP CC[NH+]1CC[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000531141126 567643526 /nfs/dbraw/zinc/64/35/26/567643526.db2.gz YJPXDSFWJGFYNI-NVXWUHKLSA-N 2 2 396.373 3.212 20 0 GGADLP CC[NH+]1CC[C@@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C ZINC000531141126 567643529 /nfs/dbraw/zinc/64/35/29/567643529.db2.gz YJPXDSFWJGFYNI-NVXWUHKLSA-N 2 2 396.373 3.212 20 0 GGADLP CC[N@@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000531141129 567643837 /nfs/dbraw/zinc/64/38/37/567643837.db2.gz YJPXDSFWJGFYNI-RDJZCZTQSA-N 2 2 396.373 3.212 20 0 GGADLP CC[N@H+]1CC[C@H]([NH+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000531141129 567643841 /nfs/dbraw/zinc/64/38/41/567643841.db2.gz YJPXDSFWJGFYNI-RDJZCZTQSA-N 2 2 396.373 3.212 20 0 GGADLP CC[NH+]1CC[C@H]([N@H+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000531141129 567643849 /nfs/dbraw/zinc/64/38/49/567643849.db2.gz YJPXDSFWJGFYNI-RDJZCZTQSA-N 2 2 396.373 3.212 20 0 GGADLP CC[NH+]1CC[C@H]([N@@H+](C)CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C ZINC000531141129 567643854 /nfs/dbraw/zinc/64/38/54/567643854.db2.gz YJPXDSFWJGFYNI-RDJZCZTQSA-N 2 2 396.373 3.212 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(C)c2)CC1 ZINC000459663454 567649107 /nfs/dbraw/zinc/64/91/07/567649107.db2.gz ORKGEAVQKNMEIJ-UHFFFAOYSA-N 2 2 383.330 3.265 20 0 GGADLP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccs1 ZINC000506917505 567649988 /nfs/dbraw/zinc/64/99/88/567649988.db2.gz NWYGCKSHVPWYNV-UHFFFAOYSA-N 2 2 375.563 3.367 20 0 GGADLP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1cccs1 ZINC000506917505 567649990 /nfs/dbraw/zinc/64/99/90/567649990.db2.gz NWYGCKSHVPWYNV-UHFFFAOYSA-N 2 2 375.563 3.367 20 0 GGADLP Cc1cc(Br)cn2c(CN3C[C@@H]([NH+]4CCCC4)C[C@H]3C)c[nH+]c12 ZINC000573018398 567682656 /nfs/dbraw/zinc/68/26/56/567682656.db2.gz MVKCPSFMYGJABW-ZBFHGGJFSA-N 2 2 377.330 3.464 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000531994638 567692048 /nfs/dbraw/zinc/69/20/48/567692048.db2.gz FQKRIMUQQSKOFG-FZKQIMNGSA-N 2 2 385.961 3.093 20 0 GGADLP Brc1ccccc1C[NH+]1CCC([N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC000623239748 567693819 /nfs/dbraw/zinc/69/38/19/567693819.db2.gz RKMKSPSUNXVLPG-UHFFFAOYSA-N 2 2 375.314 3.195 20 0 GGADLP Brc1ccccc1C[NH+]1CCC([N@H+]2CCc3n[nH]cc3C2)CC1 ZINC000623239748 567693822 /nfs/dbraw/zinc/69/38/22/567693822.db2.gz RKMKSPSUNXVLPG-UHFFFAOYSA-N 2 2 375.314 3.195 20 0 GGADLP COc1c(Br)cc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1Br ZINC000666768781 567703107 /nfs/dbraw/zinc/70/31/07/567703107.db2.gz MQUHTUJBHJQYIG-LLVKDONJSA-N 2 2 392.135 3.452 20 0 GGADLP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769680 567703493 /nfs/dbraw/zinc/70/34/93/567703493.db2.gz BAUVLDOWNSDFCB-INIZCTEOSA-N 2 2 377.330 3.483 20 0 GGADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000442763088 567706743 /nfs/dbraw/zinc/70/67/43/567706743.db2.gz CURVMISWFJPUHU-UWVGGRQHSA-N 2 2 394.235 3.076 20 0 GGADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000442763088 567706748 /nfs/dbraw/zinc/70/67/48/567706748.db2.gz CURVMISWFJPUHU-UWVGGRQHSA-N 2 2 394.235 3.076 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000623420726 567708404 /nfs/dbraw/zinc/70/84/04/567708404.db2.gz MYFKLKMWSDHMBQ-QAPCUYQASA-N 2 2 384.362 3.379 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)c(Br)cn2)[C@H](C)C1 ZINC000623420726 567708408 /nfs/dbraw/zinc/70/84/08/567708408.db2.gz MYFKLKMWSDHMBQ-QAPCUYQASA-N 2 2 384.362 3.379 20 0 GGADLP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ncc1Br ZINC000623453275 567711624 /nfs/dbraw/zinc/71/16/24/567711624.db2.gz HETZNENXSPGISN-QZTJIDSGSA-N 2 2 382.346 3.010 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000666946460 567713933 /nfs/dbraw/zinc/71/39/33/567713933.db2.gz DDGCETKSEUWMHG-NHCYSSNCSA-N 2 2 381.801 3.366 20 0 GGADLP CCCOc1c(Br)cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc1OC ZINC000666943539 567714001 /nfs/dbraw/zinc/71/40/01/567714001.db2.gz WVUWPWPUJHVBQM-STQMWFEESA-N 2 2 375.282 3.036 20 0 GGADLP CCOc1cc(C[NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)cc(Br)c1OC(F)F ZINC000666945343 567714566 /nfs/dbraw/zinc/71/45/66/567714566.db2.gz LBUFJURGCSDFHH-QWRGUYRKSA-N 2 2 397.235 3.239 20 0 GGADLP CC[N@H+](CC(=O)NCC1(SC)CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000460978100 567715113 /nfs/dbraw/zinc/71/51/13/567715113.db2.gz HUNXDYGUZSWQEY-UHFFFAOYSA-N 2 2 383.989 3.106 20 0 GGADLP CC[N@@H+](CC(=O)NCC1(SC)CC[NH+](C)CC1)Cc1ccccc1Cl ZINC000460978100 567715117 /nfs/dbraw/zinc/71/51/17/567715117.db2.gz HUNXDYGUZSWQEY-UHFFFAOYSA-N 2 2 383.989 3.106 20 0 GGADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCCCn1cc[nH+]c1 ZINC000532449325 567717468 /nfs/dbraw/zinc/71/74/68/567717468.db2.gz KEEYDFJUGCKYQH-AWEZNQCLSA-N 2 2 379.302 3.433 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000532476099 567718536 /nfs/dbraw/zinc/71/85/36/567718536.db2.gz GZEJJQVSJDCKQJ-OAHLLOKOSA-N 2 2 391.357 3.461 20 0 GGADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000532476099 567718539 /nfs/dbraw/zinc/71/85/39/567718539.db2.gz GZEJJQVSJDCKQJ-OAHLLOKOSA-N 2 2 391.357 3.461 20 0 GGADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646479912 567720377 /nfs/dbraw/zinc/72/03/77/567720377.db2.gz AWNMKKAAPNGWIN-OLMNPRSZSA-N 2 2 394.357 3.137 20 0 GGADLP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000646479913 567720442 /nfs/dbraw/zinc/72/04/42/567720442.db2.gz AWNMKKAAPNGWIN-ZTFGCOKTSA-N 2 2 394.357 3.137 20 0 GGADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1sccc1Br ZINC000532507590 567720483 /nfs/dbraw/zinc/72/04/83/567720483.db2.gz MMMBHVPVCACSEZ-GFCCVEGCSA-N 2 2 388.375 3.104 20 0 GGADLP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)nnn1-c1cccc(Br)c1 ZINC000573555931 567722282 /nfs/dbraw/zinc/72/22/82/567722282.db2.gz YWJHAXHDMKGEJN-SWLSCSKDSA-N 2 2 378.318 3.131 20 0 GGADLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000623656994 567729635 /nfs/dbraw/zinc/72/96/35/567729635.db2.gz HJFUHDKTRQRYRB-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ncc(Br)cc2Br)C1 ZINC000623656994 567729638 /nfs/dbraw/zinc/72/96/38/567729638.db2.gz HJFUHDKTRQRYRB-LLVKDONJSA-N 2 2 391.151 3.428 20 0 GGADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000532741121 567732198 /nfs/dbraw/zinc/73/21/98/567732198.db2.gz GUHWBGLLNDPZSA-UHFFFAOYSA-N 2 2 380.374 3.440 20 0 GGADLP CC(C)[NH+]1CCC([NH+]2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000532741121 567732201 /nfs/dbraw/zinc/73/22/01/567732201.db2.gz GUHWBGLLNDPZSA-UHFFFAOYSA-N 2 2 380.374 3.440 20 0 GGADLP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000508516697 567752008 /nfs/dbraw/zinc/75/20/08/567752008.db2.gz RGJFKORACLHLQV-OAHLLOKOSA-N 2 2 377.330 3.408 20 0 GGADLP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000508516697 567752013 /nfs/dbraw/zinc/75/20/13/567752013.db2.gz RGJFKORACLHLQV-OAHLLOKOSA-N 2 2 377.330 3.408 20 0 GGADLP C[NH+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000508516697 567752019 /nfs/dbraw/zinc/75/20/19/567752019.db2.gz RGJFKORACLHLQV-OAHLLOKOSA-N 2 2 377.330 3.408 20 0 GGADLP C[NH+](Cc1cnn(-c2ccc(Br)cc2)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508516697 567752024 /nfs/dbraw/zinc/75/20/24/567752024.db2.gz RGJFKORACLHLQV-OAHLLOKOSA-N 2 2 377.330 3.408 20 0 GGADLP CC[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@H]1[NH3+] ZINC000647008534 567754490 /nfs/dbraw/zinc/75/44/90/567754490.db2.gz PZLLUKTWDIUQTN-ZTFGCOKTSA-N 2 2 394.357 3.172 20 0 GGADLP CC[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC[C@@H]1[NH3+] ZINC000647008531 567754633 /nfs/dbraw/zinc/75/46/33/567754633.db2.gz PZLLUKTWDIUQTN-FHLIZLRMSA-N 2 2 394.357 3.172 20 0 GGADLP Cc1[nH+]cc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)n1C ZINC000667567377 567756748 /nfs/dbraw/zinc/75/67/48/567756748.db2.gz XLMLMWLBVZTFDG-UHFFFAOYSA-N 2 2 391.313 3.342 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)c(Cl)c1 ZINC000624086585 567759005 /nfs/dbraw/zinc/75/90/05/567759005.db2.gz MORGZHPJHCCZLL-ABAIWWIYSA-N 2 2 388.737 3.093 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O)c1ccc(Br)c(Cl)c1 ZINC000624086585 567759013 /nfs/dbraw/zinc/75/90/13/567759013.db2.gz MORGZHPJHCCZLL-ABAIWWIYSA-N 2 2 388.737 3.093 20 0 GGADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4cc(Br)ccc4o3)CC2)C1 ZINC000667615548 567761451 /nfs/dbraw/zinc/76/14/51/567761451.db2.gz SSSNUWLMSLUJHY-KRWDZBQOSA-N 2 2 392.341 3.407 20 0 GGADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4cc(Br)ccc4o3)CC2)C1 ZINC000667615548 567761459 /nfs/dbraw/zinc/76/14/59/567761459.db2.gz SSSNUWLMSLUJHY-KRWDZBQOSA-N 2 2 392.341 3.407 20 0 GGADLP C[N@H+](C[C@H](O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000574322718 567772606 /nfs/dbraw/zinc/77/26/06/567772606.db2.gz NWFPYEBBAWXFCJ-QZTJIDSGSA-N 2 2 385.321 3.474 20 0 GGADLP C[N@@H+](C[C@H](O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1)C1CC1 ZINC000574322718 567772607 /nfs/dbraw/zinc/77/26/07/567772607.db2.gz NWFPYEBBAWXFCJ-QZTJIDSGSA-N 2 2 385.321 3.474 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccccc2Br)CC1 ZINC000533558992 567775663 /nfs/dbraw/zinc/77/56/63/567775663.db2.gz XZEYQLUDTQPEGE-CQSZACIVSA-N 2 2 382.346 3.042 20 0 GGADLP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2Br)CC1 ZINC000533558992 567775667 /nfs/dbraw/zinc/77/56/67/567775667.db2.gz XZEYQLUDTQPEGE-CQSZACIVSA-N 2 2 382.346 3.042 20 0 GGADLP C[C@H](CNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1)[NH+]1CCCC1 ZINC000533568903 567777002 /nfs/dbraw/zinc/77/70/02/567777002.db2.gz AERDGKKQCCVUET-QAPCUYQASA-N 2 2 394.357 3.187 20 0 GGADLP Cc1cc(Br)cn2c(CN3CC[C@@H]([NH+]4CCCC4)[C@@H]3C)c[nH+]c12 ZINC000574606717 567787388 /nfs/dbraw/zinc/78/73/88/567787388.db2.gz ODWBGCZFQGZUQT-WMLDXEAASA-N 2 2 377.330 3.464 20 0 GGADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000647492337 567788448 /nfs/dbraw/zinc/78/84/48/567788448.db2.gz CSFPYPPERYCDAL-UHFFFAOYSA-N 2 2 385.364 3.454 20 0 GGADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cc(Cl)ccc2Cl)cs1 ZINC000647492337 567788444 /nfs/dbraw/zinc/78/84/44/567788444.db2.gz CSFPYPPERYCDAL-UHFFFAOYSA-N 2 2 385.364 3.454 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647499039 567788482 /nfs/dbraw/zinc/78/84/82/567788482.db2.gz XJVMRIZBDHDCDH-YOEHRIQHSA-N 2 2 385.346 3.424 20 0 GGADLP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647499039 567788485 /nfs/dbraw/zinc/78/84/85/567788485.db2.gz XJVMRIZBDHDCDH-YOEHRIQHSA-N 2 2 385.346 3.424 20 0 GGADLP C[N@H+](Cc1cc(Br)ccc1OCc1ccccn1)C1CC([NH3+])C1 ZINC000647544867 567790393 /nfs/dbraw/zinc/79/03/93/567790393.db2.gz WEWMZILLZVYLMV-UHFFFAOYSA-N 2 2 376.298 3.345 20 0 GGADLP C[N@@H+](Cc1cc(Br)ccc1OCc1ccccn1)C1CC([NH3+])C1 ZINC000647544867 567790395 /nfs/dbraw/zinc/79/03/95/567790395.db2.gz WEWMZILLZVYLMV-UHFFFAOYSA-N 2 2 376.298 3.345 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542936 567790878 /nfs/dbraw/zinc/79/08/78/567790878.db2.gz DXHGOPRMOJKPNR-JKSUJKDBSA-N 2 2 384.973 3.345 20 0 GGADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542936 567790880 /nfs/dbraw/zinc/79/08/80/567790880.db2.gz DXHGOPRMOJKPNR-JKSUJKDBSA-N 2 2 384.973 3.345 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000574813145 567798304 /nfs/dbraw/zinc/79/83/04/567798304.db2.gz RHVGZEUQEZFFFC-ZBFHGGJFSA-N 2 2 394.357 3.406 20 0 GGADLP FC(F)C[NH+]1CCC(C[NH2+]Cc2ccc(I)cc2)CC1 ZINC000598918440 567798954 /nfs/dbraw/zinc/79/89/54/567798954.db2.gz DFRFLRONEBBPRT-UHFFFAOYSA-N 2 2 394.247 3.358 20 0 GGADLP Cc1[nH+]cc(C[N@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)n1C ZINC000668175885 567799080 /nfs/dbraw/zinc/79/90/80/567799080.db2.gz BOWLUIVDUVCGIZ-INIZCTEOSA-N 2 2 375.822 3.350 20 0 GGADLP Cc1[nH+]cc(C[N@@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)n1C ZINC000668175885 567799082 /nfs/dbraw/zinc/79/90/82/567799082.db2.gz BOWLUIVDUVCGIZ-INIZCTEOSA-N 2 2 375.822 3.350 20 0 GGADLP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCS1 ZINC000534134605 567801614 /nfs/dbraw/zinc/80/16/14/567801614.db2.gz RCPSLRXTRNWEAO-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)CCS1 ZINC000534134605 567801616 /nfs/dbraw/zinc/80/16/16/567801616.db2.gz RCPSLRXTRNWEAO-CRAIPNDOSA-N 2 2 381.973 3.030 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647971886 567808227 /nfs/dbraw/zinc/80/82/27/567808227.db2.gz YJQILFOBOYXPTL-IIDMSEBBSA-N 2 2 382.335 3.198 20 0 GGADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000647971886 567808233 /nfs/dbraw/zinc/80/82/33/567808233.db2.gz YJQILFOBOYXPTL-IIDMSEBBSA-N 2 2 382.335 3.198 20 0 GGADLP C[NH+](C)[C@@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(Cl)c1 ZINC000534525521 567813541 /nfs/dbraw/zinc/81/35/41/567813541.db2.gz ZGBITEHPRNEVNH-GOSISDBHSA-N 2 2 377.941 3.349 20 0 GGADLP C[NH+](C)[C@H](C(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(Cl)c1 ZINC000534525522 567813738 /nfs/dbraw/zinc/81/37/38/567813738.db2.gz ZGBITEHPRNEVNH-SFHVURJKSA-N 2 2 377.941 3.349 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000534579918 567814459 /nfs/dbraw/zinc/81/44/59/567814459.db2.gz GUWGGJKUNITOEG-SNVBAGLBSA-N 2 2 394.298 3.284 20 0 GGADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000534579918 567814461 /nfs/dbraw/zinc/81/44/61/567814461.db2.gz GUWGGJKUNITOEG-SNVBAGLBSA-N 2 2 394.298 3.284 20 0 GGADLP Cc1cc(N2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)ncc1Br ZINC000534603149 567814885 /nfs/dbraw/zinc/81/48/85/567814885.db2.gz PDRKXPPOCUSGRZ-UHFFFAOYSA-N 2 2 381.362 3.147 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc4cc(Cl)ccc4s3)C2)CC1 ZINC000668639373 567815195 /nfs/dbraw/zinc/81/51/95/567815195.db2.gz HQHLCWGIPGRCCR-OAHLLOKOSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc4cc(Cl)ccc4s3)C2)CC1 ZINC000668639373 567815197 /nfs/dbraw/zinc/81/51/97/567815197.db2.gz HQHLCWGIPGRCCR-OAHLLOKOSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4cc(Cl)ccc4s3)C2)CC1 ZINC000668639370 567815260 /nfs/dbraw/zinc/81/52/60/567815260.db2.gz HQHLCWGIPGRCCR-HNNXBMFYSA-N 2 2 377.941 3.453 20 0 GGADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc4cc(Cl)ccc4s3)C2)CC1 ZINC000668639370 567815261 /nfs/dbraw/zinc/81/52/61/567815261.db2.gz HQHLCWGIPGRCCR-HNNXBMFYSA-N 2 2 377.941 3.453 20 0 GGADLP Cc1cc(N2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)nc(C(C)C)[nH+]1 ZINC000022199973 570307336 /nfs/dbraw/zinc/30/73/36/570307336.db2.gz IUMYJUOOHXSIBE-UHFFFAOYSA-N 2 2 385.487 3.198 20 0 GGADLP CC[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030224496 570487255 /nfs/dbraw/zinc/48/72/55/570487255.db2.gz CCUKKOYTCJPPGT-SFHVURJKSA-N 2 2 384.549 3.191 20 0 GGADLP CC[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000030224496 570487259 /nfs/dbraw/zinc/48/72/59/570487259.db2.gz CCUKKOYTCJPPGT-SFHVURJKSA-N 2 2 384.549 3.191 20 0 GGADLP CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000225798094 570618046 /nfs/dbraw/zinc/61/80/46/570618046.db2.gz NCNNRGPRGJDVBS-HSZRJFAPSA-N 2 2 395.547 3.046 20 0 GGADLP CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCOCC1)[N@@H+](C)Cc1ccccc1 ZINC000225798094 570618051 /nfs/dbraw/zinc/61/80/51/570618051.db2.gz NCNNRGPRGJDVBS-HSZRJFAPSA-N 2 2 395.547 3.046 20 0 GGADLP C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000044735651 570976821 /nfs/dbraw/zinc/97/68/21/570976821.db2.gz QMMOIWKZAJGVAS-MRXNPFEDSA-N 2 2 386.927 3.411 20 0 GGADLP C[N@H+](Cc1ccccc1)[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000821614805 599081195 /nfs/dbraw/zinc/08/11/95/599081195.db2.gz VPIYZMGHWDPJKV-KRWDZBQOSA-N 2 2 385.475 3.126 20 0 GGADLP C[N@@H+](Cc1ccccc1)[C@H]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC000821614805 599081197 /nfs/dbraw/zinc/08/11/97/599081197.db2.gz VPIYZMGHWDPJKV-KRWDZBQOSA-N 2 2 385.475 3.126 20 0 GGADLP c1cc2[nH+]ccc(N3CCC[N@@H+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)c2s1 ZINC000738412647 599325021 /nfs/dbraw/zinc/32/50/21/599325021.db2.gz DZYYFXWPKXGEHT-UHFFFAOYSA-N 2 2 391.504 3.189 20 0 GGADLP c1cc2[nH+]ccc(N3CCC[N@H+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)c2s1 ZINC000738412647 599325023 /nfs/dbraw/zinc/32/50/23/599325023.db2.gz DZYYFXWPKXGEHT-UHFFFAOYSA-N 2 2 391.504 3.189 20 0 GGADLP Cc1cccc(C)c1C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000737386352 599582547 /nfs/dbraw/zinc/58/25/47/599582547.db2.gz BYNHUEGSLWRPIQ-UHFFFAOYSA-N 2 2 399.502 3.354 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CC[NH+](CCCC(=O)[O-])CC1 ZINC000833629459 605224508 /nfs/dbraw/zinc/22/45/08/605224508.db2.gz IXPZDPHPGCNKNA-RTBURBONSA-N 2 2 387.568 3.062 20 0 GGADLP CCCC[N@H+](C)CC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821060670 606458923 /nfs/dbraw/zinc/45/89/23/606458923.db2.gz HZDBBHRWNJUFSH-UHFFFAOYSA-N 2 2 379.512 3.363 20 0 GGADLP CCCC[N@@H+](C)CC1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821060670 606458925 /nfs/dbraw/zinc/45/89/25/606458925.db2.gz HZDBBHRWNJUFSH-UHFFFAOYSA-N 2 2 379.512 3.363 20 0 GGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820420465 607086883 /nfs/dbraw/zinc/08/68/83/607086883.db2.gz RJMZGTYGHJFKNM-INIZCTEOSA-N 2 2 391.523 3.252 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)cc1F ZINC000826330880 609137315 /nfs/dbraw/zinc/13/73/15/609137315.db2.gz LWNBBNKEGFIWFW-LBPRGKRZSA-N 2 2 395.417 3.490 20 0 GGADLP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824236218 609255970 /nfs/dbraw/zinc/25/59/70/609255970.db2.gz NEYGFRRXVFXYJI-LEWJYISDSA-N 2 2 398.555 3.014 20 0 GGADLP C[N@H+](CCCCc1ccccc1)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053083961 1406284247 /nfs/dbraw/zinc/28/42/47/1406284247.db2.gz BZTWWBAQWYWPBI-UHFFFAOYSA-N 2 2 380.536 3.075 20 0 GGADLP C[N@@H+](CCCCc1ccccc1)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000053083961 1406284260 /nfs/dbraw/zinc/28/42/60/1406284260.db2.gz BZTWWBAQWYWPBI-UHFFFAOYSA-N 2 2 380.536 3.075 20 0 GGADLP O=C(CC[N@@H+]1CCC[C@@H]1CCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053182565 1406318441 /nfs/dbraw/zinc/31/84/41/1406318441.db2.gz QBZIDGLBZKGEEP-JOCHJYFZSA-N 2 2 392.547 3.218 20 0 GGADLP O=C(CC[N@H+]1CCC[C@@H]1CCc1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053182565 1406318455 /nfs/dbraw/zinc/31/84/55/1406318455.db2.gz QBZIDGLBZKGEEP-JOCHJYFZSA-N 2 2 392.547 3.218 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)N(CC(C)C)C3CC[NH+](C)CC3)cn2c1 ZINC000053232238 1406335591 /nfs/dbraw/zinc/33/55/91/1406335591.db2.gz QXSKMUHRJFXMBE-UHFFFAOYSA-N 2 2 388.581 3.455 20 0 GGADLP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000053523138 1406425073 /nfs/dbraw/zinc/42/50/73/1406425073.db2.gz OUOVLCHSIPRUKV-UHFFFAOYSA-N 2 2 385.556 3.102 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1cccc(F)c1 ZINC000053539025 1406433418 /nfs/dbraw/zinc/43/34/18/1406433418.db2.gz UPAWBKRPCLIWDZ-LJQANCHMSA-N 2 2 390.528 3.017 20 0 GGADLP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000054717323 1406811797 /nfs/dbraw/zinc/81/17/97/1406811797.db2.gz YBLMKLDIXLZXHJ-NQIIRXRSSA-N 2 2 393.535 3.317 20 0 GGADLP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000054717323 1406811798 /nfs/dbraw/zinc/81/17/98/1406811798.db2.gz YBLMKLDIXLZXHJ-NQIIRXRSSA-N 2 2 393.535 3.317 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000054725997 1406814290 /nfs/dbraw/zinc/81/42/90/1406814290.db2.gz ZGIBPNYLIWFDGU-HDICACEKSA-N 2 2 387.572 3.238 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000054725997 1406814291 /nfs/dbraw/zinc/81/42/91/1406814291.db2.gz ZGIBPNYLIWFDGU-HDICACEKSA-N 2 2 387.572 3.238 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC000054726476 1406814360 /nfs/dbraw/zinc/81/43/60/1406814360.db2.gz PIDZAANAWPBBMR-RTBURBONSA-N 2 2 397.567 3.487 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1 ZINC000054726006 1406814505 /nfs/dbraw/zinc/81/45/05/1406814505.db2.gz ZGIBPNYLIWFDGU-QZTJIDSGSA-N 2 2 387.572 3.238 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)C1 ZINC000054727694 1406815217 /nfs/dbraw/zinc/81/52/17/1406815217.db2.gz UFBIDAIOPVLWLG-RTBURBONSA-N 2 2 397.567 3.487 20 0 GGADLP COc1ccc([C@@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)[NH+]2CCCC2)cc1 ZINC000024049559 1399598487 /nfs/dbraw/zinc/59/84/87/1399598487.db2.gz KGVVODFDDNVCMB-JOCHJYFZSA-N 2 2 390.487 3.448 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000024050741 1399599165 /nfs/dbraw/zinc/59/91/65/1399599165.db2.gz LMDHBHLMGCXCDX-UHFFFAOYSA-N 2 2 375.476 3.185 20 0 GGADLP O=C(C[N@H+](Cc1ccccc1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025219308 1399773088 /nfs/dbraw/zinc/77/30/88/1399773088.db2.gz CALHDLUAKVUERI-UHFFFAOYSA-N 2 2 379.504 3.122 20 0 GGADLP O=C(C[N@@H+](Cc1ccccc1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000025219308 1399773090 /nfs/dbraw/zinc/77/30/90/1399773090.db2.gz CALHDLUAKVUERI-UHFFFAOYSA-N 2 2 379.504 3.122 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025446036 1399809431 /nfs/dbraw/zinc/80/94/31/1399809431.db2.gz SSIOZKALUXRXAZ-QFIPXVFZSA-N 2 2 381.495 3.307 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000025446036 1399809433 /nfs/dbraw/zinc/80/94/33/1399809433.db2.gz SSIOZKALUXRXAZ-QFIPXVFZSA-N 2 2 381.495 3.307 20 0 GGADLP COc1ccc([C@H](C)[N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000030006200 1400397078 /nfs/dbraw/zinc/39/70/78/1400397078.db2.gz AREJPNSVDVHWDL-IBGZPJMESA-N 2 2 381.520 3.032 20 0 GGADLP COc1ccc([C@H](C)[N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000030006200 1400397082 /nfs/dbraw/zinc/39/70/82/1400397082.db2.gz AREJPNSVDVHWDL-IBGZPJMESA-N 2 2 381.520 3.032 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NCc3cccc(C[NH+](C)C)c3)cn2c1 ZINC000042753197 1400409581 /nfs/dbraw/zinc/40/95/81/1400409581.db2.gz IXPWKMSEQPKXNL-UHFFFAOYSA-N 2 2 382.533 3.254 20 0 GGADLP COc1ccc([C@@H](CNC(=O)NCCCNc2cccc[nH+]2)[NH+]2CCCC2)cc1 ZINC000043111068 1403710482 /nfs/dbraw/zinc/71/04/82/1403710482.db2.gz QWQQFDCHVBUCFM-HXUWFJFHSA-N 2 2 397.523 3.029 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000043167777 1403723498 /nfs/dbraw/zinc/72/34/98/1403723498.db2.gz PXYMJTODPJAWIE-FQEVSTJZSA-N 2 2 393.491 3.161 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000043167776 1403723950 /nfs/dbraw/zinc/72/39/50/1403723950.db2.gz PXYMJTODPJAWIE-HXUWFJFHSA-N 2 2 393.491 3.161 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000043179383 1403726247 /nfs/dbraw/zinc/72/62/47/1403726247.db2.gz XZSVWBYKMUZOOE-ROUUACIJSA-N 2 2 388.556 3.290 20 0 GGADLP CC[N@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)s1 ZINC000044850405 1404011750 /nfs/dbraw/zinc/01/17/50/1404011750.db2.gz ITOMSJVACIPBGE-UHFFFAOYSA-N 2 2 392.956 3.357 20 0 GGADLP CC[N@@H+](CCC(=O)N1CCN(c2cccc[nH+]2)CC1)Cc1ccc(Cl)s1 ZINC000044850405 1404011759 /nfs/dbraw/zinc/01/17/59/1404011759.db2.gz ITOMSJVACIPBGE-UHFFFAOYSA-N 2 2 392.956 3.357 20 0 GGADLP C[NH+](C)C[C@H](NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccccc1 ZINC000045185062 1404069592 /nfs/dbraw/zinc/06/95/92/1404069592.db2.gz GYADVTGZMPFQFA-NRFANRHFSA-N 2 2 377.492 3.034 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccsc1 ZINC000045606102 1404158558 /nfs/dbraw/zinc/15/85/58/1404158558.db2.gz UAVQZSCQZQGAKV-LJQANCHMSA-N 2 2 383.521 3.095 20 0 GGADLP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000045640091 1404168297 /nfs/dbraw/zinc/16/82/97/1404168297.db2.gz VHHFVCIFGBCNIQ-QGZVFWFLSA-N 2 2 377.492 3.494 20 0 GGADLP C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000056629191 1407385793 /nfs/dbraw/zinc/38/57/93/1407385793.db2.gz HCQAHXGHZVJYLC-GUDVDZBRSA-N 2 2 388.556 3.292 20 0 GGADLP COc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(OC)c1 ZINC000045806537 1404211386 /nfs/dbraw/zinc/21/13/86/1404211386.db2.gz VZLYEQHZFWNRLE-UHFFFAOYSA-N 2 2 389.540 3.230 20 0 GGADLP C[N@H+](CCCc1ccccc1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000046087899 1404294361 /nfs/dbraw/zinc/29/43/61/1404294361.db2.gz AFOAFRRUXDFMOV-UHFFFAOYSA-N 2 2 381.520 3.022 20 0 GGADLP C[N@@H+](CCCc1ccccc1)CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000046087899 1404294367 /nfs/dbraw/zinc/29/43/67/1404294367.db2.gz AFOAFRRUXDFMOV-UHFFFAOYSA-N 2 2 381.520 3.022 20 0 GGADLP CC(C)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)[NH+]1CCC(C)CC1 ZINC000046254187 1404347116 /nfs/dbraw/zinc/34/71/16/1404347116.db2.gz ZSTQCEOCWBMLQH-QFIPXVFZSA-N 2 2 397.567 3.487 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000046312712 1404360123 /nfs/dbraw/zinc/36/01/23/1404360123.db2.gz PSUIZTREZMFCDS-OAQYLSRUSA-N 2 2 383.540 3.241 20 0 GGADLP CC1CC[NH+](CCNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000046369917 1404387778 /nfs/dbraw/zinc/38/77/78/1404387778.db2.gz NQCSRHCLHWSOKV-KDURUIRLSA-N 2 2 388.556 3.149 20 0 GGADLP CC1CC[NH+](CCNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000046369917 1404387791 /nfs/dbraw/zinc/38/77/91/1404387791.db2.gz NQCSRHCLHWSOKV-KDURUIRLSA-N 2 2 388.556 3.149 20 0 GGADLP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)C(C)(C)C ZINC000046469237 1404429954 /nfs/dbraw/zinc/42/99/54/1404429954.db2.gz FSDNKLZIWQEKHB-HXUWFJFHSA-N 2 2 398.555 3.180 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCCNc2cccc[nH+]2)C1 ZINC000047501161 1404852972 /nfs/dbraw/zinc/85/29/72/1404852972.db2.gz IBZFEHCTJUZQJW-SFHVURJKSA-N 2 2 381.524 3.225 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCNc2cccc[nH+]2)C1 ZINC000047501161 1404852974 /nfs/dbraw/zinc/85/29/74/1404852974.db2.gz IBZFEHCTJUZQJW-SFHVURJKSA-N 2 2 381.524 3.225 20 0 GGADLP CC1CC[NH+]([C@H](CNC(=O)NCCNc2cccc[nH+]2)c2cccs2)CC1 ZINC000047501266 1404853077 /nfs/dbraw/zinc/85/30/77/1404853077.db2.gz XQYSCTXCOSQEBG-QGZVFWFLSA-N 2 2 387.553 3.327 20 0 GGADLP CCC[N@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000176272556 1428212792 /nfs/dbraw/zinc/21/27/92/1428212792.db2.gz IIIZMNPSKMQUIN-DENIHFKCSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[N@@H+](C)C[C@H]1CC[NH+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000176272556 1428212811 /nfs/dbraw/zinc/21/28/11/1428212811.db2.gz IIIZMNPSKMQUIN-DENIHFKCSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000176272556 1428212830 /nfs/dbraw/zinc/21/28/30/1428212830.db2.gz IIIZMNPSKMQUIN-DENIHFKCSA-N 2 2 387.568 3.413 20 0 GGADLP CCC[NH+](C)C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)C1 ZINC000176272556 1428212850 /nfs/dbraw/zinc/21/28/50/1428212850.db2.gz IIIZMNPSKMQUIN-DENIHFKCSA-N 2 2 387.568 3.413 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)c1cccc(F)c1 ZINC000047935846 1405002452 /nfs/dbraw/zinc/00/24/52/1405002452.db2.gz KLNJYWZKGDDSRZ-OAQYLSRUSA-N 2 2 395.482 3.173 20 0 GGADLP C[C@@H](Cn1cc[nH+]c1)NC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000047988701 1405019592 /nfs/dbraw/zinc/01/95/92/1405019592.db2.gz YAUQEMHBGZAVGD-MAUKXSAKSA-N 2 2 375.904 3.061 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000048270815 1405123512 /nfs/dbraw/zinc/12/35/12/1405123512.db2.gz XIOHRFVGJOMSHB-HDICACEKSA-N 2 2 388.581 3.360 20 0 GGADLP Cc1ccc2[nH+]c(CSCC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cn2c1 ZINC000048270815 1405123528 /nfs/dbraw/zinc/12/35/28/1405123528.db2.gz XIOHRFVGJOMSHB-HDICACEKSA-N 2 2 388.581 3.360 20 0 GGADLP CC(=O)Nc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000048745826 1405280184 /nfs/dbraw/zinc/28/01/84/1405280184.db2.gz DEWCCMRCZCWHQA-UHFFFAOYSA-N 2 2 394.563 3.333 20 0 GGADLP COc1cc2c(cc1C[NH2+]Cc1cccc(C[NH+]3CCOCC3)c1)O[C@@H](C)C2 ZINC000048745592 1405280267 /nfs/dbraw/zinc/28/02/67/1405280267.db2.gz QLIWMFYXGDXVCG-KRWDZBQOSA-N 2 2 382.504 3.141 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=S)Nc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000050254763 1405532917 /nfs/dbraw/zinc/53/29/17/1405532917.db2.gz SHBUTFNODMYYTR-UHFFFAOYSA-N 2 2 398.523 3.133 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000050797231 1405654869 /nfs/dbraw/zinc/65/48/69/1405654869.db2.gz RJPAZJBWEYUPID-UHFFFAOYSA-N 2 2 386.927 3.177 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(F)(F)c3cccc(Cl)c3)CC2)CC1 ZINC000050797466 1405655107 /nfs/dbraw/zinc/65/51/07/1405655107.db2.gz SKFRLXVZWQUHLD-UHFFFAOYSA-N 2 2 385.886 3.107 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Oc4cccnc4)cc3)CC2)CC1 ZINC000050796922 1405655257 /nfs/dbraw/zinc/65/52/57/1405655257.db2.gz LCLSHOLCJXKICW-UHFFFAOYSA-N 2 2 394.519 3.162 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)c3ccc(Cl)cc3)CC2)CC1 ZINC000050797335 1405655457 /nfs/dbraw/zinc/65/54/57/1405655457.db2.gz GBXXIKWFAFBKRO-UHFFFAOYSA-N 2 2 377.960 3.292 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C3(c4ccccc4F)CCCC3)CC2)CC1 ZINC000050798702 1405657168 /nfs/dbraw/zinc/65/71/68/1405657168.db2.gz ZQLZNTXLNSGXHJ-UHFFFAOYSA-N 2 2 387.543 3.312 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)CC1 ZINC000050797840 1405657438 /nfs/dbraw/zinc/65/74/38/1405657438.db2.gz PIBUHTFDLNBWNB-LSDHHAIUSA-N 2 2 375.479 3.030 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@H]3c3ccccc3Cl)CC2)CC1 ZINC000050800005 1405657964 /nfs/dbraw/zinc/65/79/64/1405657964.db2.gz MQVIZEVMORRNGE-OALUTQOASA-N 2 2 375.944 3.118 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4ccccc4F)o3)CC2)CC1 ZINC000050801659 1405659507 /nfs/dbraw/zinc/65/95/07/1405659507.db2.gz LEJHWKRDSOWTRT-UHFFFAOYSA-N 2 2 385.483 3.374 20 0 GGADLP CC(C)CCOc1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000050801801 1405660233 /nfs/dbraw/zinc/66/02/33/1405660233.db2.gz UKHPSDTWYKJKMK-UHFFFAOYSA-N 2 2 387.568 3.400 20 0 GGADLP COc1cc(Cl)c(C)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051235974 1405751850 /nfs/dbraw/zinc/75/18/50/1405751850.db2.gz CLLNYSPBXSDVJT-UHFFFAOYSA-N 2 2 394.947 3.337 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1C ZINC000051333995 1405786750 /nfs/dbraw/zinc/78/67/50/1405786750.db2.gz CAGBYNQQFMSGTN-UHFFFAOYSA-N 2 2 396.535 3.433 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1C ZINC000051333995 1405786758 /nfs/dbraw/zinc/78/67/58/1405786758.db2.gz CAGBYNQQFMSGTN-UHFFFAOYSA-N 2 2 396.535 3.433 20 0 GGADLP COc1cccc(C[N@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000051324874 1405787619 /nfs/dbraw/zinc/78/76/19/1405787619.db2.gz HUPIVBIOATXSFR-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1cccc(C[N@@H+](C)CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000051324874 1405787628 /nfs/dbraw/zinc/78/76/28/1405787628.db2.gz HUPIVBIOATXSFR-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1cccc(C[NH+](C)CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000051324874 1405787642 /nfs/dbraw/zinc/78/76/42/1405787642.db2.gz HUPIVBIOATXSFR-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1cccc(C[NH+](C)CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)c1 ZINC000051324874 1405787651 /nfs/dbraw/zinc/78/76/51/1405787651.db2.gz HUPIVBIOATXSFR-UHFFFAOYSA-N 2 2 395.547 3.170 20 0 GGADLP COc1ccccc1C[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051372855 1405799134 /nfs/dbraw/zinc/79/91/34/1405799134.db2.gz GBWAWNJEASTHFP-UHFFFAOYSA-N 2 2 395.547 3.216 20 0 GGADLP COc1ccccc1C[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051372855 1405799138 /nfs/dbraw/zinc/79/91/38/1405799138.db2.gz GBWAWNJEASTHFP-UHFFFAOYSA-N 2 2 395.547 3.216 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1C ZINC000051755439 1405860307 /nfs/dbraw/zinc/86/03/07/1405860307.db2.gz ZIWYKYGMRYHVMA-KRWDZBQOSA-N 2 2 388.537 3.405 20 0 GGADLP C[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1Cl ZINC000051759639 1405860459 /nfs/dbraw/zinc/86/04/59/1405860459.db2.gz HKUGXQGWXOMPAF-HNNXBMFYSA-N 2 2 378.948 3.259 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)c1C ZINC000051756006 1405860482 /nfs/dbraw/zinc/86/04/82/1405860482.db2.gz UTQSLKASHDKELY-UHFFFAOYSA-N 2 2 388.487 3.120 20 0 GGADLP CN(Cc1ccccc1Cl)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051759775 1405860592 /nfs/dbraw/zinc/86/05/92/1405860592.db2.gz ARAHDYKESOCMBY-UHFFFAOYSA-N 2 2 378.948 3.040 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C ZINC000051755832 1405860789 /nfs/dbraw/zinc/86/07/89/1405860789.db2.gz PUDAREDSBGGAMB-HZPDHXFCSA-N 2 2 376.545 3.264 20 0 GGADLP CC(C)[C@@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051760142 1405861007 /nfs/dbraw/zinc/86/10/07/1405861007.db2.gz XLQJHDDYVDTUPI-JOCHJYFZSA-N 2 2 386.584 3.284 20 0 GGADLP CC[C@H]1c2ccsc2CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760169 1405861024 /nfs/dbraw/zinc/86/10/24/1405861024.db2.gz QZEXRJZXXYOARQ-IBGZPJMESA-N 2 2 390.597 3.326 20 0 GGADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1OC ZINC000051760846 1405861073 /nfs/dbraw/zinc/86/10/73/1405861073.db2.gz VKIGNRUHPTXXML-FQEVSTJZSA-N 2 2 388.556 3.004 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@H]12 ZINC000051765980 1405861087 /nfs/dbraw/zinc/86/10/87/1405861087.db2.gz OOMHFQXPSLNOBR-QIJUGHKUSA-N 2 2 385.552 3.358 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCCC[C@H]12 ZINC000051765980 1405861090 /nfs/dbraw/zinc/86/10/90/1405861090.db2.gz OOMHFQXPSLNOBR-QIJUGHKUSA-N 2 2 385.552 3.358 20 0 GGADLP CC(C)[C@H](CNC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000051760145 1405861110 /nfs/dbraw/zinc/86/11/10/1405861110.db2.gz XLQJHDDYVDTUPI-QFIPXVFZSA-N 2 2 386.584 3.284 20 0 GGADLP CCN(Cc1cccc(Cl)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000051760678 1405861161 /nfs/dbraw/zinc/86/11/61/1405861161.db2.gz ABPQKXDVNCIFKK-UHFFFAOYSA-N 2 2 392.975 3.430 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3c3cccc(F)c3)CC2)CC1 ZINC000051761541 1405861369 /nfs/dbraw/zinc/86/13/69/1405861369.db2.gz QDSBYYJXBRYGEY-NRFANRHFSA-N 2 2 388.531 3.231 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]3c3cccc(F)c3)CC2)CC1 ZINC000051761538 1405861415 /nfs/dbraw/zinc/86/14/15/1405861415.db2.gz QDSBYYJXBRYGEY-OAQYLSRUSA-N 2 2 388.531 3.231 20 0 GGADLP Cc1cccc([C@@H]2CCCN2C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000051777799 1405862455 /nfs/dbraw/zinc/86/24/55/1405862455.db2.gz WLSWBMGUUYAEOZ-QFIPXVFZSA-N 2 2 384.568 3.400 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]3C3CCCCC3)CC2)CC1 ZINC000051777852 1405862710 /nfs/dbraw/zinc/86/27/10/1405862710.db2.gz LDBMGKMCBYDDJQ-NRFANRHFSA-N 2 2 376.589 3.299 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N(CC3CCCCC3)C3CC3)CC2)CC1 ZINC000051777813 1405862754 /nfs/dbraw/zinc/86/27/54/1405862754.db2.gz AQAOFXGTVZIZPM-UHFFFAOYSA-N 2 2 376.589 3.299 20 0 GGADLP C/C=C/c1ccc(OC[C@H](O)C[NH+]2CCC([NH+]3CCCCC3)CC2)c(OC)c1 ZINC000052003930 1405896508 /nfs/dbraw/zinc/89/65/08/1405896508.db2.gz DKCNWKPFGKNXCR-ZGHBNVOCSA-N 2 2 388.552 3.418 20 0 GGADLP Cc1cc([C@H]2CCC[N@@H+]2CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)on1 ZINC000052010927 1405897703 /nfs/dbraw/zinc/89/77/03/1405897703.db2.gz JFSYZQKYYAAZCZ-OAQYLSRUSA-N 2 2 396.535 3.163 20 0 GGADLP Cc1cc([C@H]2CCC[N@H+]2CC(=O)N2CCC[NH+](Cc3ccc(C)cc3)CC2)on1 ZINC000052010927 1405897707 /nfs/dbraw/zinc/89/77/07/1405897707.db2.gz JFSYZQKYYAAZCZ-OAQYLSRUSA-N 2 2 396.535 3.163 20 0 GGADLP Cc1cc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)on1 ZINC000052010927 1405897709 /nfs/dbraw/zinc/89/77/09/1405897709.db2.gz JFSYZQKYYAAZCZ-OAQYLSRUSA-N 2 2 396.535 3.163 20 0 GGADLP Cc1cc([C@H]2CCC[NH+]2CC(=O)N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)on1 ZINC000052010927 1405897713 /nfs/dbraw/zinc/89/77/13/1405897713.db2.gz JFSYZQKYYAAZCZ-OAQYLSRUSA-N 2 2 396.535 3.163 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](Cc2ccccn2)C(C)C)CC1 ZINC000052218557 1405990702 /nfs/dbraw/zinc/99/07/02/1405990702.db2.gz GVTKTDDLIOFCBI-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](Cc2ccccn2)C(C)C)CC1 ZINC000052218557 1405990707 /nfs/dbraw/zinc/99/07/07/1405990707.db2.gz GVTKTDDLIOFCBI-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](Cc2ccccn2)C(C)C)CC1 ZINC000052218557 1405990715 /nfs/dbraw/zinc/99/07/15/1405990715.db2.gz GVTKTDDLIOFCBI-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](Cc2ccccn2)C(C)C)CC1 ZINC000052218557 1405990735 /nfs/dbraw/zinc/99/07/35/1405990735.db2.gz GVTKTDDLIOFCBI-UHFFFAOYSA-N 2 2 394.563 3.335 20 0 GGADLP C[C@H]1CCC[C@](CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)([NH+](C)C)C1 ZINC000052522466 1406072691 /nfs/dbraw/zinc/07/26/91/1406072691.db2.gz IFXQXAUWMHWRPJ-CVDCTZTESA-N 2 2 397.567 3.284 20 0 GGADLP C[C@H]1CCC[C@@](CNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)([NH+](C)C)C1 ZINC000052524120 1406074089 /nfs/dbraw/zinc/07/40/89/1406074089.db2.gz MYHOISNRRWNUON-PGRDOPGGSA-N 2 2 383.540 3.241 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)NCCCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000052554189 1406081205 /nfs/dbraw/zinc/08/12/05/1406081205.db2.gz AXMYLKCIQOJHHL-HXUWFJFHSA-N 2 2 399.539 3.198 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)c1cccc(F)c1 ZINC000056894453 1407468391 /nfs/dbraw/zinc/46/83/91/1407468391.db2.gz QPSIHTTYVTXBNR-FQEVSTJZSA-N 2 2 381.455 3.114 20 0 GGADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCc2ccccc2-n2cc[nH+]c2)C1 ZINC000056895415 1407469162 /nfs/dbraw/zinc/46/91/62/1407469162.db2.gz IPLZOCWLLGVIIB-OALUTQOASA-N 2 2 383.540 3.430 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@@H+]1CCc2ccccc2C1 ZINC000056895632 1407469450 /nfs/dbraw/zinc/46/94/50/1407469450.db2.gz KOUWDWCUWZQMIQ-SFHVURJKSA-N 2 2 389.503 3.118 20 0 GGADLP C[C@@H](CNC(=O)NCc1ccccc1-n1cc[nH+]c1)[N@H+]1CCc2ccccc2C1 ZINC000056895632 1407469456 /nfs/dbraw/zinc/46/94/56/1407469456.db2.gz KOUWDWCUWZQMIQ-SFHVURJKSA-N 2 2 389.503 3.118 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895901 1407469561 /nfs/dbraw/zinc/46/95/61/1407469561.db2.gz KAHGRRYXXPJQJF-UHFFFAOYSA-N 2 2 395.482 3.285 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)NCCNc1cccc[nH+]1)[NH+]1CCCCC1 ZINC000056933694 1407477304 /nfs/dbraw/zinc/47/73/04/1407477304.db2.gz CLWPLKAPSBXWOJ-LJQANCHMSA-N 2 2 397.523 3.029 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1)c1ccc(F)cc1 ZINC000056934722 1407478101 /nfs/dbraw/zinc/47/81/01/1407478101.db2.gz PDGHWENBFOEPPE-NRFANRHFSA-N 2 2 395.482 3.173 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2ccsc2)CC1)c1ccc(F)cc1 ZINC000056937534 1407478850 /nfs/dbraw/zinc/47/88/50/1407478850.db2.gz ACLFRORERISGAG-LJQANCHMSA-N 2 2 390.528 3.017 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000057153588 1407537398 /nfs/dbraw/zinc/53/73/98/1407537398.db2.gz PKSFQCTZESLXSE-NRFANRHFSA-N 2 2 378.520 3.210 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000057153588 1407537407 /nfs/dbraw/zinc/53/74/07/1407537407.db2.gz PKSFQCTZESLXSE-NRFANRHFSA-N 2 2 378.520 3.210 20 0 GGADLP Cc1cccc(N2CCC(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000176335887 1428252008 /nfs/dbraw/zinc/25/20/08/1428252008.db2.gz CCSWPTHWQDLXJQ-OAQYLSRUSA-N 2 2 396.510 3.279 20 0 GGADLP Cc1cccc(N2CCC(NC(=O)[C@H]3CCC[N@H+]3Cc3ccc(F)cc3)CC2)[nH+]1 ZINC000176335887 1428252013 /nfs/dbraw/zinc/25/20/13/1428252013.db2.gz CCSWPTHWQDLXJQ-OAQYLSRUSA-N 2 2 396.510 3.279 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1C ZINC000057607024 1407663284 /nfs/dbraw/zinc/66/32/84/1407663284.db2.gz SCOXQZNWMGQGKA-LJQANCHMSA-N 2 2 384.524 3.021 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c1C ZINC000057616730 1407667488 /nfs/dbraw/zinc/66/74/88/1407667488.db2.gz BJJGXRQNUVGGCY-IBGZPJMESA-N 2 2 388.487 3.290 20 0 GGADLP CC1CC[NH+]([C@H](CNC(=O)NCCNc2cccc[nH+]2)c2ccccc2)CC1 ZINC000057795772 1407719571 /nfs/dbraw/zinc/71/95/71/1407719571.db2.gz KSVJDENDQAXEQU-HXUWFJFHSA-N 2 2 381.524 3.266 20 0 GGADLP C[C@@H]1CCC[C@@](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)([NH+](C)C)C1 ZINC000057819898 1407728615 /nfs/dbraw/zinc/72/86/15/1407728615.db2.gz BDLZEBKJEOKINI-XMSQKQJNSA-N 2 2 383.540 3.241 20 0 GGADLP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000057835870 1407733327 /nfs/dbraw/zinc/73/33/27/1407733327.db2.gz HETIQSVRNPJDSP-JOCHJYFZSA-N 2 2 381.520 3.193 20 0 GGADLP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000057835870 1407733334 /nfs/dbraw/zinc/73/33/34/1407733334.db2.gz HETIQSVRNPJDSP-JOCHJYFZSA-N 2 2 381.520 3.193 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000058482831 1407835354 /nfs/dbraw/zinc/83/53/54/1407835354.db2.gz VSSHDGUPSTWYJR-INIZCTEOSA-N 2 2 376.526 3.213 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccccc2N2CC[NH+](C)CC2)c1C ZINC000058514404 1407839265 /nfs/dbraw/zinc/83/92/65/1407839265.db2.gz YHQQJHIIXSCZLS-UHFFFAOYSA-N 2 2 397.523 3.123 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H]2CCCC[C@H]12 ZINC000058577289 1407846881 /nfs/dbraw/zinc/84/68/81/1407846881.db2.gz SPQKALREILZFGV-RLLQIKCJSA-N 2 2 375.582 3.293 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@H]2CCCC[C@H]12 ZINC000058577289 1407846887 /nfs/dbraw/zinc/84/68/87/1407846887.db2.gz SPQKALREILZFGV-RLLQIKCJSA-N 2 2 375.582 3.293 20 0 GGADLP CC(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CC1 ZINC000058877747 1407892628 /nfs/dbraw/zinc/89/26/28/1407892628.db2.gz AIOMAQPRACEDJI-FQEVSTJZSA-N 2 2 375.582 3.013 20 0 GGADLP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1Cl ZINC000060242040 1407948788 /nfs/dbraw/zinc/94/87/88/1407948788.db2.gz DJBCQDRQVVSUAI-UHFFFAOYSA-N 2 2 379.932 3.021 20 0 GGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000060242052 1407949272 /nfs/dbraw/zinc/94/92/72/1407949272.db2.gz FQKURHCWELJQRA-UHFFFAOYSA-N 2 2 379.932 3.021 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1C ZINC000060558616 1408001922 /nfs/dbraw/zinc/00/19/22/1408001922.db2.gz BBHFEMWXWFFKFO-BTYIYWSLSA-N 2 2 376.545 3.359 20 0 GGADLP C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000176379981 1428286230 /nfs/dbraw/zinc/28/62/30/1428286230.db2.gz NMLJUXJHBCNONL-UHFFFAOYSA-N 2 2 387.553 3.017 20 0 GGADLP Cc1cc(C)cc(C[C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000176381928 1428287077 /nfs/dbraw/zinc/28/70/77/1428287077.db2.gz PJGJYFLLSDTICW-LJQANCHMSA-N 2 2 386.584 3.092 20 0 GGADLP C[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000176383013 1428288516 /nfs/dbraw/zinc/28/85/16/1428288516.db2.gz PKCDSXLQELQXGD-CVDCTZTESA-N 2 2 398.595 3.380 20 0 GGADLP C[C@H]1CN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC[C@H]1c1ccccc1 ZINC000176383048 1428288630 /nfs/dbraw/zinc/28/86/30/1428288630.db2.gz PKCDSXLQELQXGD-WMZHIEFXSA-N 2 2 398.595 3.380 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccco1 ZINC000061790600 1408177160 /nfs/dbraw/zinc/17/71/60/1408177160.db2.gz MUFZPUIOVODYPO-GOSISDBHSA-N 2 2 388.537 3.253 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000062477706 1408264934 /nfs/dbraw/zinc/26/49/34/1408264934.db2.gz DEHKREDIWIXHOH-UHFFFAOYSA-N 2 2 399.514 3.094 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCc1ccccc1-n1cc[nH+]c1 ZINC000062500832 1408270381 /nfs/dbraw/zinc/27/03/81/1408270381.db2.gz XFFVQBKWMBHWMT-UHFFFAOYSA-N 2 2 395.482 3.285 20 0 GGADLP O=C(NCc1ccc(Cn2cc[nH+]c2)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063332273 1408338885 /nfs/dbraw/zinc/33/88/85/1408338885.db2.gz HCILIUODKZYVMK-UHFFFAOYSA-N 2 2 395.551 3.385 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000063333179 1408339513 /nfs/dbraw/zinc/33/95/13/1408339513.db2.gz IAKHQKJUPYKUAP-UHFFFAOYSA-N 2 2 385.556 3.136 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[NH+](C(C)C)C3)c2C1 ZINC000063693992 1408392467 /nfs/dbraw/zinc/39/24/67/1408392467.db2.gz FCSZQKBYZJXHTA-SFHVURJKSA-N 2 2 394.563 3.463 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[NH+](C(C)C)C3)c2C1 ZINC000063693992 1408392470 /nfs/dbraw/zinc/39/24/70/1408392470.db2.gz FCSZQKBYZJXHTA-SFHVURJKSA-N 2 2 394.563 3.463 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)c2C1 ZINC000063693992 1408392477 /nfs/dbraw/zinc/39/24/77/1408392477.db2.gz FCSZQKBYZJXHTA-SFHVURJKSA-N 2 2 394.563 3.463 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)c2C1 ZINC000063693992 1408392484 /nfs/dbraw/zinc/39/24/84/1408392484.db2.gz FCSZQKBYZJXHTA-SFHVURJKSA-N 2 2 394.563 3.463 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000064228501 1408515810 /nfs/dbraw/zinc/51/58/10/1408515810.db2.gz KIOSLLINKAXBPG-UHFFFAOYSA-N 2 2 377.492 3.323 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000064228501 1408515819 /nfs/dbraw/zinc/51/58/19/1408515819.db2.gz KIOSLLINKAXBPG-UHFFFAOYSA-N 2 2 377.492 3.323 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000176477276 1428333087 /nfs/dbraw/zinc/33/30/87/1428333087.db2.gz DVQUJQRJNBWVRW-UHFFFAOYSA-N 2 2 387.572 3.204 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000176477276 1428333096 /nfs/dbraw/zinc/33/30/96/1428333096.db2.gz DVQUJQRJNBWVRW-UHFFFAOYSA-N 2 2 387.572 3.204 20 0 GGADLP CC[C@H](C)[C@@H](C)[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000064808964 1408614124 /nfs/dbraw/zinc/61/41/24/1408614124.db2.gz QMUDNRHHPFQRKX-RBUKOAKNSA-N 2 2 387.568 3.034 20 0 GGADLP CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000064808964 1408614128 /nfs/dbraw/zinc/61/41/28/1408614128.db2.gz QMUDNRHHPFQRKX-RBUKOAKNSA-N 2 2 387.568 3.034 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)[NH+](C)C)cc1 ZINC000065466251 1408672924 /nfs/dbraw/zinc/67/29/24/1408672924.db2.gz JCILYBIXBHROMK-NRFANRHFSA-N 2 2 395.551 3.482 20 0 GGADLP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000065520314 1408683165 /nfs/dbraw/zinc/68/31/65/1408683165.db2.gz BKIVSXNUJGUQJY-CEXWTWQISA-N 2 2 388.556 3.148 20 0 GGADLP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000065520314 1408683169 /nfs/dbraw/zinc/68/31/69/1408683169.db2.gz BKIVSXNUJGUQJY-CEXWTWQISA-N 2 2 388.556 3.148 20 0 GGADLP CC(C)[NH+]1CC[C@H](CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000065520314 1408683172 /nfs/dbraw/zinc/68/31/72/1408683172.db2.gz BKIVSXNUJGUQJY-CEXWTWQISA-N 2 2 388.556 3.148 20 0 GGADLP CC(C)[NH+]1CC[C@H](CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000065520314 1408683176 /nfs/dbraw/zinc/68/31/76/1408683176.db2.gz BKIVSXNUJGUQJY-CEXWTWQISA-N 2 2 388.556 3.148 20 0 GGADLP C[N@H+](CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Cc1ccccc1 ZINC000065540926 1408685632 /nfs/dbraw/zinc/68/56/32/1408685632.db2.gz DYQDIIMVRYEDMQ-UHFFFAOYSA-N 2 2 381.524 3.003 20 0 GGADLP C[N@@H+](CCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)Cc1ccccc1 ZINC000065540926 1408685641 /nfs/dbraw/zinc/68/56/41/1408685641.db2.gz DYQDIIMVRYEDMQ-UHFFFAOYSA-N 2 2 381.524 3.003 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000066147368 1408784777 /nfs/dbraw/zinc/78/47/77/1408784777.db2.gz CGTCKOJJSKKHGB-UHFFFAOYSA-N 2 2 399.501 3.467 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000066147368 1408784781 /nfs/dbraw/zinc/78/47/81/1408784781.db2.gz CGTCKOJJSKKHGB-UHFFFAOYSA-N 2 2 399.501 3.467 20 0 GGADLP Cc1cccc(OCCCCC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000066393928 1408829628 /nfs/dbraw/zinc/82/96/28/1408829628.db2.gz ITDRAUZESGXIBN-UHFFFAOYSA-N 2 2 375.557 3.029 20 0 GGADLP Cc1cccc(OCCCCC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000066393928 1408829632 /nfs/dbraw/zinc/82/96/32/1408829632.db2.gz ITDRAUZESGXIBN-UHFFFAOYSA-N 2 2 375.557 3.029 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000066568082 1408858792 /nfs/dbraw/zinc/85/87/92/1408858792.db2.gz LMFMSILXXBFCRI-INIZCTEOSA-N 2 2 379.495 3.292 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(F)cc3F)CC2)CC1 ZINC000066568357 1408859144 /nfs/dbraw/zinc/85/91/44/1408859144.db2.gz KGZGDUZAXQJDLV-INIZCTEOSA-N 2 2 379.495 3.292 20 0 GGADLP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000066596413 1408862878 /nfs/dbraw/zinc/86/28/78/1408862878.db2.gz SBIPUPPKYHHMBM-NRFANRHFSA-N 2 2 383.540 3.385 20 0 GGADLP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000066596413 1408862880 /nfs/dbraw/zinc/86/28/80/1408862880.db2.gz SBIPUPPKYHHMBM-NRFANRHFSA-N 2 2 383.540 3.385 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000066876803 1408939507 /nfs/dbraw/zinc/93/95/07/1408939507.db2.gz XAMXKBSBQQLIQU-UHFFFAOYSA-N 2 2 396.869 3.378 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000066876795 1408939514 /nfs/dbraw/zinc/93/95/14/1408939514.db2.gz ZJIZSEAJCPNPGH-UHFFFAOYSA-N 2 2 380.536 3.445 20 0 GGADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3nc4ccccc4n3C)cc2)CC1 ZINC000066973155 1408969784 /nfs/dbraw/zinc/96/97/84/1408969784.db2.gz NJTLEEJXFXKNKE-UHFFFAOYSA-N 2 2 377.536 3.001 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000066985620 1408971853 /nfs/dbraw/zinc/97/18/53/1408971853.db2.gz NSRLBSLHVDQCQD-UHFFFAOYSA-N 2 2 389.503 3.468 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000066985862 1408972344 /nfs/dbraw/zinc/97/23/44/1408972344.db2.gz CRFAADRCJVLAQV-FQEVSTJZSA-N 2 2 393.491 3.492 20 0 GGADLP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCc2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000066985764 1408972582 /nfs/dbraw/zinc/97/25/82/1408972582.db2.gz SITAUFCGKFTVFZ-UHFFFAOYSA-N 2 2 393.491 3.271 20 0 GGADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000067457472 1409124491 /nfs/dbraw/zinc/12/44/91/1409124491.db2.gz PVDCSSXEIRTDKF-FQEVSTJZSA-N 2 2 387.572 3.106 20 0 GGADLP O=C(NCCc1cn2c([nH+]1)CCCC2)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067457472 1409124505 /nfs/dbraw/zinc/12/45/05/1409124505.db2.gz PVDCSSXEIRTDKF-FQEVSTJZSA-N 2 2 387.572 3.106 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000176611954 1428379699 /nfs/dbraw/zinc/37/96/99/1428379699.db2.gz YUJKXNRZANNXGD-VQTJNVASSA-N 2 2 387.572 3.202 20 0 GGADLP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000067645509 1409194373 /nfs/dbraw/zinc/19/43/73/1409194373.db2.gz XNMCGTRBHOSORY-UHFFFAOYSA-N 2 2 395.482 3.285 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1ccccc1 ZINC000067645644 1409195280 /nfs/dbraw/zinc/19/52/80/1409195280.db2.gz ZDNBJIBTICQAFI-HXUWFJFHSA-N 2 2 381.455 3.114 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)c1cccc(F)c1 ZINC000067645611 1409195559 /nfs/dbraw/zinc/19/55/59/1409195559.db2.gz AGRXPDRSECZTSX-HXUWFJFHSA-N 2 2 399.445 3.253 20 0 GGADLP COc1cccc2cc(C[NH2+]Cc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)oc21 ZINC000067668653 1409203063 /nfs/dbraw/zinc/20/30/63/1409203063.db2.gz BJAMAGLEHZUGGG-UHFFFAOYSA-N 2 2 393.487 3.119 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(-c4ccccc4)cs3)cn2)CC1 ZINC000067698568 1409208042 /nfs/dbraw/zinc/20/80/42/1409208042.db2.gz WFNLYRLNFJFKQY-UHFFFAOYSA-N 2 2 379.533 3.247 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)[NH+](C)C)cc1 ZINC000067704107 1409209933 /nfs/dbraw/zinc/20/99/33/1409209933.db2.gz TVAFIJLVKSEOGG-JOCHJYFZSA-N 2 2 391.519 3.342 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000068245125 1409338857 /nfs/dbraw/zinc/33/88/57/1409338857.db2.gz LVYNJXBYOFECQL-NRFANRHFSA-N 2 2 381.495 3.170 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000068245125 1409338864 /nfs/dbraw/zinc/33/88/64/1409338864.db2.gz LVYNJXBYOFECQL-NRFANRHFSA-N 2 2 381.495 3.170 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC[NH+]3Cc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000068254610 1409340593 /nfs/dbraw/zinc/34/05/93/1409340593.db2.gz KZMGEMPAUCWLCD-KDURUIRLSA-N 2 2 393.531 3.041 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC[NH+]3Cc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000068254610 1409340598 /nfs/dbraw/zinc/34/05/98/1409340598.db2.gz KZMGEMPAUCWLCD-KDURUIRLSA-N 2 2 393.531 3.041 20 0 GGADLP O=C(NCC[NH+]1Cc2ccccc2C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000068407125 1409393312 /nfs/dbraw/zinc/39/33/12/1409393312.db2.gz ZTSGOJXNLAXQHY-UHFFFAOYSA-N 2 2 396.510 3.105 20 0 GGADLP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000068420794 1409396874 /nfs/dbraw/zinc/39/68/74/1409396874.db2.gz GFGIDQGETKSURB-JOCHJYFZSA-N 2 2 380.536 3.066 20 0 GGADLP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)c1ccccc1 ZINC000068420794 1409396879 /nfs/dbraw/zinc/39/68/79/1409396879.db2.gz GFGIDQGETKSURB-JOCHJYFZSA-N 2 2 380.536 3.066 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000068421067 1409397050 /nfs/dbraw/zinc/39/70/50/1409397050.db2.gz CGIVMKAEWNQIEN-UHFFFAOYSA-N 2 2 384.549 3.253 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000068435781 1409402170 /nfs/dbraw/zinc/40/21/70/1409402170.db2.gz ISZAOPZMBYDENT-JOCHJYFZSA-N 2 2 393.531 3.370 20 0 GGADLP O=C(Nc1cccc(C[NH+]2CCOCC2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000068435781 1409402173 /nfs/dbraw/zinc/40/21/73/1409402173.db2.gz ISZAOPZMBYDENT-JOCHJYFZSA-N 2 2 393.531 3.370 20 0 GGADLP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCCn1cc[nH+]c1 ZINC000068562465 1409440078 /nfs/dbraw/zinc/44/00/78/1409440078.db2.gz OTAKOFINKCBAHH-UHFFFAOYSA-N 2 2 397.445 3.065 20 0 GGADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000069006628 1409542076 /nfs/dbraw/zinc/54/20/76/1409542076.db2.gz AYACUISSVFHDLI-HSZRJFAPSA-N 2 2 392.547 3.037 20 0 GGADLP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000069006628 1409542082 /nfs/dbraw/zinc/54/20/82/1409542082.db2.gz AYACUISSVFHDLI-HSZRJFAPSA-N 2 2 392.547 3.037 20 0 GGADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)CC1 ZINC000069006628 1409542089 /nfs/dbraw/zinc/54/20/89/1409542089.db2.gz AYACUISSVFHDLI-HSZRJFAPSA-N 2 2 392.547 3.037 20 0 GGADLP CN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3Cc3ccccc3)cc2)CC1 ZINC000069006628 1409542093 /nfs/dbraw/zinc/54/20/93/1409542093.db2.gz AYACUISSVFHDLI-HSZRJFAPSA-N 2 2 392.547 3.037 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000069631930 1409666545 /nfs/dbraw/zinc/66/65/45/1409666545.db2.gz VSSHDGUPSTWYJR-MRXNPFEDSA-N 2 2 376.526 3.213 20 0 GGADLP COc1cc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc(Cl)c1OC ZINC000069747597 1409691551 /nfs/dbraw/zinc/69/15/51/1409691551.db2.gz NNKZGAABBAFEET-UHFFFAOYSA-N 2 2 390.911 3.479 20 0 GGADLP Cc1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000069785341 1409698260 /nfs/dbraw/zinc/69/82/60/1409698260.db2.gz XHZATZUCMUIEBF-UHFFFAOYSA-N 2 2 389.547 3.218 20 0 GGADLP O=C(NCC1([NH+]2CCSCC2)CCCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000069789105 1409700315 /nfs/dbraw/zinc/70/03/15/1409700315.db2.gz XMTPVPLFEMXBPE-UHFFFAOYSA-N 2 2 398.576 3.413 20 0 GGADLP C[NH+](C)Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC000069980845 1409734315 /nfs/dbraw/zinc/73/43/15/1409734315.db2.gz SKZSGDQODABIPM-NRFANRHFSA-N 2 2 383.561 3.155 20 0 GGADLP CC(C)(CNC(=O)C[N@@H+]1CCC[C@H]1c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000072032414 1409839059 /nfs/dbraw/zinc/83/90/59/1409839059.db2.gz NSIMVHOLZAMBMM-QFIPXVFZSA-N 2 2 395.547 3.204 20 0 GGADLP CC(C)(CNC(=O)C[N@H+]1CCC[C@H]1c1cccc2ccccc21)[NH+]1CCOCC1 ZINC000072032414 1409839060 /nfs/dbraw/zinc/83/90/60/1409839060.db2.gz NSIMVHOLZAMBMM-QFIPXVFZSA-N 2 2 395.547 3.204 20 0 GGADLP Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000078485964 1409920697 /nfs/dbraw/zinc/92/06/97/1409920697.db2.gz QNMQNTWVOYYZKF-HSZRJFAPSA-N 2 2 376.504 3.344 20 0 GGADLP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000079309345 1409967831 /nfs/dbraw/zinc/96/78/31/1409967831.db2.gz NNSDMQDRFQIRJK-SFHVURJKSA-N 2 2 385.556 3.003 20 0 GGADLP CC[NH+](CC)CCn1c2ccccc2[nH]c1=NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000079309345 1409967850 /nfs/dbraw/zinc/96/78/50/1409967850.db2.gz NNSDMQDRFQIRJK-SFHVURJKSA-N 2 2 385.556 3.003 20 0 GGADLP Cc1cccn2cc(CC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000079553574 1409981525 /nfs/dbraw/zinc/98/15/25/1409981525.db2.gz PUVFHJODKNGVCP-UYAOXDASSA-N 2 2 376.504 3.355 20 0 GGADLP Cc1cccn2cc(CC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)[nH+]c12 ZINC000079553574 1409981532 /nfs/dbraw/zinc/98/15/32/1409981532.db2.gz PUVFHJODKNGVCP-UYAOXDASSA-N 2 2 376.504 3.355 20 0 GGADLP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000088684059 1410050748 /nfs/dbraw/zinc/05/07/48/1410050748.db2.gz VTAGETHBQXQPPZ-YKSBVNFPSA-N 2 2 379.548 3.444 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000089263011 1410053414 /nfs/dbraw/zinc/05/34/14/1410053414.db2.gz GGYCDDZATCKDJO-IBGZPJMESA-N 2 2 377.532 3.095 20 0 GGADLP Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000090004118 1410060515 /nfs/dbraw/zinc/06/05/15/1410060515.db2.gz YXGYDZAROQBOQX-JPYJTQIMSA-N 2 2 380.536 3.251 20 0 GGADLP Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)C2CC2)cc1 ZINC000090004118 1410060523 /nfs/dbraw/zinc/06/05/23/1410060523.db2.gz YXGYDZAROQBOQX-JPYJTQIMSA-N 2 2 380.536 3.251 20 0 GGADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090114842 1410060987 /nfs/dbraw/zinc/06/09/87/1410060987.db2.gz WMSSVFSIVRAMID-MZYLBHOOSA-N 2 2 377.532 3.477 20 0 GGADLP CN(C(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000090114842 1410060996 /nfs/dbraw/zinc/06/09/96/1410060996.db2.gz WMSSVFSIVRAMID-MZYLBHOOSA-N 2 2 377.532 3.477 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(C)c(F)c1 ZINC000091035075 1410068473 /nfs/dbraw/zinc/06/84/73/1410068473.db2.gz ZIBPKPSNFHERDK-HXUWFJFHSA-N 2 2 378.536 3.253 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(C)c(F)c1 ZINC000091035075 1410068479 /nfs/dbraw/zinc/06/84/79/1410068479.db2.gz ZIBPKPSNFHERDK-HXUWFJFHSA-N 2 2 378.536 3.253 20 0 GGADLP Cc1noc(C)c1CN1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000091891331 1410090453 /nfs/dbraw/zinc/09/04/53/1410090453.db2.gz BZKBRSHCVHPGPN-UHFFFAOYSA-N 2 2 398.551 3.084 20 0 GGADLP Cc1noc(C)c1C[NH+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000091891331 1410090457 /nfs/dbraw/zinc/09/04/57/1410090457.db2.gz BZKBRSHCVHPGPN-UHFFFAOYSA-N 2 2 398.551 3.084 20 0 GGADLP CCc1noc(CC)c1C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092411184 1410155425 /nfs/dbraw/zinc/15/54/25/1410155425.db2.gz NENRUJGYDCCEFF-UHFFFAOYSA-N 2 2 376.932 3.494 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1C ZINC000092587969 1410177082 /nfs/dbraw/zinc/17/70/82/1410177082.db2.gz DTWUNWWEYRUPTN-PXNSSMCTSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1C ZINC000092587969 1410177087 /nfs/dbraw/zinc/17/70/87/1410177087.db2.gz DTWUNWWEYRUPTN-PXNSSMCTSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000092587969 1410177090 /nfs/dbraw/zinc/17/70/90/1410177090.db2.gz DTWUNWWEYRUPTN-PXNSSMCTSA-N 2 2 390.572 3.149 20 0 GGADLP COC(=O)CCn1nc(C)c(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000092587969 1410177098 /nfs/dbraw/zinc/17/70/98/1410177098.db2.gz DTWUNWWEYRUPTN-PXNSSMCTSA-N 2 2 390.572 3.149 20 0 GGADLP Cc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1-n1cncn1 ZINC000092645152 1410181849 /nfs/dbraw/zinc/18/18/49/1410181849.db2.gz CMKHPKBEOOWWBA-UHFFFAOYSA-N 2 2 390.535 3.110 20 0 GGADLP Cc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1-n1cncn1 ZINC000092645152 1410181854 /nfs/dbraw/zinc/18/18/54/1410181854.db2.gz CMKHPKBEOOWWBA-UHFFFAOYSA-N 2 2 390.535 3.110 20 0 GGADLP COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(OC)c1OC ZINC000092645326 1410182107 /nfs/dbraw/zinc/18/21/07/1410182107.db2.gz PQVGMKZSTCDQCB-UHFFFAOYSA-N 2 2 399.535 3.246 20 0 GGADLP COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc(OC)c1OC ZINC000092645326 1410182114 /nfs/dbraw/zinc/18/21/14/1410182114.db2.gz PQVGMKZSTCDQCB-UHFFFAOYSA-N 2 2 399.535 3.246 20 0 GGADLP COCCOc1ccccc1C[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645322 1410182144 /nfs/dbraw/zinc/18/21/44/1410182144.db2.gz ZXTHNNUIHFPWPA-UHFFFAOYSA-N 2 2 383.536 3.246 20 0 GGADLP COCCOc1ccccc1C[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645322 1410182150 /nfs/dbraw/zinc/18/21/50/1410182150.db2.gz ZXTHNNUIHFPWPA-UHFFFAOYSA-N 2 2 383.536 3.246 20 0 GGADLP C[N@H+](Cc1cccc2c1OCCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645139 1410182745 /nfs/dbraw/zinc/18/27/45/1410182745.db2.gz BMVREHLYFASEHP-UHFFFAOYSA-N 2 2 381.520 3.382 20 0 GGADLP C[N@@H+](Cc1cccc2c1OCCCO2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000092645139 1410182750 /nfs/dbraw/zinc/18/27/50/1410182750.db2.gz BMVREHLYFASEHP-UHFFFAOYSA-N 2 2 381.520 3.382 20 0 GGADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(OC)c1OC ZINC000092645195 1410182813 /nfs/dbraw/zinc/18/28/13/1410182813.db2.gz QJZLMFDLVHESMT-UHFFFAOYSA-N 2 2 399.535 3.246 20 0 GGADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)c(OC)c1OC ZINC000092645195 1410182823 /nfs/dbraw/zinc/18/28/23/1410182823.db2.gz QJZLMFDLVHESMT-UHFFFAOYSA-N 2 2 399.535 3.246 20 0 GGADLP Cc1nn(-c2ccccc2)cc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000092664675 1410184778 /nfs/dbraw/zinc/18/47/78/1410184778.db2.gz YCIXHTCGXWWIHI-WOJBJXKFSA-N 2 2 381.568 3.171 20 0 GGADLP Cc1[nH+]cc(CN2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)n1-c1ccccc1 ZINC000092665374 1410184954 /nfs/dbraw/zinc/18/49/54/1410184954.db2.gz OISFDVGGJJAQJA-WOJBJXKFSA-N 2 2 381.568 3.171 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000092665469 1410185879 /nfs/dbraw/zinc/18/58/79/1410185879.db2.gz YENCIOUYMZYRTE-HDICACEKSA-N 2 2 385.531 3.206 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000092665469 1410185884 /nfs/dbraw/zinc/18/58/84/1410185884.db2.gz YENCIOUYMZYRTE-HDICACEKSA-N 2 2 385.531 3.206 20 0 GGADLP COc1cc(C)c(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092665587 1410186122 /nfs/dbraw/zinc/18/61/22/1410186122.db2.gz COAAKAALUQZCMD-OALUTQOASA-N 2 2 375.557 3.003 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1OC ZINC000092666217 1410186734 /nfs/dbraw/zinc/18/67/34/1410186734.db2.gz CCYOBNMIAVTUNC-OALUTQOASA-N 2 2 375.557 3.084 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](c3nc(C)cs3)C2)CC1 ZINC000092790206 1410202116 /nfs/dbraw/zinc/20/21/16/1410202116.db2.gz WZYQUNDZFYHFLR-FQEVSTJZSA-N 2 2 386.565 3.167 20 0 GGADLP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](c3nc(C)cs3)C2)CC1 ZINC000092790206 1410202118 /nfs/dbraw/zinc/20/21/18/1410202118.db2.gz WZYQUNDZFYHFLR-FQEVSTJZSA-N 2 2 386.565 3.167 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cnc(C(C)C)s3)CC2)CC1 ZINC000093141499 1410225129 /nfs/dbraw/zinc/22/51/29/1410225129.db2.gz KSRYVFBIRJRWTR-UHFFFAOYSA-N 2 2 378.586 3.033 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000093141579 1410226097 /nfs/dbraw/zinc/22/60/97/1410226097.db2.gz XSQAWIQUJMQKDT-UHFFFAOYSA-N 2 2 381.923 3.245 20 0 GGADLP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000095468474 1410313473 /nfs/dbraw/zinc/31/34/73/1410313473.db2.gz UEHLJUBLMCMXRB-GOSISDBHSA-N 2 2 394.560 3.128 20 0 GGADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000096625543 1410334838 /nfs/dbraw/zinc/33/48/38/1410334838.db2.gz VHOCPQFKJGKXMA-UHFFFAOYSA-N 2 2 393.531 3.370 20 0 GGADLP CCOc1cc2[nH+]ccc(NCC[NH+]3CCC([NH+](C)C)CC3)c2cc1OCC ZINC000176815957 1428478883 /nfs/dbraw/zinc/47/88/83/1428478883.db2.gz HRXGFWGWWUPKEU-UHFFFAOYSA-N 3 2 386.540 3.470 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101544969 1410456765 /nfs/dbraw/zinc/45/67/65/1410456765.db2.gz HZJZJEVWIZHHHA-HXUWFJFHSA-N 2 2 384.549 3.339 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101544969 1410456773 /nfs/dbraw/zinc/45/67/73/1410456773.db2.gz HZJZJEVWIZHHHA-HXUWFJFHSA-N 2 2 384.549 3.339 20 0 GGADLP O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101544971 1410457473 /nfs/dbraw/zinc/45/74/73/1410457473.db2.gz HZJZJEVWIZHHHA-FQEVSTJZSA-N 2 2 384.549 3.339 20 0 GGADLP O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101544971 1410457481 /nfs/dbraw/zinc/45/74/81/1410457481.db2.gz HZJZJEVWIZHHHA-FQEVSTJZSA-N 2 2 384.549 3.339 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000101691708 1410491675 /nfs/dbraw/zinc/49/16/75/1410491675.db2.gz VUJXWSYKNQJZFB-QHCPKHFHSA-N 2 2 395.547 3.291 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](Oc1ccccc1)c1ccccc1 ZINC000101691708 1410491676 /nfs/dbraw/zinc/49/16/76/1410491676.db2.gz VUJXWSYKNQJZFB-QHCPKHFHSA-N 2 2 395.547 3.291 20 0 GGADLP CCOc1cccc([C@@H](C)NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000102008731 1410542480 /nfs/dbraw/zinc/54/24/80/1410542480.db2.gz DSKMXOCBSPGRIB-QGZVFWFLSA-N 2 2 388.556 3.004 20 0 GGADLP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000176885516 1428512004 /nfs/dbraw/zinc/51/20/04/1428512004.db2.gz FWLLYKCWFXRKGB-FQEVSTJZSA-N 2 2 381.524 3.047 20 0 GGADLP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCNc1cccc[nH+]1 ZINC000176885516 1428512010 /nfs/dbraw/zinc/51/20/10/1428512010.db2.gz FWLLYKCWFXRKGB-FQEVSTJZSA-N 2 2 381.524 3.047 20 0 GGADLP COc1ccc([C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+]2CCCC2)cc1 ZINC000103297712 1410844054 /nfs/dbraw/zinc/84/40/54/1410844054.db2.gz JIVKFSZWXOZHQU-OAQYLSRUSA-N 2 2 397.523 3.075 20 0 GGADLP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCc3cc[nH+]c(N4CCCC4)c3)C2)CC1 ZINC000103302061 1410844653 /nfs/dbraw/zinc/84/46/53/1410844653.db2.gz ZKXOWIWTQNVHDP-OAQYLSRUSA-N 2 2 399.583 3.335 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103302050 1410844716 /nfs/dbraw/zinc/84/47/16/1410844716.db2.gz TYNCIEHHLPIZAW-OAQYLSRUSA-N 2 2 399.583 3.479 20 0 GGADLP CC[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000103305274 1410844927 /nfs/dbraw/zinc/84/49/27/1410844927.db2.gz OUCMFTOIOVIZEH-HXUWFJFHSA-N 2 2 381.524 3.067 20 0 GGADLP CC[C@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000103305274 1410844929 /nfs/dbraw/zinc/84/49/29/1410844929.db2.gz OUCMFTOIOVIZEH-HXUWFJFHSA-N 2 2 381.524 3.067 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(n2cc[nH+]c2)CC1)Cc1ccccc1 ZINC000103305047 1410845133 /nfs/dbraw/zinc/84/51/33/1410845133.db2.gz UVMFFFPQDQWDPV-OAQYLSRUSA-N 2 2 383.540 3.183 20 0 GGADLP Cc1ccc([C@@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+]2CCCC2)cc1 ZINC000103311778 1410846078 /nfs/dbraw/zinc/84/60/78/1410846078.db2.gz MVTIDJBBNGOYSD-OAQYLSRUSA-N 2 2 381.524 3.375 20 0 GGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000103481154 1410862534 /nfs/dbraw/zinc/86/25/34/1410862534.db2.gz XASIRQIUPFUNIC-CALCHBBNSA-N 2 2 383.536 3.480 20 0 GGADLP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000103481154 1410862535 /nfs/dbraw/zinc/86/25/35/1410862535.db2.gz XASIRQIUPFUNIC-CALCHBBNSA-N 2 2 383.536 3.480 20 0 GGADLP CC(C)([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(F)cc1 ZINC000103482588 1410862643 /nfs/dbraw/zinc/86/26/43/1410862643.db2.gz QWBQKHXQEPIMCA-UHFFFAOYSA-N 2 2 385.483 3.121 20 0 GGADLP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000104333252 1410892420 /nfs/dbraw/zinc/89/24/20/1410892420.db2.gz UJRJRNLTLCYNKL-HXUWFJFHSA-N 2 2 386.540 3.232 20 0 GGADLP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000104333252 1410892421 /nfs/dbraw/zinc/89/24/21/1410892421.db2.gz UJRJRNLTLCYNKL-HXUWFJFHSA-N 2 2 386.540 3.232 20 0 GGADLP COc1cc[nH+]c(N2CC[NH+](Cc3ccc(OCc4ccncc4)cc3)CC2)c1 ZINC000104720140 1410942268 /nfs/dbraw/zinc/94/22/68/1410942268.db2.gz IRGDKLLYSAPVCR-UHFFFAOYSA-N 2 2 390.487 3.386 20 0 GGADLP CC[C@@H](C)[C@@H](C)[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000104965956 1411005597 /nfs/dbraw/zinc/00/55/97/1411005597.db2.gz QMUDNRHHPFQRKX-RTBURBONSA-N 2 2 387.568 3.034 20 0 GGADLP CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)NCc1ccccc1C[NH+]1CCOCC1)C1CC1 ZINC000104965956 1411005610 /nfs/dbraw/zinc/00/56/10/1411005610.db2.gz QMUDNRHHPFQRKX-RTBURBONSA-N 2 2 387.568 3.034 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000105068819 1411024461 /nfs/dbraw/zinc/02/44/61/1411024461.db2.gz DWWPQORBDQKEOR-FQEVSTJZSA-N 2 2 381.524 3.410 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000105089063 1411027040 /nfs/dbraw/zinc/02/70/40/1411027040.db2.gz BASJHGPHEVWQQY-UHFFFAOYSA-N 2 2 399.004 3.100 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCSc1ccc(Cl)cc1 ZINC000105089063 1411027049 /nfs/dbraw/zinc/02/70/49/1411027049.db2.gz BASJHGPHEVWQQY-UHFFFAOYSA-N 2 2 399.004 3.100 20 0 GGADLP COc1ccc([C@H](NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000105092161 1411027633 /nfs/dbraw/zinc/02/76/33/1411027633.db2.gz DYWYLVQBIHDLBS-OAQYLSRUSA-N 2 2 390.572 3.060 20 0 GGADLP COc1ccc([C@H](NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)C(C)C)cc1 ZINC000105092161 1411027641 /nfs/dbraw/zinc/02/76/41/1411027641.db2.gz DYWYLVQBIHDLBS-OAQYLSRUSA-N 2 2 390.572 3.060 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000105100268 1411028217 /nfs/dbraw/zinc/02/82/17/1411028217.db2.gz PYGAOYJFKGZTNO-LJQANCHMSA-N 2 2 380.964 3.459 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000105100268 1411028229 /nfs/dbraw/zinc/02/82/29/1411028229.db2.gz PYGAOYJFKGZTNO-LJQANCHMSA-N 2 2 380.964 3.459 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000105118801 1411031030 /nfs/dbraw/zinc/03/10/30/1411031030.db2.gz DSMSZSYBDWMUHV-UHFFFAOYSA-N 2 2 381.524 3.369 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105119361 1411031347 /nfs/dbraw/zinc/03/13/47/1411031347.db2.gz UQJVENHSKFTLLJ-OAQYLSRUSA-N 2 2 381.524 3.091 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000105120201 1411031935 /nfs/dbraw/zinc/03/19/35/1411031935.db2.gz WSIWDHTVGAJCDP-LJQANCHMSA-N 2 2 380.964 3.459 20 0 GGADLP CC[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000105120201 1411031944 /nfs/dbraw/zinc/03/19/44/1411031944.db2.gz WSIWDHTVGAJCDP-LJQANCHMSA-N 2 2 380.964 3.459 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000105128699 1411032853 /nfs/dbraw/zinc/03/28/53/1411032853.db2.gz XVGWWSNJZOZLAN-UHFFFAOYSA-N 2 2 381.524 3.021 20 0 GGADLP C[C@@H](CNC(=O)NCCCCNc1cccc[nH+]1)[N@@H+]1CCc2sccc2C1 ZINC000105150408 1411034942 /nfs/dbraw/zinc/03/49/42/1411034942.db2.gz HRKZRCJWFXAURE-INIZCTEOSA-N 2 2 387.553 3.081 20 0 GGADLP C[C@@H](CNC(=O)NCCCCNc1cccc[nH+]1)[N@H+]1CCc2sccc2C1 ZINC000105150408 1411034950 /nfs/dbraw/zinc/03/49/50/1411034950.db2.gz HRKZRCJWFXAURE-INIZCTEOSA-N 2 2 387.553 3.081 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000105149941 1411035488 /nfs/dbraw/zinc/03/54/88/1411035488.db2.gz KMMIWIYSYWHGPC-FQEVSTJZSA-N 2 2 381.524 3.238 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000105149941 1411035498 /nfs/dbraw/zinc/03/54/98/1411035498.db2.gz KMMIWIYSYWHGPC-FQEVSTJZSA-N 2 2 381.524 3.238 20 0 GGADLP Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000105163182 1411036773 /nfs/dbraw/zinc/03/67/73/1411036773.db2.gz UCXFCWLXMDCZBQ-QGZVFWFLSA-N 2 2 386.540 3.470 20 0 GGADLP Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000105163182 1411036781 /nfs/dbraw/zinc/03/67/81/1411036781.db2.gz UCXFCWLXMDCZBQ-QGZVFWFLSA-N 2 2 386.540 3.470 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105190026 1411040025 /nfs/dbraw/zinc/04/00/25/1411040025.db2.gz SLSONCHQSOXOAJ-GOSISDBHSA-N 2 2 385.487 3.171 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC000105293992 1411050850 /nfs/dbraw/zinc/05/08/50/1411050850.db2.gz NNJVZVVJGDXQAW-QZTJIDSGSA-N 2 2 388.556 3.292 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCC[N@@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC000105293992 1411050858 /nfs/dbraw/zinc/05/08/58/1411050858.db2.gz NNJVZVVJGDXQAW-QZTJIDSGSA-N 2 2 388.556 3.292 20 0 GGADLP COc1cccc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1OC ZINC000105463040 1411069281 /nfs/dbraw/zinc/06/92/81/1411069281.db2.gz LIZFTLXSFKSDRD-MRXNPFEDSA-N 2 2 387.499 3.446 20 0 GGADLP COc1ccc([C@@H](C)[N@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000105820903 1411126462 /nfs/dbraw/zinc/12/64/62/1411126462.db2.gz XQYKUPNUNKMXRS-HXUWFJFHSA-N 2 2 395.547 3.341 20 0 GGADLP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000105820903 1411126465 /nfs/dbraw/zinc/12/64/65/1411126465.db2.gz XQYKUPNUNKMXRS-HXUWFJFHSA-N 2 2 395.547 3.341 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000106213926 1411181166 /nfs/dbraw/zinc/18/11/66/1411181166.db2.gz HUVASWQMGPUXSL-YQVWRLOYSA-N 2 2 382.508 3.111 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C1 ZINC000106213926 1411181172 /nfs/dbraw/zinc/18/11/72/1411181172.db2.gz HUVASWQMGPUXSL-YQVWRLOYSA-N 2 2 382.508 3.111 20 0 GGADLP Cc1ccccc1C1CC[NH+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000106861322 1411310581 /nfs/dbraw/zinc/31/05/81/1411310581.db2.gz LEWLJUNXSWUGRA-UHFFFAOYSA-N 2 2 392.547 3.308 20 0 GGADLP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c(Cl)c1OC ZINC000107315581 1411360613 /nfs/dbraw/zinc/36/06/13/1411360613.db2.gz ULQJHQPHMCINQS-UHFFFAOYSA-N 2 2 390.911 3.479 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)CC1 ZINC000107372287 1411365882 /nfs/dbraw/zinc/36/58/82/1411365882.db2.gz SYNWETBJYJRLNW-VQTJNVASSA-N 2 2 386.584 3.157 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)CC1 ZINC000107372287 1411365889 /nfs/dbraw/zinc/36/58/89/1411365889.db2.gz SYNWETBJYJRLNW-VQTJNVASSA-N 2 2 386.584 3.157 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107371937 1411366378 /nfs/dbraw/zinc/36/63/78/1411366378.db2.gz PXAIBLWLELRCQF-GHTZIAJQSA-N 2 2 386.584 3.023 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107371937 1411366385 /nfs/dbraw/zinc/36/63/85/1411366385.db2.gz PXAIBLWLELRCQF-GHTZIAJQSA-N 2 2 386.584 3.023 20 0 GGADLP O=C(NCC1([NH+]2CCSCC2)CCCC1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000107622229 1411393797 /nfs/dbraw/zinc/39/37/97/1411393797.db2.gz QKTATUYGFGJXDI-UHFFFAOYSA-N 2 2 384.549 3.023 20 0 GGADLP O=C(NCCc1[nH+]ccn1Cc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107830322 1411417415 /nfs/dbraw/zinc/41/74/15/1411417415.db2.gz OIXBMZIRARGIJH-OAQYLSRUSA-N 2 2 395.551 3.134 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)nc[nH+]1 ZINC000109069909 1411674325 /nfs/dbraw/zinc/67/43/25/1411674325.db2.gz NPQHEXSWKSIFCQ-KRWDZBQOSA-N 2 2 397.914 3.320 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(Br)cs2)nc[nH+]1 ZINC000109070266 1411676002 /nfs/dbraw/zinc/67/60/02/1411676002.db2.gz GINDUPBMZRTFBF-GFCCVEGCSA-N 2 2 382.331 3.101 20 0 GGADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2nc(-c3ccccc3)cs2)nc[nH+]1 ZINC000109070298 1411676200 /nfs/dbraw/zinc/67/62/00/1411676200.db2.gz KZGULBXCJBDMFX-INIZCTEOSA-N 2 2 380.521 3.400 20 0 GGADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccccc1C(F)(F)F ZINC000109544675 1411783259 /nfs/dbraw/zinc/78/32/59/1411783259.db2.gz QNKAJUPLCADCOO-UHFFFAOYSA-N 2 2 399.457 3.078 20 0 GGADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000109793702 1411811028 /nfs/dbraw/zinc/81/10/28/1411811028.db2.gz FLLQELMHXGQJEF-UHFFFAOYSA-N 2 2 382.464 3.200 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109794693 1411811232 /nfs/dbraw/zinc/81/12/32/1411811232.db2.gz QLEWZNTUPZYVSR-ZDUSSCGKSA-N 2 2 382.386 3.446 20 0 GGADLP CC[NH+](CC)[C@H](CNc1cc(N2CCC[C@H](CO)C2)[nH+]cn1)c1ccccc1 ZINC000110114059 1411831627 /nfs/dbraw/zinc/83/16/27/1411831627.db2.gz HMWSLSDJWCZCBU-AZUAARDMSA-N 2 2 383.540 3.180 20 0 GGADLP Clc1cccc(-c2noc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)c1 ZINC000110243534 1411839906 /nfs/dbraw/zinc/83/99/06/1411839906.db2.gz OKEDAUQWBLMYOG-UHFFFAOYSA-N 2 2 390.915 3.324 20 0 GGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110429933 1411850360 /nfs/dbraw/zinc/85/03/60/1411850360.db2.gz ACALFFOARNSVHY-IYBDPMFKSA-N 2 2 393.959 3.408 20 0 GGADLP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000110429933 1411850361 /nfs/dbraw/zinc/85/03/61/1411850361.db2.gz ACALFFOARNSVHY-IYBDPMFKSA-N 2 2 393.959 3.408 20 0 GGADLP CC[NH+](CC)[C@H](C(=O)NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1 ZINC000111034712 1411883435 /nfs/dbraw/zinc/88/34/35/1411883435.db2.gz DEUPZRBYZSDBKJ-NRFANRHFSA-N 2 2 387.568 3.221 20 0 GGADLP O=C(/C=C/c1ccc(-n2cc[nH+]c2)cc1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000111101694 1411887164 /nfs/dbraw/zinc/88/71/64/1411887164.db2.gz MVNOCVQIIMVNJX-RMKNXTFCSA-N 2 2 394.519 3.037 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111243276 1411897535 /nfs/dbraw/zinc/89/75/35/1411897535.db2.gz XVPHQPRLFZMHTQ-OAHLLOKOSA-N 2 2 383.521 3.177 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CCC(n2cc[nH+]c2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000111243199 1411897625 /nfs/dbraw/zinc/89/76/25/1411897625.db2.gz VPRLRFKEMPXJDF-AWEZNQCLSA-N 2 2 396.413 3.296 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@H]3c3ccccc3)CC2)CC1 ZINC000111491607 1411980398 /nfs/dbraw/zinc/98/03/98/1411980398.db2.gz VORCBEUYANAPRW-FCHUYYIVSA-N 2 2 384.568 3.181 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000111491604 1411980702 /nfs/dbraw/zinc/98/07/02/1411980702.db2.gz VORCBEUYANAPRW-YADHBBJMSA-N 2 2 384.568 3.181 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@@H]3c3ccccc3)CC2)CC1 ZINC000111491602 1411981403 /nfs/dbraw/zinc/98/14/03/1411981403.db2.gz VORCBEUYANAPRW-FGZHOGPDSA-N 2 2 384.568 3.181 20 0 GGADLP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000111563548 1411992310 /nfs/dbraw/zinc/99/23/10/1411992310.db2.gz VLEXRDLRNGXHGZ-QGZVFWFLSA-N 2 2 384.499 3.037 20 0 GGADLP CC(C)[NH2+]C1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000111727665 1412018848 /nfs/dbraw/zinc/01/88/48/1412018848.db2.gz MUIMTCVCYSUEIF-ROUUACIJSA-N 2 2 388.556 3.290 20 0 GGADLP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000111862553 1412040166 /nfs/dbraw/zinc/04/01/66/1412040166.db2.gz VUZTUCKBSAZLAR-MAUKXSAKSA-N 2 2 396.938 3.085 20 0 GGADLP C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000111862553 1412040175 /nfs/dbraw/zinc/04/01/75/1412040175.db2.gz VUZTUCKBSAZLAR-MAUKXSAKSA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000111862553 1412040183 /nfs/dbraw/zinc/04/01/83/1412040183.db2.gz VUZTUCKBSAZLAR-MAUKXSAKSA-N 2 2 396.938 3.085 20 0 GGADLP C[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000111862553 1412040193 /nfs/dbraw/zinc/04/01/93/1412040193.db2.gz VUZTUCKBSAZLAR-MAUKXSAKSA-N 2 2 396.938 3.085 20 0 GGADLP CCn1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000112096310 1412076243 /nfs/dbraw/zinc/07/62/43/1412076243.db2.gz VJBSVPZBMJKWNP-UHFFFAOYSA-N 2 2 395.473 3.224 20 0 GGADLP CCCC[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112464764 1412150171 /nfs/dbraw/zinc/15/01/71/1412150171.db2.gz JLUWRZFAMAIDDU-HDICACEKSA-N 2 2 376.545 3.149 20 0 GGADLP CCCC[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112464764 1412150176 /nfs/dbraw/zinc/15/01/76/1412150176.db2.gz JLUWRZFAMAIDDU-HDICACEKSA-N 2 2 376.545 3.149 20 0 GGADLP CCCC[NH+](C)CCNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112464764 1412150183 /nfs/dbraw/zinc/15/01/83/1412150183.db2.gz JLUWRZFAMAIDDU-HDICACEKSA-N 2 2 376.545 3.149 20 0 GGADLP CCCC[NH+](C)CCNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000112464764 1412150190 /nfs/dbraw/zinc/15/01/90/1412150190.db2.gz JLUWRZFAMAIDDU-HDICACEKSA-N 2 2 376.545 3.149 20 0 GGADLP CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1 ZINC000112547790 1412166996 /nfs/dbraw/zinc/16/69/96/1412166996.db2.gz GICFQKYUOSCSBX-VQTJNVASSA-N 2 2 381.524 3.023 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C(C)(C)Oc3cccc(Cl)c3)CC2)CC1 ZINC000112632649 1412182383 /nfs/dbraw/zinc/18/23/83/1412182383.db2.gz PSLNPLNFCUBKFR-UHFFFAOYSA-N 2 2 393.959 3.172 20 0 GGADLP CCO[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000112675930 1412189986 /nfs/dbraw/zinc/18/99/86/1412189986.db2.gz DFQXZJWMUSSLDU-XLIONFOSSA-N 2 2 393.959 3.094 20 0 GGADLP CCO[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000112675930 1412189992 /nfs/dbraw/zinc/18/99/92/1412189992.db2.gz DFQXZJWMUSSLDU-XLIONFOSSA-N 2 2 393.959 3.094 20 0 GGADLP COc1ccc(OC(F)F)c(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000112709785 1412201127 /nfs/dbraw/zinc/20/11/27/1412201127.db2.gz ZQFNHXXISQGHGQ-UHFFFAOYSA-N 2 2 392.446 3.419 20 0 GGADLP C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000112915719 1412237617 /nfs/dbraw/zinc/23/76/17/1412237617.db2.gz QTROXXDNWOCMFV-UHFFFAOYSA-N 2 2 378.476 3.261 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000112921555 1412240909 /nfs/dbraw/zinc/24/09/09/1412240909.db2.gz LPUJOYGGTMWXON-UHFFFAOYSA-N 2 2 395.547 3.364 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000112921555 1412240913 /nfs/dbraw/zinc/24/09/13/1412240913.db2.gz LPUJOYGGTMWXON-UHFFFAOYSA-N 2 2 395.547 3.364 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000112921393 1412241671 /nfs/dbraw/zinc/24/16/71/1412241671.db2.gz VQMSUGSSGYTXIU-UHFFFAOYSA-N 2 2 396.944 3.155 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000112921393 1412241679 /nfs/dbraw/zinc/24/16/79/1412241679.db2.gz VQMSUGSSGYTXIU-UHFFFAOYSA-N 2 2 396.944 3.155 20 0 GGADLP CC(C)[C@H](C[NH2+]Cc1csc(COc2ccccc2)n1)N1CC[NH+](C)CC1 ZINC000113319805 1412292696 /nfs/dbraw/zinc/29/26/96/1412292696.db2.gz IIKFCWFUGSSJLX-FQEVSTJZSA-N 2 2 388.581 3.084 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000113514850 1412311194 /nfs/dbraw/zinc/31/11/94/1412311194.db2.gz OIUIEXFAXKSVRO-QHCPKHFHSA-N 2 2 379.548 3.141 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(CCc2ccccc2)Cc2ccccc2)C1 ZINC000113514850 1412311201 /nfs/dbraw/zinc/31/12/01/1412311201.db2.gz OIUIEXFAXKSVRO-QHCPKHFHSA-N 2 2 379.548 3.141 20 0 GGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCc1cn2c([nH+]1)CCCC2)c1ccccc1 ZINC000113595416 1412319338 /nfs/dbraw/zinc/31/93/38/1412319338.db2.gz NSMXYJOROKZDIU-QGZVFWFLSA-N 2 2 383.540 3.191 20 0 GGADLP CCOc1ccccc1C1=CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114455797 1412436579 /nfs/dbraw/zinc/43/65/79/1412436579.db2.gz IROXCKHSXKFDMS-UHFFFAOYSA-N 2 2 385.552 3.163 20 0 GGADLP CCOc1ccccc1C1=CC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114455797 1412436584 /nfs/dbraw/zinc/43/65/84/1412436584.db2.gz IROXCKHSXKFDMS-UHFFFAOYSA-N 2 2 385.552 3.163 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000114477875 1412442190 /nfs/dbraw/zinc/44/21/90/1412442190.db2.gz JHHAWJHUOMTTEQ-INIZCTEOSA-N 2 2 383.458 3.080 20 0 GGADLP C[NH+](C)C[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000114477875 1412442195 /nfs/dbraw/zinc/44/21/95/1412442195.db2.gz JHHAWJHUOMTTEQ-INIZCTEOSA-N 2 2 383.458 3.080 20 0 GGADLP CCOc1ccccc1OCC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261226 1428659182 /nfs/dbraw/zinc/65/91/82/1428659182.db2.gz WOWKPDMTLLSGFE-UHFFFAOYSA-N 2 2 383.536 3.498 20 0 GGADLP CCOc1ccccc1OCC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000177261226 1428659186 /nfs/dbraw/zinc/65/91/86/1428659186.db2.gz WOWKPDMTLLSGFE-UHFFFAOYSA-N 2 2 383.536 3.498 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000114785369 1412523806 /nfs/dbraw/zinc/52/38/06/1412523806.db2.gz NDPCLFSXHZHKBB-PMACEKPBSA-N 2 2 387.572 3.124 20 0 GGADLP C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000114785369 1412523810 /nfs/dbraw/zinc/52/38/10/1412523810.db2.gz NDPCLFSXHZHKBB-PMACEKPBSA-N 2 2 387.572 3.124 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000114787695 1412524586 /nfs/dbraw/zinc/52/45/86/1412524586.db2.gz YMLBQHZWZOBGHW-LJQANCHMSA-N 2 2 382.508 3.171 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1C ZINC000114787695 1412524588 /nfs/dbraw/zinc/52/45/88/1412524588.db2.gz YMLBQHZWZOBGHW-LJQANCHMSA-N 2 2 382.508 3.171 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1C ZINC000114787693 1412525027 /nfs/dbraw/zinc/52/50/27/1412525027.db2.gz YMLBQHZWZOBGHW-IBGZPJMESA-N 2 2 382.508 3.171 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1C ZINC000114787693 1412525035 /nfs/dbraw/zinc/52/50/35/1412525035.db2.gz YMLBQHZWZOBGHW-IBGZPJMESA-N 2 2 382.508 3.171 20 0 GGADLP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC000114799364 1412527460 /nfs/dbraw/zinc/52/74/60/1412527460.db2.gz ULFFUGQEAHGNEP-PKTZIBPZSA-N 2 2 392.547 3.217 20 0 GGADLP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH+]1Cc1cccnc1 ZINC000114799364 1412527469 /nfs/dbraw/zinc/52/74/69/1412527469.db2.gz ULFFUGQEAHGNEP-PKTZIBPZSA-N 2 2 392.547 3.217 20 0 GGADLP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000114799364 1412527478 /nfs/dbraw/zinc/52/74/78/1412527478.db2.gz ULFFUGQEAHGNEP-PKTZIBPZSA-N 2 2 392.547 3.217 20 0 GGADLP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cccnc1 ZINC000114799364 1412527484 /nfs/dbraw/zinc/52/74/84/1412527484.db2.gz ULFFUGQEAHGNEP-PKTZIBPZSA-N 2 2 392.547 3.217 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000114827017 1412534841 /nfs/dbraw/zinc/53/48/41/1412534841.db2.gz SZFONGJJJIEDDW-LJQANCHMSA-N 2 2 395.551 3.122 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c1 ZINC000114827017 1412534848 /nfs/dbraw/zinc/53/48/48/1412534848.db2.gz SZFONGJJJIEDDW-LJQANCHMSA-N 2 2 395.551 3.122 20 0 GGADLP C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000115675710 1412758968 /nfs/dbraw/zinc/75/89/68/1412758968.db2.gz JKPBRGPXRMPZOO-UYAOXDASSA-N 2 2 384.568 3.133 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)CC1 ZINC000116263819 1412846813 /nfs/dbraw/zinc/84/68/13/1412846813.db2.gz SATGGPFYLYFHFC-OALUTQOASA-N 2 2 395.551 3.323 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)CC1 ZINC000116263819 1412846816 /nfs/dbraw/zinc/84/68/16/1412846816.db2.gz SATGGPFYLYFHFC-OALUTQOASA-N 2 2 395.551 3.323 20 0 GGADLP O=C(COc1ccccc1C[NH2+]Cc1ccc(-n2cc[nH+]c2)cc1)NCC1CC1 ZINC000116336643 1412851091 /nfs/dbraw/zinc/85/10/91/1412851091.db2.gz GNPZSOUWIQDJMG-UHFFFAOYSA-N 2 2 390.487 3.067 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N3CCC[C@H](C(C)(C)C)CC3)CC2)CC1 ZINC000116540473 1412874625 /nfs/dbraw/zinc/87/46/25/1412874625.db2.gz QPVMQIGIBODHHF-SFHVURJKSA-N 2 2 378.605 3.403 20 0 GGADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000116643801 1412890815 /nfs/dbraw/zinc/89/08/15/1412890815.db2.gz DINGCSHJEVQZAF-JOCHJYFZSA-N 2 2 379.504 3.122 20 0 GGADLP O=C(Nc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000116643801 1412890818 /nfs/dbraw/zinc/89/08/18/1412890818.db2.gz DINGCSHJEVQZAF-JOCHJYFZSA-N 2 2 379.504 3.122 20 0 GGADLP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC000117800160 1413079779 /nfs/dbraw/zinc/07/97/79/1413079779.db2.gz FOJBLDAIGHDTMN-QFIPXVFZSA-N 2 2 396.535 3.405 20 0 GGADLP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC000117800160 1413079790 /nfs/dbraw/zinc/07/97/90/1413079790.db2.gz FOJBLDAIGHDTMN-QFIPXVFZSA-N 2 2 396.535 3.405 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177346550 1428701053 /nfs/dbraw/zinc/70/10/53/1428701053.db2.gz QCEFAQSAYCALQM-XLIONFOSSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177346550 1428701056 /nfs/dbraw/zinc/70/10/56/1428701056.db2.gz QCEFAQSAYCALQM-XLIONFOSSA-N 2 2 388.556 3.281 20 0 GGADLP Cc1ccc(-c2noc([C@H](C)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)n2)cc1F ZINC000177376043 1428710020 /nfs/dbraw/zinc/71/00/20/1428710020.db2.gz SZSILLQWSWPUPH-INIZCTEOSA-N 2 2 389.519 3.203 20 0 GGADLP Cc1ccc(-c2noc([C@H](C)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)n2)cc1F ZINC000177376043 1428710025 /nfs/dbraw/zinc/71/00/25/1428710025.db2.gz SZSILLQWSWPUPH-INIZCTEOSA-N 2 2 389.519 3.203 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000177380619 1428711378 /nfs/dbraw/zinc/71/13/78/1428711378.db2.gz TUASBLIPXPTEDA-GHTZIAJQSA-N 2 2 389.503 3.335 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000177380619 1428711381 /nfs/dbraw/zinc/71/13/81/1428711381.db2.gz TUASBLIPXPTEDA-GHTZIAJQSA-N 2 2 389.503 3.335 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000177380569 1428711426 /nfs/dbraw/zinc/71/14/26/1428711426.db2.gz TUASBLIPXPTEDA-NQIIRXRSSA-N 2 2 389.503 3.335 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)C[N@H+]1Cc1ccccc1 ZINC000177380569 1428711433 /nfs/dbraw/zinc/71/14/33/1428711433.db2.gz TUASBLIPXPTEDA-NQIIRXRSSA-N 2 2 389.503 3.335 20 0 GGADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)CC1 ZINC000177387111 1428714257 /nfs/dbraw/zinc/71/42/57/1428714257.db2.gz GUAADNRCZQQZQH-JOCHJYFZSA-N 2 2 395.551 3.489 20 0 GGADLP Cc1ccc([C@H](C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)o1 ZINC000118967366 1413278897 /nfs/dbraw/zinc/27/88/97/1413278897.db2.gz GYMPNFFHSZMLJX-RXVVDRJESA-N 2 2 380.492 3.498 20 0 GGADLP Cc1ccc([C@@H](C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)o1 ZINC000118967446 1413279002 /nfs/dbraw/zinc/27/90/02/1413279002.db2.gz GYMPNFFHSZMLJX-WIYYLYMNSA-N 2 2 380.492 3.498 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000119002810 1413300496 /nfs/dbraw/zinc/30/04/96/1413300496.db2.gz KKUCWXQCRPSRGB-IAGOWNOFSA-N 2 2 377.529 3.131 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000119002688 1413300692 /nfs/dbraw/zinc/30/06/92/1413300692.db2.gz KKUCWXQCRPSRGB-SJORKVTESA-N 2 2 377.529 3.131 20 0 GGADLP CCCCCC[C@H](C)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000119065990 1413323200 /nfs/dbraw/zinc/32/32/00/1413323200.db2.gz SVJXDMUBKNILQS-OALUTQOASA-N 2 2 375.561 3.231 20 0 GGADLP CN(CC[N@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1)C1CC[NH+](C)CC1 ZINC000177383072 1428712875 /nfs/dbraw/zinc/71/28/75/1428712875.db2.gz YHAXIITYLKKIHE-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP CN(CC[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1)C1CC[NH+](C)CC1 ZINC000177383072 1428712879 /nfs/dbraw/zinc/71/28/79/1428712879.db2.gz YHAXIITYLKKIHE-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)CC1 ZINC000119093764 1413333962 /nfs/dbraw/zinc/33/39/62/1413333962.db2.gz WZEZNBWGOXDTGY-KRWDZBQOSA-N 2 2 378.586 3.257 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000119129368 1413348366 /nfs/dbraw/zinc/34/83/66/1413348366.db2.gz JKMXNRKRTOQNRG-UHFFFAOYSA-N 2 2 389.544 3.004 20 0 GGADLP CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)cc1 ZINC000119137855 1413351954 /nfs/dbraw/zinc/35/19/54/1413351954.db2.gz SEWDOZKUKXXLCO-UHFFFAOYSA-N 2 2 381.520 3.105 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000119177931 1413366311 /nfs/dbraw/zinc/36/63/11/1413366311.db2.gz WVCKLBQKMGSZEC-KRWDZBQOSA-N 2 2 389.544 3.003 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000119177931 1413366319 /nfs/dbraw/zinc/36/63/19/1413366319.db2.gz WVCKLBQKMGSZEC-KRWDZBQOSA-N 2 2 389.544 3.003 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000119178106 1413366365 /nfs/dbraw/zinc/36/63/65/1413366365.db2.gz WVCKLBQKMGSZEC-QGZVFWFLSA-N 2 2 389.544 3.003 20 0 GGADLP Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000119178106 1413366375 /nfs/dbraw/zinc/36/63/75/1413366375.db2.gz WVCKLBQKMGSZEC-QGZVFWFLSA-N 2 2 389.544 3.003 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119290965 1413401190 /nfs/dbraw/zinc/40/11/90/1413401190.db2.gz RYMKDBWHIAMVFT-CVDCTZTESA-N 2 2 375.520 3.327 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119290965 1413401199 /nfs/dbraw/zinc/40/11/99/1413401199.db2.gz RYMKDBWHIAMVFT-CVDCTZTESA-N 2 2 375.520 3.327 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119322185 1413411662 /nfs/dbraw/zinc/41/16/62/1413411662.db2.gz FOFPXSJEDSXCJK-UHFFFAOYSA-N 2 2 395.547 3.250 20 0 GGADLP CN(C)C(=O)COc1ccccc1C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000119322185 1413411666 /nfs/dbraw/zinc/41/16/66/1413411666.db2.gz FOFPXSJEDSXCJK-UHFFFAOYSA-N 2 2 395.547 3.250 20 0 GGADLP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000119770684 1413562341 /nfs/dbraw/zinc/56/23/41/1413562341.db2.gz XQAYXLSWQNXVPY-MRXNPFEDSA-N 2 2 394.441 3.055 20 0 GGADLP C[C@H](CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@H+](C)Cc1ccccc1 ZINC000119782914 1413567765 /nfs/dbraw/zinc/56/77/65/1413567765.db2.gz PTTMFNBDIGMGKY-CTNGQTDRSA-N 2 2 397.567 3.295 20 0 GGADLP C[C@H](CCNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000119782914 1413567768 /nfs/dbraw/zinc/56/77/68/1413567768.db2.gz PTTMFNBDIGMGKY-CTNGQTDRSA-N 2 2 397.567 3.295 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000119874517 1413600982 /nfs/dbraw/zinc/60/09/82/1413600982.db2.gz JCSLPWZDPTVPRG-OXJNMPFZSA-N 2 2 382.508 3.027 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000119874517 1413600984 /nfs/dbraw/zinc/60/09/84/1413600984.db2.gz JCSLPWZDPTVPRG-OXJNMPFZSA-N 2 2 382.508 3.027 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000119893335 1413607877 /nfs/dbraw/zinc/60/78/77/1413607877.db2.gz FHRYJTLFUZUECA-RTWAWAEBSA-N 2 2 380.536 3.256 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000119893335 1413607889 /nfs/dbraw/zinc/60/78/89/1413607889.db2.gz FHRYJTLFUZUECA-RTWAWAEBSA-N 2 2 380.536 3.256 20 0 GGADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000120048425 1413667258 /nfs/dbraw/zinc/66/72/58/1413667258.db2.gz SHRHHKGTDGUDHG-HXUWFJFHSA-N 2 2 387.959 3.332 20 0 GGADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000120048425 1413667262 /nfs/dbraw/zinc/66/72/62/1413667262.db2.gz SHRHHKGTDGUDHG-HXUWFJFHSA-N 2 2 387.959 3.332 20 0 GGADLP CCc1ccc2c(C[NH+]3CCN(CC[N@H+]4[C@H](C)CC[C@@H]4C)CC3)cc(=O)oc2c1 ZINC000120050391 1413668004 /nfs/dbraw/zinc/66/80/04/1413668004.db2.gz HEKUCNKNXDQSFI-KDURUIRLSA-N 2 2 397.563 3.346 20 0 GGADLP CCc1ccc2c(C[NH+]3CCN(CC[N@@H+]4[C@H](C)CC[C@@H]4C)CC3)cc(=O)oc2c1 ZINC000120050391 1413668006 /nfs/dbraw/zinc/66/80/06/1413668006.db2.gz HEKUCNKNXDQSFI-KDURUIRLSA-N 2 2 397.563 3.346 20 0 GGADLP CC[C@@H](CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(OC)cc1 ZINC000120179667 1413720443 /nfs/dbraw/zinc/72/04/43/1413720443.db2.gz AIZYOWLMTYLPEP-SFHVURJKSA-N 2 2 387.568 3.254 20 0 GGADLP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000120372674 1413804460 /nfs/dbraw/zinc/80/44/60/1413804460.db2.gz YZCPDDHNIJSGTK-UHFFFAOYSA-N 2 2 384.459 3.056 20 0 GGADLP CC(C)CCC1CCN(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000120410414 1413812024 /nfs/dbraw/zinc/81/20/24/1413812024.db2.gz KKWFNXGTVXQNRL-UHFFFAOYSA-N 2 2 378.605 3.403 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000120418309 1413813410 /nfs/dbraw/zinc/81/34/10/1413813410.db2.gz SLGQMKOTJHSHIW-FQEVSTJZSA-N 2 2 399.539 3.150 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000120506198 1413832608 /nfs/dbraw/zinc/83/26/08/1413832608.db2.gz UWXDDTQEHZLGFY-UHFFFAOYSA-N 2 2 378.879 3.222 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000120627322 1413859357 /nfs/dbraw/zinc/85/93/57/1413859357.db2.gz HMAUVMAWDUEODD-QZTJIDSGSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000120627322 1413859359 /nfs/dbraw/zinc/85/93/59/1413859359.db2.gz HMAUVMAWDUEODD-QZTJIDSGSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000120627322 1413859361 /nfs/dbraw/zinc/85/93/61/1413859361.db2.gz HMAUVMAWDUEODD-QZTJIDSGSA-N 2 2 378.586 3.066 20 0 GGADLP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000120627322 1413859363 /nfs/dbraw/zinc/85/93/63/1413859363.db2.gz HMAUVMAWDUEODD-QZTJIDSGSA-N 2 2 378.586 3.066 20 0 GGADLP CC[C@@H]1CCCC[C@H]1[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120674100 1413871726 /nfs/dbraw/zinc/87/17/26/1413871726.db2.gz NNUFHEFXVWDJHJ-DENIHFKCSA-N 2 2 387.568 3.036 20 0 GGADLP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000120674100 1413871728 /nfs/dbraw/zinc/87/17/28/1413871728.db2.gz NNUFHEFXVWDJHJ-DENIHFKCSA-N 2 2 387.568 3.036 20 0 GGADLP Cc1cc(Cl)ccc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177486494 1428763452 /nfs/dbraw/zinc/76/34/52/1428763452.db2.gz IPYMTGFMQWRDLX-INIZCTEOSA-N 2 2 381.948 3.454 20 0 GGADLP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000177490106 1428765660 /nfs/dbraw/zinc/76/56/60/1428765660.db2.gz ALOBBNNHFWRCQO-INIZCTEOSA-N 2 2 381.948 3.454 20 0 GGADLP Cc1[nH]ncc1C[NH2+]CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000120951648 1413958018 /nfs/dbraw/zinc/95/80/18/1413958018.db2.gz HTXLRCFKGRXFBM-UHFFFAOYSA-N 2 2 395.473 3.429 20 0 GGADLP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000120960729 1413960566 /nfs/dbraw/zinc/96/05/66/1413960566.db2.gz RWKYFRAGVWAORA-GHTZIAJQSA-N 2 2 393.535 3.185 20 0 GGADLP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000120960881 1413960774 /nfs/dbraw/zinc/96/07/74/1413960774.db2.gz RWKYFRAGVWAORA-WIYYLYMNSA-N 2 2 393.535 3.185 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000121139639 1414021704 /nfs/dbraw/zinc/02/17/04/1414021704.db2.gz WRBSDULBLRUYIZ-QGZVFWFLSA-N 2 2 399.539 3.070 20 0 GGADLP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ncc(-c2ccccc2)o1 ZINC000121139639 1414021707 /nfs/dbraw/zinc/02/17/07/1414021707.db2.gz WRBSDULBLRUYIZ-QGZVFWFLSA-N 2 2 399.539 3.070 20 0 GGADLP COCOc1ccc(OC)cc1C[NH2+]C1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000121234618 1414053484 /nfs/dbraw/zinc/05/34/84/1414053484.db2.gz OYKMJXKTVHSPCW-QGZVFWFLSA-N 2 2 385.508 3.388 20 0 GGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121312163 1414080457 /nfs/dbraw/zinc/08/04/57/1414080457.db2.gz FUDVQJLULICTRO-ZLNRFVROSA-N 2 2 383.580 3.132 20 0 GGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121452583 1414129009 /nfs/dbraw/zinc/12/90/09/1414129009.db2.gz CBTDLWMBMWUWQO-AZUAARDMSA-N 2 2 396.510 3.137 20 0 GGADLP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000121452583 1414129018 /nfs/dbraw/zinc/12/90/18/1414129018.db2.gz CBTDLWMBMWUWQO-AZUAARDMSA-N 2 2 396.510 3.137 20 0 GGADLP COc1ccccc1COC[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121624004 1414204285 /nfs/dbraw/zinc/20/42/85/1414204285.db2.gz FCXCJLJQMAAPEE-QHCPKHFHSA-N 2 2 398.547 3.169 20 0 GGADLP COc1ccccc1COC[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000121624004 1414204293 /nfs/dbraw/zinc/20/42/93/1414204293.db2.gz FCXCJLJQMAAPEE-QHCPKHFHSA-N 2 2 398.547 3.169 20 0 GGADLP C[C@@H]1CC[N@H+](Cn2c(=O)oc3cc(Br)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000121643927 1414210182 /nfs/dbraw/zinc/21/01/82/1414210182.db2.gz LOVJYQVMLDCMED-DOMZBBRYSA-N 2 2 391.269 3.094 20 0 GGADLP C[C@@H]1CC[N@@H+](Cn2c(=O)oc3cc(Br)ccc32)C[C@@H]1n1cc[nH+]c1 ZINC000121643927 1414210189 /nfs/dbraw/zinc/21/01/89/1414210189.db2.gz LOVJYQVMLDCMED-DOMZBBRYSA-N 2 2 391.269 3.094 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@@H+]1Cc1ccccc1 ZINC000121753161 1414246815 /nfs/dbraw/zinc/24/68/15/1414246815.db2.gz YYSVDRSYZTXPOW-NQIIRXRSSA-N 2 2 393.535 3.144 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)C[N@H+]1Cc1ccccc1 ZINC000121753161 1414246821 /nfs/dbraw/zinc/24/68/21/1414246821.db2.gz YYSVDRSYZTXPOW-NQIIRXRSSA-N 2 2 393.535 3.144 20 0 GGADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000121892926 1414294929 /nfs/dbraw/zinc/29/49/29/1414294929.db2.gz BXXFVYIABUZRDI-NRFANRHFSA-N 2 2 398.526 3.395 20 0 GGADLP Cn1cc[nH+]c1CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000121892926 1414294934 /nfs/dbraw/zinc/29/49/34/1414294934.db2.gz BXXFVYIABUZRDI-NRFANRHFSA-N 2 2 398.526 3.395 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000122197980 1414386072 /nfs/dbraw/zinc/38/60/72/1414386072.db2.gz QFCPTRYQJIKOAM-HMXCVIKNSA-N 2 2 393.535 3.013 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1Cc1ccccc1 ZINC000122197980 1414386080 /nfs/dbraw/zinc/38/60/80/1414386080.db2.gz QFCPTRYQJIKOAM-HMXCVIKNSA-N 2 2 393.535 3.013 20 0 GGADLP CCCOc1cc(F)ccc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000122200800 1414386774 /nfs/dbraw/zinc/38/67/74/1414386774.db2.gz JQOXDSGBLBZAGP-UHFFFAOYSA-N 2 2 392.519 3.295 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)cc1F ZINC000122208649 1414388554 /nfs/dbraw/zinc/38/85/54/1414388554.db2.gz HLXGWRYSHVQOEI-OAHLLOKOSA-N 2 2 387.480 3.272 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000122226807 1414394698 /nfs/dbraw/zinc/39/46/98/1414394698.db2.gz PHNARLGEXISFKY-UHFFFAOYSA-N 2 2 399.938 3.488 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(F)cc2Cl)CC1 ZINC000122226807 1414394704 /nfs/dbraw/zinc/39/47/04/1414394704.db2.gz PHNARLGEXISFKY-UHFFFAOYSA-N 2 2 399.938 3.488 20 0 GGADLP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000122229378 1414395705 /nfs/dbraw/zinc/39/57/05/1414395705.db2.gz BBRBHWKNDWTBFV-MRXNPFEDSA-N 2 2 396.963 3.132 20 0 GGADLP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cccnc2Cl)CC1 ZINC000122229378 1414395710 /nfs/dbraw/zinc/39/57/10/1414395710.db2.gz BBRBHWKNDWTBFV-MRXNPFEDSA-N 2 2 396.963 3.132 20 0 GGADLP C[C@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1cccc(-n2cnnn2)c1 ZINC000122323080 1414423905 /nfs/dbraw/zinc/42/39/05/1414423905.db2.gz QWPHEJVDZMNENT-KRWDZBQOSA-N 2 2 391.523 3.048 20 0 GGADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000122326943 1414425008 /nfs/dbraw/zinc/42/50/08/1414425008.db2.gz PYKWSTJZHSPPHL-FPOVZHCZSA-N 2 2 386.561 3.003 20 0 GGADLP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000122326943 1414425011 /nfs/dbraw/zinc/42/50/11/1414425011.db2.gz PYKWSTJZHSPPHL-FPOVZHCZSA-N 2 2 386.561 3.003 20 0 GGADLP C[C@@H]([NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000122356177 1414432701 /nfs/dbraw/zinc/43/27/01/1414432701.db2.gz UGKBJNPNHMBBBT-QGZVFWFLSA-N 2 2 391.523 3.048 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122393075 1414444771 /nfs/dbraw/zinc/44/47/71/1414444771.db2.gz XEZFJNLHQLMZRY-UGKGYDQZSA-N 3 2 382.552 3.022 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000122393075 1414444774 /nfs/dbraw/zinc/44/47/74/1414444774.db2.gz XEZFJNLHQLMZRY-UGKGYDQZSA-N 3 2 382.552 3.022 20 0 GGADLP CSc1c(F)cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000122417068 1414453164 /nfs/dbraw/zinc/45/31/64/1414453164.db2.gz ZZWOWSMEWCSLOM-UHFFFAOYSA-N 2 2 398.523 3.367 20 0 GGADLP Cc1ccc([C@H](CNC(=O)NCc2ccn3cc[nH+]c3c2)[NH+]2CCCC2)cc1 ZINC000177608387 1428809696 /nfs/dbraw/zinc/80/96/96/1428809696.db2.gz BHKZGOBEMKWLBQ-FQEVSTJZSA-N 2 2 377.492 3.279 20 0 GGADLP Cc1c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cccc1-c1ccccn1 ZINC000122484556 1414477191 /nfs/dbraw/zinc/47/71/91/1414477191.db2.gz TVTHFUQAICQIEW-UHFFFAOYSA-N 2 2 380.536 3.155 20 0 GGADLP Cc1c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cccc1-c1ccccn1 ZINC000122484556 1414477194 /nfs/dbraw/zinc/47/71/94/1414477194.db2.gz TVTHFUQAICQIEW-UHFFFAOYSA-N 2 2 380.536 3.155 20 0 GGADLP C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@@H+]1CCc2sccc2C1 ZINC000122582181 1414507409 /nfs/dbraw/zinc/50/74/09/1414507409.db2.gz AMHHOIXTDODJRS-INIZCTEOSA-N 2 2 380.517 3.170 20 0 GGADLP C[C@@H](CNC(=O)c1ccc(Cn2cc[nH+]c2)cc1)[N@H+]1CCc2sccc2C1 ZINC000122582181 1414507420 /nfs/dbraw/zinc/50/74/20/1414507420.db2.gz AMHHOIXTDODJRS-INIZCTEOSA-N 2 2 380.517 3.170 20 0 GGADLP COC(=O)c1nn(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc21 ZINC000177627321 1428815406 /nfs/dbraw/zinc/81/54/06/1428815406.db2.gz WEPMXGMYAXPEIF-IBGZPJMESA-N 2 2 392.503 3.234 20 0 GGADLP COC(=O)c1nn(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c2ccccc21 ZINC000177627321 1428815408 /nfs/dbraw/zinc/81/54/08/1428815408.db2.gz WEPMXGMYAXPEIF-IBGZPJMESA-N 2 2 392.503 3.234 20 0 GGADLP COC(=O)c1nn(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000177627321 1428815410 /nfs/dbraw/zinc/81/54/10/1428815410.db2.gz WEPMXGMYAXPEIF-IBGZPJMESA-N 2 2 392.503 3.234 20 0 GGADLP COC(=O)c1nn(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000177627321 1428815411 /nfs/dbraw/zinc/81/54/11/1428815411.db2.gz WEPMXGMYAXPEIF-IBGZPJMESA-N 2 2 392.503 3.234 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 ZINC000122676945 1414536320 /nfs/dbraw/zinc/53/63/20/1414536320.db2.gz QXXASDQYXJAGRW-GOSISDBHSA-N 2 2 381.467 3.247 20 0 GGADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000122908693 1414594348 /nfs/dbraw/zinc/59/43/48/1414594348.db2.gz PWARQYPUICICRL-IHPCNDPISA-N 2 2 390.572 3.431 20 0 GGADLP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000122908693 1414594356 /nfs/dbraw/zinc/59/43/56/1414594356.db2.gz PWARQYPUICICRL-IHPCNDPISA-N 2 2 390.572 3.431 20 0 GGADLP CC(C)Cn1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000122916526 1414596544 /nfs/dbraw/zinc/59/65/44/1414596544.db2.gz SEQGETIIXGGOSS-UHFFFAOYSA-N 2 2 384.568 3.395 20 0 GGADLP CC(C)Cn1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ccccc21 ZINC000122916526 1414596547 /nfs/dbraw/zinc/59/65/47/1414596547.db2.gz SEQGETIIXGGOSS-UHFFFAOYSA-N 2 2 384.568 3.395 20 0 GGADLP COCC[NH+]1CCC([NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3)c2C)CC1 ZINC000123096869 1414640604 /nfs/dbraw/zinc/64/06/04/1414640604.db2.gz RYXVOXQGLQHZGC-UHFFFAOYSA-N 2 2 390.959 3.402 20 0 GGADLP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000123097825 1414641069 /nfs/dbraw/zinc/64/10/69/1414641069.db2.gz NISXAEOSQIEZIF-RTWAWAEBSA-N 2 2 392.547 3.292 20 0 GGADLP CC1(C)[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H]1c1ccccc1 ZINC000123097620 1414641098 /nfs/dbraw/zinc/64/10/98/1414641098.db2.gz NISXAEOSQIEZIF-SFTDATJTSA-N 2 2 392.547 3.292 20 0 GGADLP CC1(C)[C@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H]1c1ccccc1 ZINC000123098266 1414641114 /nfs/dbraw/zinc/64/11/14/1414641114.db2.gz NISXAEOSQIEZIF-NHCUHLMSSA-N 2 2 392.547 3.292 20 0 GGADLP Cc1ccc(Nc2nc(N)nc(C[NH+]3CCC(CCC[NH+](C)C)CC3)n2)cc1 ZINC000123297091 1414690515 /nfs/dbraw/zinc/69/05/15/1414690515.db2.gz SWDNEVZNZOIBBP-UHFFFAOYSA-N 2 2 383.544 3.060 20 0 GGADLP CCOc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000123561174 1414775043 /nfs/dbraw/zinc/77/50/43/1414775043.db2.gz OMDNCCLDNIVDAI-INIZCTEOSA-N 2 2 381.480 3.324 20 0 GGADLP CCOc1ccc(-c2noc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000123561174 1414775053 /nfs/dbraw/zinc/77/50/53/1414775053.db2.gz OMDNCCLDNIVDAI-INIZCTEOSA-N 2 2 381.480 3.324 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000123628145 1414800430 /nfs/dbraw/zinc/80/04/30/1414800430.db2.gz OHOVAUHUMAYDBU-INIZCTEOSA-N 2 2 377.488 3.470 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc4c(cc23)CCC4)C1 ZINC000123628145 1414800431 /nfs/dbraw/zinc/80/04/31/1414800431.db2.gz OHOVAUHUMAYDBU-INIZCTEOSA-N 2 2 377.488 3.470 20 0 GGADLP Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123691522 1414810638 /nfs/dbraw/zinc/81/06/38/1414810638.db2.gz ZWBDOOIEMDJHBU-LJQANCHMSA-N 2 2 379.508 3.187 20 0 GGADLP Cn1ccnc1COc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123691522 1414810643 /nfs/dbraw/zinc/81/06/43/1414810643.db2.gz ZWBDOOIEMDJHBU-LJQANCHMSA-N 2 2 379.508 3.187 20 0 GGADLP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123720017 1414815052 /nfs/dbraw/zinc/81/50/52/1414815052.db2.gz DGADDGVPKHHMEK-HUUCEWRRSA-N 2 2 383.521 3.312 20 0 GGADLP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123720017 1414815057 /nfs/dbraw/zinc/81/50/57/1414815057.db2.gz DGADDGVPKHHMEK-HUUCEWRRSA-N 2 2 383.521 3.312 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000123805966 1414827173 /nfs/dbraw/zinc/82/71/73/1414827173.db2.gz QVNTUUBDNOKSTC-AWEZNQCLSA-N 2 2 380.414 3.332 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000123805966 1414827174 /nfs/dbraw/zinc/82/71/74/1414827174.db2.gz QVNTUUBDNOKSTC-AWEZNQCLSA-N 2 2 380.414 3.332 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000123822563 1414829736 /nfs/dbraw/zinc/82/97/36/1414829736.db2.gz NZPGOZCTRXNTTI-CYBMUJFWSA-N 2 2 387.484 3.062 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1 ZINC000123822563 1414829738 /nfs/dbraw/zinc/82/97/38/1414829738.db2.gz NZPGOZCTRXNTTI-CYBMUJFWSA-N 2 2 387.484 3.062 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H](CO)Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000124072777 1414880535 /nfs/dbraw/zinc/88/05/35/1414880535.db2.gz QNRSZXBXOWWMBC-HXUWFJFHSA-N 2 2 392.547 3.396 20 0 GGADLP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000124153489 1414896528 /nfs/dbraw/zinc/89/65/28/1414896528.db2.gz SEVUORFQPBGGNW-UHFFFAOYSA-N 2 2 395.931 3.104 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@H+](C)CCCn1cc[nH+]c1 ZINC000124245243 1414919167 /nfs/dbraw/zinc/91/91/67/1414919167.db2.gz QSZOEEDMFRLKIF-SFHVURJKSA-N 2 2 390.487 3.463 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1 ZINC000124245243 1414919170 /nfs/dbraw/zinc/91/91/70/1414919170.db2.gz QSZOEEDMFRLKIF-SFHVURJKSA-N 2 2 390.487 3.463 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000124250681 1414920686 /nfs/dbraw/zinc/92/06/86/1414920686.db2.gz DBPWYANWJOPSMN-FQEVSTJZSA-N 2 2 386.496 3.311 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000124250681 1414920691 /nfs/dbraw/zinc/92/06/91/1414920691.db2.gz DBPWYANWJOPSMN-FQEVSTJZSA-N 2 2 386.496 3.311 20 0 GGADLP C[C@H]1CCc2c(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)csc2C1 ZINC000124382706 1414953676 /nfs/dbraw/zinc/95/36/76/1414953676.db2.gz QMUTYPWWRBHBEV-HNNXBMFYSA-N 2 2 375.582 3.161 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000124414466 1414962687 /nfs/dbraw/zinc/96/26/87/1414962687.db2.gz BBLFZGUDESJINY-QGZVFWFLSA-N 2 2 397.504 3.237 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC000124414466 1414962692 /nfs/dbraw/zinc/96/26/92/1414962692.db2.gz BBLFZGUDESJINY-QGZVFWFLSA-N 2 2 397.504 3.237 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000124459182 1414973331 /nfs/dbraw/zinc/97/33/31/1414973331.db2.gz DZUNPJSBOKOBPO-KRWDZBQOSA-N 2 2 397.504 3.237 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000124459182 1414973335 /nfs/dbraw/zinc/97/33/35/1414973335.db2.gz DZUNPJSBOKOBPO-KRWDZBQOSA-N 2 2 397.504 3.237 20 0 GGADLP CCC(CC)n1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C ZINC000124502017 1414982777 /nfs/dbraw/zinc/98/27/77/1414982777.db2.gz BBEMRAAIBYCIDD-UHFFFAOYSA-N 2 2 389.588 3.233 20 0 GGADLP Cc1cccc(OCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124517606 1414985722 /nfs/dbraw/zinc/98/57/22/1414985722.db2.gz RAKKLMWAXGTTJJ-FCHUYYIVSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1cccc(OCC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124517606 1414985726 /nfs/dbraw/zinc/98/57/26/1414985726.db2.gz RAKKLMWAXGTTJJ-FCHUYYIVSA-N 2 2 387.568 3.169 20 0 GGADLP CN(C(=O)COc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124519292 1414986557 /nfs/dbraw/zinc/98/65/57/1414986557.db2.gz LPQPHHXOKKXAOW-SFTDATJTSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)COc1ccc(F)cc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124519292 1414986559 /nfs/dbraw/zinc/98/65/59/1414986559.db2.gz LPQPHHXOKKXAOW-SFTDATJTSA-N 2 2 391.531 3.000 20 0 GGADLP CSc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124542938 1414990332 /nfs/dbraw/zinc/99/03/32/1414990332.db2.gz LPDINCGVLANNMZ-SJORKVTESA-N 2 2 379.570 3.411 20 0 GGADLP CSc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)o1 ZINC000124542938 1414990334 /nfs/dbraw/zinc/99/03/34/1414990334.db2.gz LPDINCGVLANNMZ-SJORKVTESA-N 2 2 379.570 3.411 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124563828 1414994860 /nfs/dbraw/zinc/99/48/60/1414994860.db2.gz AKOCWFIRAWVXQB-SFTDATJTSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000124563828 1414994863 /nfs/dbraw/zinc/99/48/63/1414994863.db2.gz AKOCWFIRAWVXQB-SFTDATJTSA-N 2 2 391.531 3.244 20 0 GGADLP Cc1ccc(OCC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124564703 1414995631 /nfs/dbraw/zinc/99/56/31/1414995631.db2.gz WSAVXZLZVBPFPD-YADHBBJMSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccc(OCC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124564703 1414995636 /nfs/dbraw/zinc/99/56/36/1414995636.db2.gz WSAVXZLZVBPFPD-YADHBBJMSA-N 2 2 387.568 3.169 20 0 GGADLP CN(C(=O)c1cc(Cl)ccn1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124570545 1414996904 /nfs/dbraw/zinc/99/69/04/1414996904.db2.gz XAWOYCUYUAWITJ-OALUTQOASA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)c1cc(Cl)ccn1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124570545 1414996908 /nfs/dbraw/zinc/99/69/08/1414996908.db2.gz XAWOYCUYUAWITJ-OALUTQOASA-N 2 2 378.948 3.144 20 0 GGADLP CN(C(=O)CC1CCSCC1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124578261 1414997851 /nfs/dbraw/zinc/99/78/51/1414997851.db2.gz DAXKFBDGEOCDMV-UXHICEINSA-N 2 2 381.630 3.315 20 0 GGADLP CN(C(=O)CC1CCSCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124578261 1414997853 /nfs/dbraw/zinc/99/78/53/1414997853.db2.gz DAXKFBDGEOCDMV-UXHICEINSA-N 2 2 381.630 3.315 20 0 GGADLP Cc1ncc(/C=C/C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124586420 1414999632 /nfs/dbraw/zinc/99/96/32/1414999632.db2.gz LHDDNUQAVWBNQR-JNTVOPSESA-N 2 2 390.597 3.260 20 0 GGADLP Cc1ncc(/C=C/C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124586420 1414999636 /nfs/dbraw/zinc/99/96/36/1414999636.db2.gz LHDDNUQAVWBNQR-JNTVOPSESA-N 2 2 390.597 3.260 20 0 GGADLP Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124596160 1415001958 /nfs/dbraw/zinc/00/19/58/1415001958.db2.gz DWNYXYXCRGIBSX-LEWJYISDSA-N 2 2 390.572 3.020 20 0 GGADLP Cc1noc(C)c1CCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124596160 1415001963 /nfs/dbraw/zinc/00/19/63/1415001963.db2.gz DWNYXYXCRGIBSX-LEWJYISDSA-N 2 2 390.572 3.020 20 0 GGADLP Cc1noc(C)c1CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124596374 1415002087 /nfs/dbraw/zinc/00/20/87/1415002087.db2.gz DWNYXYXCRGIBSX-SFTDATJTSA-N 2 2 390.572 3.020 20 0 GGADLP Cc1noc(C)c1CCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124596374 1415002094 /nfs/dbraw/zinc/00/20/94/1415002094.db2.gz DWNYXYXCRGIBSX-SFTDATJTSA-N 2 2 390.572 3.020 20 0 GGADLP CN(C(=O)CCc1ccsc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124603992 1415003909 /nfs/dbraw/zinc/00/39/09/1415003909.db2.gz RUMAWMOILAKUOA-UXHICEINSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)CCc1ccsc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124603992 1415003914 /nfs/dbraw/zinc/00/39/14/1415003914.db2.gz RUMAWMOILAKUOA-UXHICEINSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)C1=Cc2ccccc2OC1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124611034 1415005685 /nfs/dbraw/zinc/00/56/85/1415005685.db2.gz IJAWUWXVCWYFJR-VXKWHMMOSA-N 2 2 397.563 3.258 20 0 GGADLP CN(C(=O)C1=Cc2ccccc2OC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124611034 1415005690 /nfs/dbraw/zinc/00/56/90/1415005690.db2.gz IJAWUWXVCWYFJR-VXKWHMMOSA-N 2 2 397.563 3.258 20 0 GGADLP CN(C(=O)Cc1c(F)cccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124623203 1415007616 /nfs/dbraw/zinc/00/76/16/1415007616.db2.gz UGPCAVPOVAKJAY-SFTDATJTSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1c(F)cccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124623203 1415007620 /nfs/dbraw/zinc/00/76/20/1415007620.db2.gz UGPCAVPOVAKJAY-SFTDATJTSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)on1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124627006 1415008780 /nfs/dbraw/zinc/00/87/80/1415008780.db2.gz LNHPVWBUVAWYFL-RTBURBONSA-N 2 2 390.572 3.381 20 0 GGADLP CN(C(=O)c1cc(C(C)(C)C)on1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124627006 1415008788 /nfs/dbraw/zinc/00/87/88/1415008788.db2.gz LNHPVWBUVAWYFL-RTBURBONSA-N 2 2 390.572 3.381 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000124638897 1415010711 /nfs/dbraw/zinc/01/07/11/1415010711.db2.gz PGUOYCDYUPWBDJ-UHFFFAOYSA-N 2 2 397.523 3.444 20 0 GGADLP CCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124642484 1415012031 /nfs/dbraw/zinc/01/20/31/1415012031.db2.gz GGNHOUHZULFFEC-DLBZAZTESA-N 2 2 378.586 3.115 20 0 GGADLP CCc1ncc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000124642484 1415012036 /nfs/dbraw/zinc/01/20/36/1415012036.db2.gz GGNHOUHZULFFEC-DLBZAZTESA-N 2 2 378.586 3.115 20 0 GGADLP CN(C(=O)c1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124663433 1415016368 /nfs/dbraw/zinc/01/63/68/1415016368.db2.gz ALBCVUBDURWLMY-PMACEKPBSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cc(F)ccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124663433 1415016371 /nfs/dbraw/zinc/01/63/71/1415016371.db2.gz ALBCVUBDURWLMY-PMACEKPBSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124665121 1415017292 /nfs/dbraw/zinc/01/72/92/1415017292.db2.gz QWPKLQYTBVJCSQ-RTWAWAEBSA-N 2 2 375.532 3.164 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124665121 1415017297 /nfs/dbraw/zinc/01/72/97/1415017297.db2.gz QWPKLQYTBVJCSQ-RTWAWAEBSA-N 2 2 375.532 3.164 20 0 GGADLP c1ccc(N2CCC([NH2+]CCC[NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000124680788 1415020165 /nfs/dbraw/zinc/02/01/65/1415020165.db2.gz MQDZHMRZJQUMRB-UHFFFAOYSA-N 2 2 378.564 3.457 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000124681025 1415020216 /nfs/dbraw/zinc/02/02/16/1415020216.db2.gz UFCGTLUGADTOED-OAQYLSRUSA-N 2 2 397.567 3.141 20 0 GGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCc2[nH+]ccn2Cc2ccccc2)C1 ZINC000124681025 1415020222 /nfs/dbraw/zinc/02/02/22/1415020222.db2.gz UFCGTLUGADTOED-OAQYLSRUSA-N 2 2 397.567 3.141 20 0 GGADLP CN(C(=O)CCCc1ccccn1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124685421 1415021380 /nfs/dbraw/zinc/02/13/80/1415021380.db2.gz KRDWHHUNYXXSAI-YADHBBJMSA-N 2 2 386.584 3.200 20 0 GGADLP CN(C(=O)CCCc1ccccn1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124685421 1415021387 /nfs/dbraw/zinc/02/13/87/1415021387.db2.gz KRDWHHUNYXXSAI-YADHBBJMSA-N 2 2 386.584 3.200 20 0 GGADLP Cc1ccccc1OCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124693937 1415023242 /nfs/dbraw/zinc/02/32/42/1415023242.db2.gz WUYKNDDRLPKWEA-LEWJYISDSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccccc1OCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124693937 1415023247 /nfs/dbraw/zinc/02/32/47/1415023247.db2.gz WUYKNDDRLPKWEA-LEWJYISDSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccccc1OCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124694153 1415023298 /nfs/dbraw/zinc/02/32/98/1415023298.db2.gz WUYKNDDRLPKWEA-SFTDATJTSA-N 2 2 387.568 3.169 20 0 GGADLP Cc1ccccc1OCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124694153 1415023302 /nfs/dbraw/zinc/02/33/02/1415023302.db2.gz WUYKNDDRLPKWEA-SFTDATJTSA-N 2 2 387.568 3.169 20 0 GGADLP C[C@@H]([NH2+]CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(-n2cncn2)cc1 ZINC000124696236 1415023847 /nfs/dbraw/zinc/02/38/47/1415023847.db2.gz OCCYGKUGMQIMRA-HXUWFJFHSA-N 2 2 390.535 3.130 20 0 GGADLP CN(C(=O)c1cc(-c2ccco2)n[nH]1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124742719 1415034237 /nfs/dbraw/zinc/03/42/37/1415034237.db2.gz OLVVUKZNYJYCHG-UXHICEINSA-N 2 2 399.539 3.079 20 0 GGADLP CN(C(=O)c1cc(-c2ccco2)n[nH]1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124742719 1415034242 /nfs/dbraw/zinc/03/42/42/1415034242.db2.gz OLVVUKZNYJYCHG-UXHICEINSA-N 2 2 399.539 3.079 20 0 GGADLP CN(C(=O)[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124767023 1415039838 /nfs/dbraw/zinc/03/98/38/1415039838.db2.gz WHFPRWOZXWVCSC-VSKRKVRLSA-N 2 2 399.579 3.348 20 0 GGADLP CN(C(=O)[C@@H]1CCOc2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124767023 1415039845 /nfs/dbraw/zinc/03/98/45/1415039845.db2.gz WHFPRWOZXWVCSC-VSKRKVRLSA-N 2 2 399.579 3.348 20 0 GGADLP C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124768366 1415040274 /nfs/dbraw/zinc/04/02/74/1415040274.db2.gz BGMXVKVGYRSMFP-ZDFPQIBNSA-N 2 2 393.616 3.377 20 0 GGADLP C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124768366 1415040279 /nfs/dbraw/zinc/04/02/79/1415040279.db2.gz BGMXVKVGYRSMFP-ZDFPQIBNSA-N 2 2 393.616 3.377 20 0 GGADLP C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000177799210 1428860681 /nfs/dbraw/zinc/86/06/81/1428860681.db2.gz IHCFJLXJLGYTKS-KNQAVFIVSA-N 2 2 395.551 3.388 20 0 GGADLP CCOc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124780918 1415042791 /nfs/dbraw/zinc/04/27/91/1415042791.db2.gz HNTFXXWVONPEKF-VXKWHMMOSA-N 2 2 387.568 3.495 20 0 GGADLP CCOc1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124780918 1415042798 /nfs/dbraw/zinc/04/27/98/1415042798.db2.gz HNTFXXWVONPEKF-VXKWHMMOSA-N 2 2 387.568 3.495 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000124782409 1415043354 /nfs/dbraw/zinc/04/33/54/1415043354.db2.gz SIGMLZTVMXJYJC-RBBKRZOGSA-N 2 2 393.535 3.090 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000124782409 1415043359 /nfs/dbraw/zinc/04/33/59/1415043359.db2.gz SIGMLZTVMXJYJC-RBBKRZOGSA-N 2 2 393.535 3.090 20 0 GGADLP COc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124817654 1415051710 /nfs/dbraw/zinc/05/17/10/1415051710.db2.gz IVTLUAGMFJEZCC-YADHBBJMSA-N 2 2 387.568 3.033 20 0 GGADLP COc1ccc(CC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000124817654 1415051713 /nfs/dbraw/zinc/05/17/13/1415051713.db2.gz IVTLUAGMFJEZCC-YADHBBJMSA-N 2 2 387.568 3.033 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124840688 1415056410 /nfs/dbraw/zinc/05/64/10/1415056410.db2.gz JNSNMCGZDRIFKC-SFTDATJTSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1ccc(F)cc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124840688 1415056413 /nfs/dbraw/zinc/05/64/13/1415056413.db2.gz JNSNMCGZDRIFKC-SFTDATJTSA-N 2 2 393.522 3.303 20 0 GGADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000124841160 1415056910 /nfs/dbraw/zinc/05/69/10/1415056910.db2.gz UWLFCVWPYMZDRN-BVYCBKJFSA-N 2 2 386.584 3.371 20 0 GGADLP C[C@H](CC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccncc1 ZINC000124841160 1415056916 /nfs/dbraw/zinc/05/69/16/1415056916.db2.gz UWLFCVWPYMZDRN-BVYCBKJFSA-N 2 2 386.584 3.371 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(OC)c1 ZINC000177805197 1428861735 /nfs/dbraw/zinc/86/17/35/1428861735.db2.gz UOQNJKBFMSVVJC-MRXNPFEDSA-N 2 2 394.475 3.396 20 0 GGADLP COc1cc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)ccc1S(C)(=O)=O ZINC000177806402 1428861877 /nfs/dbraw/zinc/86/18/77/1428861877.db2.gz RPQYPYYCPZRHGR-HNNXBMFYSA-N 2 2 385.489 3.135 20 0 GGADLP COc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124853619 1415059628 /nfs/dbraw/zinc/05/96/28/1415059628.db2.gz PUJFTGIWKBBQBM-VXKWHMMOSA-N 2 2 387.568 3.033 20 0 GGADLP COc1cccc(CC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000124853619 1415059633 /nfs/dbraw/zinc/05/96/33/1415059633.db2.gz PUJFTGIWKBBQBM-VXKWHMMOSA-N 2 2 387.568 3.033 20 0 GGADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000177806693 1428862040 /nfs/dbraw/zinc/86/20/40/1428862040.db2.gz CQWZCFSPBSAZJN-INIZCTEOSA-N 2 2 384.505 3.485 20 0 GGADLP CN(C(=O)CC[C@@H]1CCCCO1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000124886860 1415067139 /nfs/dbraw/zinc/06/71/39/1415067139.db2.gz BKUPHMBMBDQNQQ-HBMCJLEFSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)CC[C@@H]1CCCCO1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000124886860 1415067141 /nfs/dbraw/zinc/06/71/41/1415067141.db2.gz BKUPHMBMBDQNQQ-HBMCJLEFSA-N 2 2 379.589 3.131 20 0 GGADLP COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125015815 1415092232 /nfs/dbraw/zinc/09/22/32/1415092232.db2.gz CIXXRRWOZPUQIL-GOSISDBHSA-N 2 2 397.519 3.207 20 0 GGADLP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccccc2S(=O)(=O)N2CCCCC2)CC1 ZINC000177823048 1428865223 /nfs/dbraw/zinc/86/52/23/1428865223.db2.gz QYFLWJIIIDURRB-UHFFFAOYSA-N 2 2 393.597 3.214 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000125350041 1415172512 /nfs/dbraw/zinc/17/25/12/1415172512.db2.gz WAGJCRKNULTPOV-IBGZPJMESA-N 2 2 395.551 3.068 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCc1cn2c([nH+]1)CCCC2 ZINC000125350041 1415172520 /nfs/dbraw/zinc/17/25/20/1415172520.db2.gz WAGJCRKNULTPOV-IBGZPJMESA-N 2 2 395.551 3.068 20 0 GGADLP CCCOc1cc(F)ccc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000125508803 1415216885 /nfs/dbraw/zinc/21/68/85/1415216885.db2.gz MFDAYYNXAVRIIK-UHFFFAOYSA-N 2 2 380.508 3.104 20 0 GGADLP CCCOc1cc(F)ccc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000125508803 1415216889 /nfs/dbraw/zinc/21/68/89/1415216889.db2.gz MFDAYYNXAVRIIK-UHFFFAOYSA-N 2 2 380.508 3.104 20 0 GGADLP COCc1cc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)nc(C(C)(C)C)n1 ZINC000125582400 1415231319 /nfs/dbraw/zinc/23/13/19/1415231319.db2.gz ROSULWCWTCATBO-UHFFFAOYSA-N 2 2 389.588 3.283 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000125673005 1415251398 /nfs/dbraw/zinc/25/13/98/1415251398.db2.gz FTHAOPYGOMINME-REWPJTCUSA-N 2 2 398.595 3.256 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000177939741 1428895992 /nfs/dbraw/zinc/89/59/92/1428895992.db2.gz XHOQHSRDCQMIOT-UHFFFAOYSA-N 2 2 377.492 3.046 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000177944746 1428897240 /nfs/dbraw/zinc/89/72/40/1428897240.db2.gz MOVOIEXHDVWUND-QGZVFWFLSA-N 2 2 383.521 3.107 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000177944746 1428897242 /nfs/dbraw/zinc/89/72/42/1428897242.db2.gz MOVOIEXHDVWUND-QGZVFWFLSA-N 2 2 383.521 3.107 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000177944548 1428897261 /nfs/dbraw/zinc/89/72/61/1428897261.db2.gz KFSYJAQCQVCUCV-UHFFFAOYSA-N 2 2 383.521 3.107 20 0 GGADLP CC[NH+](CC)CCOc1ccc(CNC(=O)NCc2ccn3cc[nH+]c3c2)cc1 ZINC000177930621 1428893971 /nfs/dbraw/zinc/89/39/71/1428893971.db2.gz KLJRYXIMQGJELV-UHFFFAOYSA-N 2 2 395.507 3.054 20 0 GGADLP CCCN(CC)c1ccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000126180334 1415378333 /nfs/dbraw/zinc/37/83/33/1415378333.db2.gz XKTXWDOZXSDHCE-UHFFFAOYSA-N 2 2 386.584 3.211 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000177968667 1428907285 /nfs/dbraw/zinc/90/72/85/1428907285.db2.gz MFPNYYWRGMONLH-GOSISDBHSA-N 2 2 390.572 3.175 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000177968667 1428907296 /nfs/dbraw/zinc/90/72/96/1428907296.db2.gz MFPNYYWRGMONLH-GOSISDBHSA-N 2 2 390.572 3.175 20 0 GGADLP O=C(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)N1CCCc2ccccc21 ZINC000177982947 1428914542 /nfs/dbraw/zinc/91/45/42/1428914542.db2.gz IDPQIMAHEPNXJY-UHFFFAOYSA-N 2 2 395.522 3.402 20 0 GGADLP COc1c(C)c[nH+]c(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1C ZINC000126389720 1415434766 /nfs/dbraw/zinc/43/47/66/1415434766.db2.gz CNFWYUHRIPJCOK-HXUWFJFHSA-N 2 2 382.508 3.343 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000126492797 1415469657 /nfs/dbraw/zinc/46/96/57/1415469657.db2.gz JHANBFXMTJVGIL-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000126492797 1415469660 /nfs/dbraw/zinc/46/96/60/1415469660.db2.gz JHANBFXMTJVGIL-UHFFFAOYSA-N 2 2 376.932 3.453 20 0 GGADLP CC[C@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(F)ccc1F ZINC000126622119 1415509195 /nfs/dbraw/zinc/50/91/95/1415509195.db2.gz CSZHBUOFPGAZHB-FQEVSTJZSA-N 2 2 394.510 3.274 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+][C@@H]3CCN(C(=O)C4CCCC4)C3)CC2)cc1 ZINC000126958860 1415618313 /nfs/dbraw/zinc/61/83/13/1415618313.db2.gz YHAXFVYYDRDBQN-HXUWFJFHSA-N 2 2 384.568 3.102 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000127233814 1415697725 /nfs/dbraw/zinc/69/77/25/1415697725.db2.gz ZZLMUZCNPUWBEJ-GOSISDBHSA-N 3 2 388.575 3.493 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000127289550 1415721466 /nfs/dbraw/zinc/72/14/66/1415721466.db2.gz LLSIBHJFAPJEOQ-GOSISDBHSA-N 3 2 376.564 3.491 20 0 GGADLP Cc1[nH+]ccn1CCC[NH+]1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000127355570 1415750827 /nfs/dbraw/zinc/75/08/27/1415750827.db2.gz ODNGCAZNJXACSG-OAHLLOKOSA-N 2 2 386.525 3.072 20 0 GGADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127481136 1415796509 /nfs/dbraw/zinc/79/65/09/1415796509.db2.gz LCTAGNHSUHWAMU-GBESFXJTSA-N 2 2 388.556 3.292 20 0 GGADLP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000127481136 1415796526 /nfs/dbraw/zinc/79/65/26/1415796526.db2.gz LCTAGNHSUHWAMU-GBESFXJTSA-N 2 2 388.556 3.292 20 0 GGADLP CC[NH+](CC)CCOc1ccccc1NC(=O)NCc1ccn2cc[nH+]c2c1 ZINC000178167601 1429004990 /nfs/dbraw/zinc/00/49/90/1429004990.db2.gz XRGRRQBKXHFOBI-UHFFFAOYSA-N 2 2 381.480 3.377 20 0 GGADLP Fc1cccc([C@@H](C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)N2CCOCC2)c1 ZINC000127790949 1415851209 /nfs/dbraw/zinc/85/12/09/1415851209.db2.gz ZYTCKJLGBYXIGS-JOCHJYFZSA-N 2 2 380.467 3.175 20 0 GGADLP COc1ccc(C[NH2+]CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OCc1cccnc1 ZINC000127937238 1415878092 /nfs/dbraw/zinc/87/80/92/1415878092.db2.gz DZQWAASAUGKLPT-KDURUIRLSA-N 2 2 399.535 3.258 20 0 GGADLP COc1ccc(C[NH2+]CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OCc1cccnc1 ZINC000127937238 1415878095 /nfs/dbraw/zinc/87/80/95/1415878095.db2.gz DZQWAASAUGKLPT-KDURUIRLSA-N 2 2 399.535 3.258 20 0 GGADLP COc1ccc(C[NH2+]CCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1OCc1cccnc1 ZINC000127937439 1415878804 /nfs/dbraw/zinc/87/88/04/1415878804.db2.gz DZQWAASAUGKLPT-OALUTQOASA-N 2 2 399.535 3.258 20 0 GGADLP O=C(NCc1ccn2cc[nH+]c2c1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000178193540 1429014955 /nfs/dbraw/zinc/01/49/55/1429014955.db2.gz KDBSUJHEBZRHAZ-UHFFFAOYSA-N 2 2 395.532 3.247 20 0 GGADLP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000128009232 1415892826 /nfs/dbraw/zinc/89/28/26/1415892826.db2.gz WDFDULZXIINNPP-IBGZPJMESA-N 2 2 398.507 3.487 20 0 GGADLP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000178200007 1429016744 /nfs/dbraw/zinc/01/67/44/1429016744.db2.gz IWEYCVDVKACSAD-JKSUJKDBSA-N 2 2 384.505 3.192 20 0 GGADLP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000178199993 1429016872 /nfs/dbraw/zinc/01/68/72/1429016872.db2.gz IWEYCVDVKACSAD-CVEARBPZSA-N 2 2 384.505 3.192 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1OC(F)F ZINC000128146485 1415924754 /nfs/dbraw/zinc/92/47/54/1415924754.db2.gz ZYKUVKHCCBOIPX-STQMWFEESA-N 2 2 389.874 3.179 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)ccc1OC(F)F ZINC000128146485 1415924761 /nfs/dbraw/zinc/92/47/61/1415924761.db2.gz ZYKUVKHCCBOIPX-STQMWFEESA-N 2 2 389.874 3.179 20 0 GGADLP Cc1ccc([C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[NH+]2CCCC2)cc1 ZINC000128151123 1415926109 /nfs/dbraw/zinc/92/61/09/1415926109.db2.gz WAXJQIMQKMDGMD-SFTDATJTSA-N 2 2 393.535 3.105 20 0 GGADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(-c4ccc(F)cc4)n3)cn2)CC1 ZINC000128405625 1415980019 /nfs/dbraw/zinc/98/00/19/1415980019.db2.gz MIJYTNWUQMHMDI-UHFFFAOYSA-N 2 2 397.523 3.386 20 0 GGADLP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)C[C@H](C)O1 ZINC000178259865 1429035972 /nfs/dbraw/zinc/03/59/72/1429035972.db2.gz SILNVTOMTQOQKH-KDURUIRLSA-N 2 2 396.535 3.224 20 0 GGADLP C[C@@H]1C[N@H+](CCC2CCN(C(=O)c3cccc(-n4cc[nH+]c4)c3)CC2)C[C@H](C)O1 ZINC000178259865 1429035974 /nfs/dbraw/zinc/03/59/74/1429035974.db2.gz SILNVTOMTQOQKH-KDURUIRLSA-N 2 2 396.535 3.224 20 0 GGADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@@H]1c1cccs1 ZINC000128574359 1416017012 /nfs/dbraw/zinc/01/70/12/1416017012.db2.gz PDPDVDQQNVOMRF-MBOZVWFJSA-N 2 2 399.564 3.104 20 0 GGADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)[C@@H]1c1cccs1 ZINC000128574359 1416017020 /nfs/dbraw/zinc/01/70/20/1416017020.db2.gz PDPDVDQQNVOMRF-MBOZVWFJSA-N 2 2 399.564 3.104 20 0 GGADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1Cl ZINC000128688809 1416043795 /nfs/dbraw/zinc/04/37/95/1416043795.db2.gz SVCWVVAGQQVAKQ-HNNXBMFYSA-N 2 2 390.890 3.264 20 0 GGADLP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000178316769 1429050419 /nfs/dbraw/zinc/05/04/19/1429050419.db2.gz SRWIHNJRUCKKIP-YADHBBJMSA-N 2 2 393.535 3.285 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2c(s1)CCCC2 ZINC000128708898 1416048204 /nfs/dbraw/zinc/04/82/04/1416048204.db2.gz CSCCNCVNDNACKH-QGZVFWFLSA-N 2 2 398.576 3.411 20 0 GGADLP C[C@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cc2c(s1)CCCC2 ZINC000128708660 1416048287 /nfs/dbraw/zinc/04/82/87/1416048287.db2.gz CSCCNCVNDNACKH-KRWDZBQOSA-N 2 2 398.576 3.411 20 0 GGADLP CC[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccc(F)cc1F ZINC000128735420 1416054947 /nfs/dbraw/zinc/05/49/47/1416054947.db2.gz WCYHFGUKQAIANA-LJQANCHMSA-N 2 2 388.462 3.139 20 0 GGADLP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000128765983 1416063131 /nfs/dbraw/zinc/06/31/31/1416063131.db2.gz NXXDGZMWZFIOMO-LJQANCHMSA-N 2 2 396.535 3.258 20 0 GGADLP COCc1ccc(C[NH2+]Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)o1 ZINC000128770176 1416063999 /nfs/dbraw/zinc/06/39/99/1416063999.db2.gz DCSJIGGLGZSDDY-UHFFFAOYSA-N 2 2 397.441 3.486 20 0 GGADLP Cc1cc([C@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc(C)c1F ZINC000128821309 1416077643 /nfs/dbraw/zinc/07/76/43/1416077643.db2.gz JYJYLIYCHGVZGR-SFHVURJKSA-N 2 2 384.499 3.227 20 0 GGADLP Cc1ccc(C[C@@H]([NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C2CC2)cc1 ZINC000128828994 1416079312 /nfs/dbraw/zinc/07/93/12/1416079312.db2.gz YHMDGVQTIISHMS-JOCHJYFZSA-N 2 2 392.547 3.040 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129553235 1416226779 /nfs/dbraw/zinc/22/67/79/1416226779.db2.gz PSXVOIXMABAQLL-DYESRHJHSA-N 2 2 381.524 3.313 20 0 GGADLP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000129553235 1416226783 /nfs/dbraw/zinc/22/67/83/1416226783.db2.gz PSXVOIXMABAQLL-DYESRHJHSA-N 2 2 381.524 3.313 20 0 GGADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2OC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129555298 1416227178 /nfs/dbraw/zinc/22/71/78/1416227178.db2.gz MICMGELVAYHBNV-NQIIRXRSSA-N 2 2 396.535 3.404 20 0 GGADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2OC2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000129555298 1416227181 /nfs/dbraw/zinc/22/71/81/1416227181.db2.gz MICMGELVAYHBNV-NQIIRXRSSA-N 2 2 396.535 3.404 20 0 GGADLP C[C@@H]1C[C@H]1c1ccc(C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)o1 ZINC000129850749 1416274083 /nfs/dbraw/zinc/27/40/83/1416274083.db2.gz YPDSDAKABCIBSB-OXQOHEQNSA-N 2 2 381.524 3.109 20 0 GGADLP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)o1 ZINC000129850749 1416274087 /nfs/dbraw/zinc/27/40/87/1416274087.db2.gz YPDSDAKABCIBSB-OXQOHEQNSA-N 2 2 381.524 3.109 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000130341108 1416361217 /nfs/dbraw/zinc/36/12/17/1416361217.db2.gz PJYHOKLJYVNXNB-UHFFFAOYSA-N 2 2 387.484 3.415 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000130363429 1416365097 /nfs/dbraw/zinc/36/50/97/1416365097.db2.gz XEHSRQZKMWKQNP-UHFFFAOYSA-N 2 2 384.480 3.275 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000130363429 1416365101 /nfs/dbraw/zinc/36/51/01/1416365101.db2.gz XEHSRQZKMWKQNP-UHFFFAOYSA-N 2 2 384.480 3.275 20 0 GGADLP CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000130365183 1416365492 /nfs/dbraw/zinc/36/54/92/1416365492.db2.gz FZABUXDMMYKLBC-MSOLQXFVSA-N 2 2 389.590 3.423 20 0 GGADLP CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000130365183 1416365493 /nfs/dbraw/zinc/36/54/93/1416365493.db2.gz FZABUXDMMYKLBC-MSOLQXFVSA-N 2 2 389.590 3.423 20 0 GGADLP CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000130365412 1416365534 /nfs/dbraw/zinc/36/55/34/1416365534.db2.gz FZABUXDMMYKLBC-QZTJIDSGSA-N 2 2 389.590 3.423 20 0 GGADLP CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000130365412 1416365535 /nfs/dbraw/zinc/36/55/35/1416365535.db2.gz FZABUXDMMYKLBC-QZTJIDSGSA-N 2 2 389.590 3.423 20 0 GGADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000130499501 1416388813 /nfs/dbraw/zinc/38/88/13/1416388813.db2.gz WVEURYIEUDFGLU-GOSISDBHSA-N 3 2 390.535 3.178 20 0 GGADLP C[C@H](CSc1ccc(F)cc1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000130551010 1416397476 /nfs/dbraw/zinc/39/74/76/1416397476.db2.gz CIVQKLHADUAFKU-MRXNPFEDSA-N 2 2 393.572 3.229 20 0 GGADLP Cc1ccc(NC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c(OCC[NH+](C)C)c1 ZINC000130689665 1416425472 /nfs/dbraw/zinc/42/54/72/1416425472.db2.gz OIXBUUIHHFSJAQ-SFHVURJKSA-N 2 2 384.480 3.016 20 0 GGADLP Cc1ccc(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c(OCC[NH+](C)C)c1 ZINC000130689885 1416425782 /nfs/dbraw/zinc/42/57/82/1416425782.db2.gz OIXBUUIHHFSJAQ-GOSISDBHSA-N 2 2 384.480 3.016 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000130826404 1416461289 /nfs/dbraw/zinc/46/12/89/1416461289.db2.gz QTXJFUIDGACMLQ-UHFFFAOYSA-N 2 2 383.521 3.100 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1csc(CNC(=O)c2ccccc2)n1 ZINC000130826404 1416461296 /nfs/dbraw/zinc/46/12/96/1416461296.db2.gz QTXJFUIDGACMLQ-UHFFFAOYSA-N 2 2 383.521 3.100 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000130925564 1416482536 /nfs/dbraw/zinc/48/25/36/1416482536.db2.gz HNHJYPUMKWPTMW-UHFFFAOYSA-N 2 2 390.487 3.383 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000130925564 1416482537 /nfs/dbraw/zinc/48/25/37/1416482537.db2.gz HNHJYPUMKWPTMW-UHFFFAOYSA-N 2 2 390.487 3.383 20 0 GGADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130926442 1416482555 /nfs/dbraw/zinc/48/25/55/1416482555.db2.gz CLFWPSIQBVWCTG-UHFFFAOYSA-N 2 2 392.525 3.007 20 0 GGADLP CCOC(=O)c1c(C)c(C)sc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130926442 1416482557 /nfs/dbraw/zinc/48/25/57/1416482557.db2.gz CLFWPSIQBVWCTG-UHFFFAOYSA-N 2 2 392.525 3.007 20 0 GGADLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000131081848 1416506310 /nfs/dbraw/zinc/50/63/10/1416506310.db2.gz MOSMMQNLEIKVCE-QGZVFWFLSA-N 2 2 376.508 3.192 20 0 GGADLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000131101132 1416509037 /nfs/dbraw/zinc/50/90/37/1416509037.db2.gz SHGNSXBUVOTJTD-IBGZPJMESA-N 2 2 380.536 3.233 20 0 GGADLP CC(C)COC(=O)N1CCC([NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000131128093 1416513395 /nfs/dbraw/zinc/51/33/95/1416513395.db2.gz KEVLEWNLXABTPL-SFHVURJKSA-N 2 2 388.556 3.454 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCn4c[nH+]cc4C3)cc2)C1 ZINC000131134059 1416514142 /nfs/dbraw/zinc/51/41/42/1416514142.db2.gz MYNSEWTYHKTXOL-DBXWQHBBSA-N 2 2 380.536 3.240 20 0 GGADLP Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n2)c1 ZINC000131227544 1416526722 /nfs/dbraw/zinc/52/67/22/1416526722.db2.gz ASVRGYCDJQQVTR-SFHVURJKSA-N 2 2 395.507 3.454 20 0 GGADLP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n2)c1 ZINC000131227544 1416526726 /nfs/dbraw/zinc/52/67/26/1416526726.db2.gz ASVRGYCDJQQVTR-SFHVURJKSA-N 2 2 395.507 3.454 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131249057 1416529543 /nfs/dbraw/zinc/52/95/43/1416529543.db2.gz SJPKRXJKVBTVBD-UONOGXRCSA-N 2 2 378.879 3.494 20 0 GGADLP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131249057 1416529547 /nfs/dbraw/zinc/52/95/47/1416529547.db2.gz SJPKRXJKVBTVBD-UONOGXRCSA-N 2 2 378.879 3.494 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000131266115 1416532116 /nfs/dbraw/zinc/53/21/16/1416532116.db2.gz KGNKOXWAGAOLTI-WBVHZDCISA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000131266115 1416532121 /nfs/dbraw/zinc/53/21/21/1416532121.db2.gz KGNKOXWAGAOLTI-WBVHZDCISA-N 2 2 397.441 3.133 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000131285607 1416535121 /nfs/dbraw/zinc/53/51/21/1416535121.db2.gz NHZUUMGGOMGJNZ-ZDUSSCGKSA-N 2 2 392.297 3.366 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000131285607 1416535123 /nfs/dbraw/zinc/53/51/23/1416535123.db2.gz NHZUUMGGOMGJNZ-ZDUSSCGKSA-N 2 2 392.297 3.366 20 0 GGADLP COc1cc(-c2noc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)ccc1C ZINC000131298630 1416536499 /nfs/dbraw/zinc/53/64/99/1416536499.db2.gz HKABKURHZXRLSF-MRXNPFEDSA-N 2 2 381.480 3.242 20 0 GGADLP COc1cc(-c2noc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)n2)ccc1C ZINC000131298630 1416536504 /nfs/dbraw/zinc/53/65/04/1416536504.db2.gz HKABKURHZXRLSF-MRXNPFEDSA-N 2 2 381.480 3.242 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000131297923 1416536561 /nfs/dbraw/zinc/53/65/61/1416536561.db2.gz FBWFJBCPNROJII-LEWJYISDSA-N 2 2 381.524 3.284 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000131298502 1416536574 /nfs/dbraw/zinc/53/65/74/1416536574.db2.gz FBWFJBCPNROJII-RTWAWAEBSA-N 2 2 381.524 3.284 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000131298105 1416536645 /nfs/dbraw/zinc/53/66/45/1416536645.db2.gz FBWFJBCPNROJII-SFTDATJTSA-N 2 2 381.524 3.284 20 0 GGADLP C/C=C/c1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(OC)c1 ZINC000131318746 1416539402 /nfs/dbraw/zinc/53/94/02/1416539402.db2.gz AMAQSEZPWWXWGI-UIMSKZMLSA-N 2 2 399.535 3.156 20 0 GGADLP C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(OC)c1 ZINC000131318746 1416539404 /nfs/dbraw/zinc/53/94/04/1416539404.db2.gz AMAQSEZPWWXWGI-UIMSKZMLSA-N 2 2 399.535 3.156 20 0 GGADLP C[C@H](OC[C@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000131322755 1416539838 /nfs/dbraw/zinc/53/98/38/1416539838.db2.gz DMNMBEXYIZJMAL-SQGPQFPESA-N 2 2 391.943 3.467 20 0 GGADLP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000131322755 1416539841 /nfs/dbraw/zinc/53/98/41/1416539841.db2.gz DMNMBEXYIZJMAL-SQGPQFPESA-N 2 2 391.943 3.467 20 0 GGADLP C[C@H](OC[C@@H](O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000131323183 1416539993 /nfs/dbraw/zinc/53/99/93/1416539993.db2.gz DMNMBEXYIZJMAL-QKLQHJQFSA-N 2 2 391.943 3.467 20 0 GGADLP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(Cl)cc1 ZINC000131323183 1416539997 /nfs/dbraw/zinc/53/99/97/1416539997.db2.gz DMNMBEXYIZJMAL-QKLQHJQFSA-N 2 2 391.943 3.467 20 0 GGADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000131355820 1416544629 /nfs/dbraw/zinc/54/46/29/1416544629.db2.gz PGXBHHIPQROWAV-JOCHJYFZSA-N 2 2 381.520 3.023 20 0 GGADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000131355820 1416544631 /nfs/dbraw/zinc/54/46/31/1416544631.db2.gz PGXBHHIPQROWAV-JOCHJYFZSA-N 2 2 381.520 3.023 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000131362754 1416545517 /nfs/dbraw/zinc/54/55/17/1416545517.db2.gz VPGUDOAEECFVHZ-OAHLLOKOSA-N 2 2 395.288 3.479 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000131362754 1416545520 /nfs/dbraw/zinc/54/55/20/1416545520.db2.gz VPGUDOAEECFVHZ-OAHLLOKOSA-N 2 2 395.288 3.479 20 0 GGADLP Cc1cc(=O)oc2cc(OCC[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)ccc12 ZINC000131362043 1416545576 /nfs/dbraw/zinc/54/55/76/1416545576.db2.gz KFWKGBIYNJQHHR-QGZVFWFLSA-N 2 2 381.476 3.168 20 0 GGADLP Cc1cc(=O)oc2cc(OCC[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)ccc12 ZINC000131362043 1416545580 /nfs/dbraw/zinc/54/55/80/1416545580.db2.gz KFWKGBIYNJQHHR-QGZVFWFLSA-N 2 2 381.476 3.168 20 0 GGADLP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1OC ZINC000178556886 1429106298 /nfs/dbraw/zinc/10/62/98/1429106298.db2.gz FEZQFVMHICNBGW-PXNSSMCTSA-N 2 2 399.535 3.150 20 0 GGADLP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c(OC)c1OC ZINC000178556886 1429106306 /nfs/dbraw/zinc/10/63/06/1429106306.db2.gz FEZQFVMHICNBGW-PXNSSMCTSA-N 2 2 399.535 3.150 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131378922 1416547939 /nfs/dbraw/zinc/54/79/39/1416547939.db2.gz FYAAKHJJBQCTQA-QUCCMNQESA-N 2 2 398.551 3.341 20 0 GGADLP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131378922 1416547944 /nfs/dbraw/zinc/54/79/44/1416547944.db2.gz FYAAKHJJBQCTQA-QUCCMNQESA-N 2 2 398.551 3.341 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131405558 1416552707 /nfs/dbraw/zinc/55/27/07/1416552707.db2.gz QVRISCXHVMHFRQ-OAHLLOKOSA-N 2 2 392.906 3.126 20 0 GGADLP CN(Cc1c(F)cccc1Cl)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131405558 1416552711 /nfs/dbraw/zinc/55/27/11/1416552711.db2.gz QVRISCXHVMHFRQ-OAHLLOKOSA-N 2 2 392.906 3.126 20 0 GGADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccccc1 ZINC000131519138 1416570372 /nfs/dbraw/zinc/57/03/72/1416570372.db2.gz HIZWCRAQLHBVMJ-HSZRJFAPSA-N 2 2 378.520 3.001 20 0 GGADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000131964695 1416661508 /nfs/dbraw/zinc/66/15/08/1416661508.db2.gz IUKJNQYRGLZMKP-NRFANRHFSA-N 2 2 383.540 3.241 20 0 GGADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000131964695 1416661514 /nfs/dbraw/zinc/66/15/14/1416661514.db2.gz IUKJNQYRGLZMKP-NRFANRHFSA-N 2 2 383.540 3.241 20 0 GGADLP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000132005039 1416671589 /nfs/dbraw/zinc/67/15/89/1416671589.db2.gz SOVDZVCQSZVVMS-NRFANRHFSA-N 2 2 383.540 3.241 20 0 GGADLP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000132005039 1416671592 /nfs/dbraw/zinc/67/15/92/1416671592.db2.gz SOVDZVCQSZVVMS-NRFANRHFSA-N 2 2 383.540 3.241 20 0 GGADLP O=C(NC1CC[NH+](C2CC2)CC1)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1 ZINC000132131136 1416703860 /nfs/dbraw/zinc/70/38/60/1416703860.db2.gz MRQMZOFBMPNJJP-RTWAWAEBSA-N 2 2 379.508 3.038 20 0 GGADLP C[C@@H](NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(F)cc1Cl ZINC000132137083 1416705791 /nfs/dbraw/zinc/70/57/91/1416705791.db2.gz AZFKVNQXALSIJY-CQSZACIVSA-N 2 2 396.938 3.398 20 0 GGADLP C[C@@H]([C@H](C)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000178621683 1429123479 /nfs/dbraw/zinc/12/34/79/1429123479.db2.gz KQQYSCQKIQBTHH-ROUUACIJSA-N 2 2 378.605 3.449 20 0 GGADLP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1)c1ccccc1 ZINC000132485755 1416771125 /nfs/dbraw/zinc/77/11/25/1416771125.db2.gz PRWUUDHQIOZTAU-PKOBYXMFSA-N 2 2 381.524 3.089 20 0 GGADLP CC[N@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)SC(C)(C)C1=O ZINC000132729452 1416809155 /nfs/dbraw/zinc/80/91/55/1416809155.db2.gz BDNWMIZJJVLFJO-UHFFFAOYSA-N 2 2 376.526 3.051 20 0 GGADLP CC[N@@H+](CC1CCN(c2cccc[nH+]2)CC1)CN1C(=O)SC(C)(C)C1=O ZINC000132729452 1416809157 /nfs/dbraw/zinc/80/91/57/1416809157.db2.gz BDNWMIZJJVLFJO-UHFFFAOYSA-N 2 2 376.526 3.051 20 0 GGADLP Cc1c(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cnn1-c1cc[nH+]cc1 ZINC000132784491 1416814771 /nfs/dbraw/zinc/81/47/71/1416814771.db2.gz RYYMVEAPRAOOCB-INIZCTEOSA-N 2 2 391.475 3.221 20 0 GGADLP Cc1c(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cnn1-c1cc[nH+]cc1 ZINC000132784294 1416814828 /nfs/dbraw/zinc/81/48/28/1416814828.db2.gz RYYMVEAPRAOOCB-MRXNPFEDSA-N 2 2 391.475 3.221 20 0 GGADLP CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000178662888 1429132098 /nfs/dbraw/zinc/13/20/98/1429132098.db2.gz KRTXTQLASOXYMI-UHFFFAOYSA-N 2 2 381.586 3.116 20 0 GGADLP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000133015134 1416842265 /nfs/dbraw/zinc/84/22/65/1416842265.db2.gz HOAGKTSCHACFSR-MOPGFXCFSA-N 2 2 387.568 3.222 20 0 GGADLP COC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(C(F)(F)F)c1 ZINC000133018698 1416842564 /nfs/dbraw/zinc/84/25/64/1416842564.db2.gz UYAAJQMSSXYNMB-KXBFYZLASA-N 2 2 386.458 3.483 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000133152511 1416857908 /nfs/dbraw/zinc/85/79/08/1416857908.db2.gz KHZQTXPBXTZMEA-GOSISDBHSA-N 2 2 393.959 3.172 20 0 GGADLP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000133152511 1416857909 /nfs/dbraw/zinc/85/79/09/1416857909.db2.gz KHZQTXPBXTZMEA-GOSISDBHSA-N 2 2 393.959 3.172 20 0 GGADLP O=C1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CN1c1c(F)cccc1F ZINC000133339996 1416880582 /nfs/dbraw/zinc/88/05/82/1416880582.db2.gz ZAFXCBSGXCLMEU-LJQANCHMSA-N 2 2 399.485 3.367 20 0 GGADLP C[C@H]([NH2+][C@@H]1CCC[C@@H]1c1ccccc1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000133452945 1416891366 /nfs/dbraw/zinc/89/13/66/1416891366.db2.gz USMJDTUPWIUVIH-CEWLAPEOSA-N 2 2 378.520 3.045 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c(OCC[NH+](C)C)c1 ZINC000133576944 1416909247 /nfs/dbraw/zinc/90/92/47/1416909247.db2.gz VGHZTRCHFCMOAV-SFHVURJKSA-N 2 2 381.520 3.321 20 0 GGADLP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c(OCC[NH+](C)C)c1 ZINC000133576944 1416909254 /nfs/dbraw/zinc/90/92/54/1416909254.db2.gz VGHZTRCHFCMOAV-SFHVURJKSA-N 2 2 381.520 3.321 20 0 GGADLP Cc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(OCC[NH+](C)C)c1 ZINC000133585640 1416911530 /nfs/dbraw/zinc/91/15/30/1416911530.db2.gz VAPABEQDYBRSEX-UHFFFAOYSA-N 2 2 378.476 3.433 20 0 GGADLP O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000133631022 1416925604 /nfs/dbraw/zinc/92/56/04/1416925604.db2.gz XVXUYQYSKRKBBK-DHIUTWEWSA-N 2 2 393.531 3.383 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCSc4ccc(Cl)cc43)cn2)CC1 ZINC000133687813 1416941013 /nfs/dbraw/zinc/94/10/13/1416941013.db2.gz XDXOXUYDJHOISY-KRWDZBQOSA-N 2 2 389.956 3.209 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccccc3Oc3ccccc3)cn2)CC1 ZINC000134255822 1417044958 /nfs/dbraw/zinc/04/49/58/1417044958.db2.gz JZIQOBUIZMTVDL-UHFFFAOYSA-N 2 2 389.503 3.311 20 0 GGADLP CN(C(=O)Nc1cccc(F)n1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000134314016 1417054717 /nfs/dbraw/zinc/05/47/17/1417054717.db2.gz OVZOMOJSUZCMDI-IRXDYDNUSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1cccc(F)n1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000134314016 1417054719 /nfs/dbraw/zinc/05/47/19/1417054719.db2.gz OVZOMOJSUZCMDI-IRXDYDNUSA-N 2 2 377.508 3.022 20 0 GGADLP CCC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(F)cc1F ZINC000134411439 1417066587 /nfs/dbraw/zinc/06/65/87/1417066587.db2.gz PRLZUYNKIYJXBU-LJQANCHMSA-N 2 2 375.467 3.138 20 0 GGADLP Cc1c(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cnn1-c1cc[nH+]cc1 ZINC000134704701 1417115085 /nfs/dbraw/zinc/11/50/85/1417115085.db2.gz QHOFCUGYDNZQQB-LJQANCHMSA-N 2 2 379.464 3.126 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864782 1417135740 /nfs/dbraw/zinc/13/57/40/1417135740.db2.gz WSGVBSOLQGCZDG-LYHRCORUSA-N 2 2 394.563 3.164 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134864782 1417135748 /nfs/dbraw/zinc/13/57/48/1417135748.db2.gz WSGVBSOLQGCZDG-LYHRCORUSA-N 2 2 394.563 3.164 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134864782 1417135753 /nfs/dbraw/zinc/13/57/53/1417135753.db2.gz WSGVBSOLQGCZDG-LYHRCORUSA-N 2 2 394.563 3.164 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134864782 1417135756 /nfs/dbraw/zinc/13/57/56/1417135756.db2.gz WSGVBSOLQGCZDG-LYHRCORUSA-N 2 2 394.563 3.164 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134880531 1417138942 /nfs/dbraw/zinc/13/89/42/1417138942.db2.gz ZLZZMTUOCKOXHR-GGAORHGYSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134880531 1417138945 /nfs/dbraw/zinc/13/89/45/1417138945.db2.gz ZLZZMTUOCKOXHR-GGAORHGYSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134880531 1417138949 /nfs/dbraw/zinc/13/89/49/1417138949.db2.gz ZLZZMTUOCKOXHR-GGAORHGYSA-N 2 2 399.579 3.177 20 0 GGADLP CC(C)OCc1ccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134880531 1417138952 /nfs/dbraw/zinc/13/89/52/1417138952.db2.gz ZLZZMTUOCKOXHR-GGAORHGYSA-N 2 2 399.579 3.177 20 0 GGADLP Cc1cc(C)c(CCNC(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134904443 1417142545 /nfs/dbraw/zinc/14/25/45/1417142545.db2.gz GIJYTBQRVWGDMQ-NFBKMPQASA-N 2 2 383.580 3.219 20 0 GGADLP Cc1cc(C)c(CCNC(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000134904443 1417142552 /nfs/dbraw/zinc/14/25/52/1417142552.db2.gz GIJYTBQRVWGDMQ-NFBKMPQASA-N 2 2 383.580 3.219 20 0 GGADLP Cc1cc(C)c(CCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000134904443 1417142555 /nfs/dbraw/zinc/14/25/55/1417142555.db2.gz GIJYTBQRVWGDMQ-NFBKMPQASA-N 2 2 383.580 3.219 20 0 GGADLP Cc1cc(C)c(CCNC(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000134904443 1417142559 /nfs/dbraw/zinc/14/25/59/1417142559.db2.gz GIJYTBQRVWGDMQ-NFBKMPQASA-N 2 2 383.580 3.219 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922365 1417146051 /nfs/dbraw/zinc/14/60/51/1417146051.db2.gz SWCXDYAQNMSNHJ-LXGFNABISA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134922365 1417146058 /nfs/dbraw/zinc/14/60/58/1417146058.db2.gz SWCXDYAQNMSNHJ-LXGFNABISA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134922365 1417146061 /nfs/dbraw/zinc/14/60/61/1417146061.db2.gz SWCXDYAQNMSNHJ-LXGFNABISA-N 2 2 385.552 3.210 20 0 GGADLP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134922365 1417146067 /nfs/dbraw/zinc/14/60/67/1417146067.db2.gz SWCXDYAQNMSNHJ-LXGFNABISA-N 2 2 385.552 3.210 20 0 GGADLP CC(C)Oc1cccc(CNC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134925473 1417146751 /nfs/dbraw/zinc/14/67/51/1417146751.db2.gz FOOSGKRGVYQKOJ-KNQAVFIVSA-N 2 2 385.552 3.039 20 0 GGADLP CC(C)Oc1cccc(CNC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000134925473 1417146761 /nfs/dbraw/zinc/14/67/61/1417146761.db2.gz FOOSGKRGVYQKOJ-KNQAVFIVSA-N 2 2 385.552 3.039 20 0 GGADLP CC(C)Oc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000134925473 1417146766 /nfs/dbraw/zinc/14/67/66/1417146766.db2.gz FOOSGKRGVYQKOJ-KNQAVFIVSA-N 2 2 385.552 3.039 20 0 GGADLP CC(C)Oc1cccc(CNC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000134925473 1417146773 /nfs/dbraw/zinc/14/67/73/1417146773.db2.gz FOOSGKRGVYQKOJ-KNQAVFIVSA-N 2 2 385.552 3.039 20 0 GGADLP COC(=O)c1ccc(OCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000134936738 1417148193 /nfs/dbraw/zinc/14/81/93/1417148193.db2.gz JQIKIUYUNMEXRJ-VQIMIIECSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000134936738 1417148197 /nfs/dbraw/zinc/14/81/97/1417148197.db2.gz JQIKIUYUNMEXRJ-VQIMIIECSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000134936738 1417148202 /nfs/dbraw/zinc/14/82/02/1417148202.db2.gz JQIKIUYUNMEXRJ-VQIMIIECSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000134936738 1417148208 /nfs/dbraw/zinc/14/82/08/1417148208.db2.gz JQIKIUYUNMEXRJ-VQIMIIECSA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000134936765 1417148335 /nfs/dbraw/zinc/14/83/35/1417148335.db2.gz JQIKIUYUNMEXRJ-APWZRJJASA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(Cl)c1 ZINC000134936765 1417148337 /nfs/dbraw/zinc/14/83/37/1417148337.db2.gz JQIKIUYUNMEXRJ-APWZRJJASA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(Cl)c1 ZINC000134936765 1417148339 /nfs/dbraw/zinc/14/83/39/1417148339.db2.gz JQIKIUYUNMEXRJ-APWZRJJASA-N 2 2 392.927 3.454 20 0 GGADLP COC(=O)c1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(Cl)c1 ZINC000134936765 1417148340 /nfs/dbraw/zinc/14/83/40/1417148340.db2.gz JQIKIUYUNMEXRJ-APWZRJJASA-N 2 2 392.927 3.454 20 0 GGADLP Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134945737 1417149494 /nfs/dbraw/zinc/14/94/94/1417149494.db2.gz CSEVMELWRZTZSF-NFBKMPQASA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000134945737 1417149503 /nfs/dbraw/zinc/14/95/03/1417149503.db2.gz CSEVMELWRZTZSF-NFBKMPQASA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134945737 1417149508 /nfs/dbraw/zinc/14/95/08/1417149508.db2.gz CSEVMELWRZTZSF-NFBKMPQASA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000134945737 1417149515 /nfs/dbraw/zinc/14/95/15/1417149515.db2.gz CSEVMELWRZTZSF-NFBKMPQASA-N 2 2 381.564 3.435 20 0 GGADLP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)cc1 ZINC000135942544 1417280401 /nfs/dbraw/zinc/28/04/01/1417280401.db2.gz HGWMASZJYCJQFI-HXUWFJFHSA-N 2 2 388.515 3.491 20 0 GGADLP Cc1ccc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)N2CCOCC2)o1 ZINC000135949246 1417280844 /nfs/dbraw/zinc/28/08/44/1417280844.db2.gz ZTQYTRRNBNTMIW-QFIPXVFZSA-N 2 2 383.536 3.216 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000136376465 1417312406 /nfs/dbraw/zinc/31/24/06/1417312406.db2.gz AGAFJLLDGBCFFB-UHFFFAOYSA-N 2 2 387.421 3.133 20 0 GGADLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000136577607 1417328506 /nfs/dbraw/zinc/32/85/06/1417328506.db2.gz RWSRXGULORVUHY-ZWKOTPCHSA-N 2 2 397.357 3.315 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)CC(C)C ZINC000136698301 1417339761 /nfs/dbraw/zinc/33/97/61/1417339761.db2.gz XLRTUMNHOJOXHY-MOPGFXCFSA-N 2 2 377.577 3.141 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000136781374 1417345961 /nfs/dbraw/zinc/34/59/61/1417345961.db2.gz SFISRUSYYIAHBQ-NRFANRHFSA-N 2 2 397.567 3.426 20 0 GGADLP CC(C)[C@@H](CNC(=O)N1CCC[C@H](Cc2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000136810711 1417347122 /nfs/dbraw/zinc/34/71/22/1417347122.db2.gz JOVJGLBZLRENNT-WOJBJXKFSA-N 2 2 389.588 3.141 20 0 GGADLP CC(C)[C@@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)[NH+]1CCC(C)CC1 ZINC000136810811 1417347499 /nfs/dbraw/zinc/34/74/99/1417347499.db2.gz JOVJGLBZLRENNT-VQTJNVASSA-N 2 2 389.588 3.141 20 0 GGADLP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CCCn2cc[nH+]c2)CC1 ZINC000137111290 1417368586 /nfs/dbraw/zinc/36/85/86/1417368586.db2.gz XAJJRJRNCRVHOX-UHFFFAOYSA-N 2 2 383.540 3.347 20 0 GGADLP CC(C)n1nccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178813830 1429178739 /nfs/dbraw/zinc/17/87/39/1429178739.db2.gz QGOWXFKYJYVZDO-OALUTQOASA-N 2 2 390.576 3.265 20 0 GGADLP CC(C)n1nccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178813830 1429178743 /nfs/dbraw/zinc/17/87/43/1429178743.db2.gz QGOWXFKYJYVZDO-OALUTQOASA-N 2 2 390.576 3.265 20 0 GGADLP CN(C(=O)NCCc1cccs1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178814044 1429179155 /nfs/dbraw/zinc/17/91/55/1429179155.db2.gz YKHKBZKFUQCMQY-PMACEKPBSA-N 2 2 392.613 3.269 20 0 GGADLP CN(C(=O)NCCc1cccs1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178814044 1429179166 /nfs/dbraw/zinc/17/91/66/1429179166.db2.gz YKHKBZKFUQCMQY-PMACEKPBSA-N 2 2 392.613 3.269 20 0 GGADLP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000137446459 1417385852 /nfs/dbraw/zinc/38/58/52/1417385852.db2.gz FFIAIHHDAYSJQE-KRWDZBQOSA-N 2 2 378.476 3.309 20 0 GGADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccccc1-n1cc[nH+]c1 ZINC000137446526 1417386011 /nfs/dbraw/zinc/38/60/11/1417386011.db2.gz FFIAIHHDAYSJQE-QGZVFWFLSA-N 2 2 378.476 3.309 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)C[N@@H+]1Cc1ccccc1 ZINC000137506834 1417388556 /nfs/dbraw/zinc/38/85/56/1417388556.db2.gz POQSLUCHLUKTMH-PTUXOGIPSA-N 2 2 392.547 3.215 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2Cc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000137506834 1417388564 /nfs/dbraw/zinc/38/85/64/1417388564.db2.gz POQSLUCHLUKTMH-PTUXOGIPSA-N 2 2 392.547 3.215 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)C[NH+]1Cc1ccccc1 ZINC000137506834 1417388569 /nfs/dbraw/zinc/38/85/69/1417388569.db2.gz POQSLUCHLUKTMH-PTUXOGIPSA-N 2 2 392.547 3.215 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)C[NH+]1Cc1ccccc1 ZINC000137506834 1417388573 /nfs/dbraw/zinc/38/85/73/1417388573.db2.gz POQSLUCHLUKTMH-PTUXOGIPSA-N 2 2 392.547 3.215 20 0 GGADLP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000137730185 1417393642 /nfs/dbraw/zinc/39/36/42/1417393642.db2.gz ZSXARGQWHUHZLE-GOSISDBHSA-N 2 2 396.535 3.197 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccco1 ZINC000137858066 1417397272 /nfs/dbraw/zinc/39/72/72/1417397272.db2.gz OAIIMEPORSPDPG-ZWKOTPCHSA-N 2 2 387.528 3.060 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccco1 ZINC000137857998 1417397621 /nfs/dbraw/zinc/39/76/21/1417397621.db2.gz OAIIMEPORSPDPG-ROUUACIJSA-N 2 2 387.528 3.060 20 0 GGADLP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000138017417 1417402170 /nfs/dbraw/zinc/40/21/70/1417402170.db2.gz WULPCTWUAQYJHN-HXUWFJFHSA-N 2 2 383.540 3.036 20 0 GGADLP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000138017417 1417402174 /nfs/dbraw/zinc/40/21/74/1417402174.db2.gz WULPCTWUAQYJHN-HXUWFJFHSA-N 2 2 383.540 3.036 20 0 GGADLP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]Cc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000138218195 1417407416 /nfs/dbraw/zinc/40/74/16/1417407416.db2.gz OFJJOJXOXTYWMD-INIZCTEOSA-N 2 2 396.466 3.448 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000144888670 1417676033 /nfs/dbraw/zinc/67/60/33/1417676033.db2.gz MBHAIADTWVLQBP-SELNLUPBSA-N 2 2 395.547 3.215 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc2)C[C@H](C)O1 ZINC000144888670 1417676041 /nfs/dbraw/zinc/67/60/41/1417676041.db2.gz MBHAIADTWVLQBP-SELNLUPBSA-N 2 2 395.547 3.215 20 0 GGADLP CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000145090865 1417680820 /nfs/dbraw/zinc/68/08/20/1417680820.db2.gz LCFHCVAOEBJHAA-FQEVSTJZSA-N 2 2 399.608 3.427 20 0 GGADLP O=C(NCCCNc1cccc[nH+]1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145385419 1417687164 /nfs/dbraw/zinc/68/71/64/1417687164.db2.gz ONPVDETUABCTSH-UHFFFAOYSA-N 2 2 387.553 3.157 20 0 GGADLP CN(C(=O)c1cnc2ccccc2n1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178875958 1429207039 /nfs/dbraw/zinc/20/70/39/1429207039.db2.gz GGZOLSDRGIUZNO-YADHBBJMSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1cnc2ccccc2n1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178875958 1429207055 /nfs/dbraw/zinc/20/70/55/1429207055.db2.gz GGZOLSDRGIUZNO-YADHBBJMSA-N 2 2 395.551 3.039 20 0 GGADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150751127 1417798752 /nfs/dbraw/zinc/79/87/52/1417798752.db2.gz NSTUBYFWJOBAQV-KNQAVFIVSA-N 2 2 385.552 3.167 20 0 GGADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150751127 1417798758 /nfs/dbraw/zinc/79/87/58/1417798758.db2.gz NSTUBYFWJOBAQV-KNQAVFIVSA-N 2 2 385.552 3.167 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000150805032 1417810360 /nfs/dbraw/zinc/81/03/60/1417810360.db2.gz FZMGWANKUMFAOA-IBGZPJMESA-N 2 2 392.547 3.201 20 0 GGADLP O=C(C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)N1CC=C(c2c[nH]c3ccccc32)CC1 ZINC000150805032 1417810362 /nfs/dbraw/zinc/81/03/62/1417810362.db2.gz FZMGWANKUMFAOA-IBGZPJMESA-N 2 2 392.547 3.201 20 0 GGADLP C[NH+](C)c1ccc(N2CCC([NH2+]Cc3ccnc(-n4cccn4)c3)CC2)cc1 ZINC000151097268 1417871462 /nfs/dbraw/zinc/87/14/62/1417871462.db2.gz VMCMXLMDEHQIPB-UHFFFAOYSA-N 2 2 376.508 3.092 20 0 GGADLP Cc1[nH+]ccn1C[C@H](C)CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000151384805 1417943582 /nfs/dbraw/zinc/94/35/82/1417943582.db2.gz KGDLVXJLDRDCCP-CZAAIQMYSA-N 2 2 392.507 3.252 20 0 GGADLP CN(C(=O)NCCc1ccccc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000178929352 1429222767 /nfs/dbraw/zinc/22/27/67/1429222767.db2.gz JIXLRLVUNGCHAG-VXKWHMMOSA-N 2 2 386.584 3.208 20 0 GGADLP CN(C(=O)NCCc1ccccc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000178929352 1429222775 /nfs/dbraw/zinc/22/27/75/1429222775.db2.gz JIXLRLVUNGCHAG-VXKWHMMOSA-N 2 2 386.584 3.208 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(C(F)(F)F)ccc3F)CC2)CC1 ZINC000151479988 1417994414 /nfs/dbraw/zinc/99/44/14/1417994414.db2.gz BJWDPVIXMDCDPF-UHFFFAOYSA-N 2 2 387.421 3.133 20 0 GGADLP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151544504 1418020080 /nfs/dbraw/zinc/02/00/80/1418020080.db2.gz CIQBBXJPAKBBGD-NQIIRXRSSA-N 2 2 380.536 3.035 20 0 GGADLP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000151544504 1418020090 /nfs/dbraw/zinc/02/00/90/1418020090.db2.gz CIQBBXJPAKBBGD-NQIIRXRSSA-N 2 2 380.536 3.035 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000151559224 1418024692 /nfs/dbraw/zinc/02/46/92/1418024692.db2.gz GMYAIVPXKATPIS-GIVPXCGWSA-N 2 2 381.524 3.313 20 0 GGADLP Fc1ccccc1-c1n[nH]cc1C[NH2+]Cc1cccc(C[NH+]2CCOCC2)c1 ZINC000151574583 1418029200 /nfs/dbraw/zinc/02/92/00/1418029200.db2.gz PQBIHTVPCCYAPP-UHFFFAOYSA-N 2 2 380.467 3.338 20 0 GGADLP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1F ZINC000151615076 1418040416 /nfs/dbraw/zinc/04/04/16/1418040416.db2.gz PGWIYRFJOJTKLU-UHFFFAOYSA-N 2 2 385.483 3.146 20 0 GGADLP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1F ZINC000151615076 1418040422 /nfs/dbraw/zinc/04/04/22/1418040422.db2.gz PGWIYRFJOJTKLU-UHFFFAOYSA-N 2 2 385.483 3.146 20 0 GGADLP CCc1ccc([C@@H](CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)[NH+](C)C)cc1 ZINC000151703530 1418066771 /nfs/dbraw/zinc/06/67/71/1418066771.db2.gz OWUBIPUVMXGZPI-LEWJYISDSA-N 2 2 382.508 3.110 20 0 GGADLP CCc1ccc([C@H](CNC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000151703960 1418066795 /nfs/dbraw/zinc/06/67/95/1418066795.db2.gz NNPXRTLIZNIPHU-DZFGPLHGSA-N 2 2 383.540 3.341 20 0 GGADLP CCc1ccc([C@H](CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)[NH+](C)C)cc1 ZINC000151703732 1418067087 /nfs/dbraw/zinc/06/70/87/1418067087.db2.gz OWUBIPUVMXGZPI-RTWAWAEBSA-N 2 2 382.508 3.110 20 0 GGADLP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000151707381 1418068400 /nfs/dbraw/zinc/06/84/00/1418068400.db2.gz MVWNFHMFNWTJLW-QZTJIDSGSA-N 2 2 386.521 3.143 20 0 GGADLP C[NH+]1CCC(CCNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000151795127 1418088334 /nfs/dbraw/zinc/08/83/34/1418088334.db2.gz LPBYTJOKEDETDN-NHCUHLMSSA-N 2 2 381.524 3.143 20 0 GGADLP C[NH+]1CCC(CCNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000151794946 1418088621 /nfs/dbraw/zinc/08/86/21/1418088621.db2.gz LPBYTJOKEDETDN-LEWJYISDSA-N 2 2 381.524 3.143 20 0 GGADLP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)ccc1SC ZINC000151797214 1418088943 /nfs/dbraw/zinc/08/89/43/1418088943.db2.gz DOVZWUQJLRPLHJ-OXQOHEQNSA-N 2 2 386.561 3.487 20 0 GGADLP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1SC ZINC000151797214 1418088947 /nfs/dbraw/zinc/08/89/47/1418088947.db2.gz DOVZWUQJLRPLHJ-OXQOHEQNSA-N 2 2 386.561 3.487 20 0 GGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC([N@H+](C)CCCO)CC1 ZINC000151962376 1418106564 /nfs/dbraw/zinc/10/65/64/1418106564.db2.gz SULYQFUGUDAKQI-UHFFFAOYSA-N 2 2 385.508 3.003 20 0 GGADLP CCOC(=O)c1c[nH+]c2ccc(C)cc2c1N1CCC([N@@H+](C)CCCO)CC1 ZINC000151962376 1418106568 /nfs/dbraw/zinc/10/65/68/1418106568.db2.gz SULYQFUGUDAKQI-UHFFFAOYSA-N 2 2 385.508 3.003 20 0 GGADLP O=c1ccn(C[NH+]2CCC(n3cc[nH+]c3)CC2)c2c(Br)cccc12 ZINC000152087375 1418141546 /nfs/dbraw/zinc/14/15/46/1418141546.db2.gz UOFPTIYHYKINSR-UHFFFAOYSA-N 2 2 387.281 3.255 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)Cc1ccccc1 ZINC000152150271 1418158592 /nfs/dbraw/zinc/15/85/92/1418158592.db2.gz KINVENGOKZPETP-BAGYTPMASA-N 2 2 397.567 3.429 20 0 GGADLP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152247960 1418184001 /nfs/dbraw/zinc/18/40/01/1418184001.db2.gz QFEXGPSJVWCGDK-MRXNPFEDSA-N 2 2 384.505 3.485 20 0 GGADLP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2-n2cc[nH+]c2)cc1 ZINC000152248055 1418184120 /nfs/dbraw/zinc/18/41/20/1418184120.db2.gz QFEXGPSJVWCGDK-INIZCTEOSA-N 2 2 384.505 3.485 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1-n1cc[nH+]c1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000152249026 1418184229 /nfs/dbraw/zinc/18/42/29/1418184229.db2.gz FNWKMKQVUDBSQL-WMZHIEFXSA-N 2 2 376.504 3.251 20 0 GGADLP C[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000179124189 1429269315 /nfs/dbraw/zinc/26/93/15/1429269315.db2.gz SHCXSYZQOSHZEW-YADHBBJMSA-N 2 2 389.503 3.176 20 0 GGADLP C[N@H+]1CC[C@@H](NC(=O)NCc2ccc(Cn3cc[nH+]c3)cc2)[C@@H]1c1ccccc1 ZINC000179124189 1429269318 /nfs/dbraw/zinc/26/93/18/1429269318.db2.gz SHCXSYZQOSHZEW-YADHBBJMSA-N 2 2 389.503 3.176 20 0 GGADLP C[C@H]1CCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000179344750 1429336811 /nfs/dbraw/zinc/33/68/11/1429336811.db2.gz XJLZCWGSHAFGKZ-JTSKRJEESA-N 2 2 384.568 3.168 20 0 GGADLP Cc1cc2ncc([C@H](C)[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)c(C)n2n1 ZINC000179400290 1429359887 /nfs/dbraw/zinc/35/98/87/1429359887.db2.gz ILTKGYGEIHGVHV-KRWDZBQOSA-N 2 2 379.508 3.029 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000179432428 1429373698 /nfs/dbraw/zinc/37/36/98/1429373698.db2.gz GXPJPWRVIVFVEG-CYBMUJFWSA-N 2 2 392.297 3.366 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000179432428 1429373709 /nfs/dbraw/zinc/37/37/09/1429373709.db2.gz GXPJPWRVIVFVEG-CYBMUJFWSA-N 2 2 392.297 3.366 20 0 GGADLP CN(C(=O)NCc1ccsc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179511517 1429402601 /nfs/dbraw/zinc/40/26/01/1429402601.db2.gz ZCOMKUWSJSAOIK-OALUTQOASA-N 2 2 378.586 3.227 20 0 GGADLP CN(C(=O)NCc1ccsc1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179511517 1429402604 /nfs/dbraw/zinc/40/26/04/1429402604.db2.gz ZCOMKUWSJSAOIK-OALUTQOASA-N 2 2 378.586 3.227 20 0 GGADLP CC(C)([NH2+]CC(=O)N1CC[NH+](Cc2cccs2)CC1)c1cccc(F)c1 ZINC000179564644 1429436799 /nfs/dbraw/zinc/43/67/99/1429436799.db2.gz JXOBLBHSGATOLZ-UHFFFAOYSA-N 2 2 375.513 3.056 20 0 GGADLP CC(C)([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000179601493 1429465190 /nfs/dbraw/zinc/46/51/90/1429465190.db2.gz VVLATCPBWIXUGJ-UHFFFAOYSA-N 2 2 386.927 3.299 20 0 GGADLP CC(C)Oc1cccc([C@@H](C)[NH2+]CCC(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000179668592 1429499103 /nfs/dbraw/zinc/49/91/03/1429499103.db2.gz WFCIKFVYPUGWQE-LJQANCHMSA-N 2 2 396.535 3.258 20 0 GGADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000179678410 1429504002 /nfs/dbraw/zinc/50/40/02/1429504002.db2.gz KNYFVAWYDXLXPC-RTWAWAEBSA-N 2 2 387.572 3.499 20 0 GGADLP Cc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(C)n1 ZINC000179678410 1429504009 /nfs/dbraw/zinc/50/40/09/1429504009.db2.gz KNYFVAWYDXLXPC-RTWAWAEBSA-N 2 2 387.572 3.499 20 0 GGADLP CCOCc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC ZINC000179713243 1429518468 /nfs/dbraw/zinc/51/84/68/1429518468.db2.gz OJIZDAXZPNNUQB-BGYRXZFFSA-N 2 2 389.584 3.222 20 0 GGADLP CCOCc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC ZINC000179713243 1429518473 /nfs/dbraw/zinc/51/84/73/1429518473.db2.gz OJIZDAXZPNNUQB-BGYRXZFFSA-N 2 2 389.584 3.222 20 0 GGADLP C[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000152392694 1422090807 /nfs/dbraw/zinc/09/08/07/1422090807.db2.gz XLLMREOIVCBLJS-NQIIRXRSSA-N 2 2 395.551 3.313 20 0 GGADLP C[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C[C@@H]1n1cc[nH+]c1 ZINC000152392694 1422090811 /nfs/dbraw/zinc/09/08/11/1422090811.db2.gz XLLMREOIVCBLJS-NQIIRXRSSA-N 2 2 395.551 3.313 20 0 GGADLP C[C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000152392961 1422090892 /nfs/dbraw/zinc/09/08/92/1422090892.db2.gz XLLMREOIVCBLJS-GHTZIAJQSA-N 2 2 395.551 3.313 20 0 GGADLP C[C@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)C[C@H]1n1cc[nH+]c1 ZINC000152392961 1422090897 /nfs/dbraw/zinc/09/08/97/1422090897.db2.gz XLLMREOIVCBLJS-GHTZIAJQSA-N 2 2 395.551 3.313 20 0 GGADLP CCOC(=O)N1CCC([NH2+]CC2([NH2+][C@H](C)c3ccccc3)CCOCC2)CC1 ZINC000152460875 1422110163 /nfs/dbraw/zinc/11/01/63/1422110163.db2.gz NPOPELCIWDOGPM-GOSISDBHSA-N 2 2 389.540 3.097 20 0 GGADLP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@@H]1n1cc[nH+]c1 ZINC000152552346 1422140346 /nfs/dbraw/zinc/14/03/46/1422140346.db2.gz RUNHMXXMPZFJTO-UTKZUKDTSA-N 2 2 399.514 3.279 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000152705819 1422217103 /nfs/dbraw/zinc/21/71/03/1422217103.db2.gz LISMQJZFGRZVCY-HCXYKTFWSA-N 2 2 375.561 3.232 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)C1 ZINC000152705819 1422217109 /nfs/dbraw/zinc/21/71/09/1422217109.db2.gz LISMQJZFGRZVCY-HCXYKTFWSA-N 2 2 375.561 3.232 20 0 GGADLP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152733893 1422228814 /nfs/dbraw/zinc/22/88/14/1422228814.db2.gz DHRCCFCZGCNALD-INIZCTEOSA-N 2 2 388.943 3.442 20 0 GGADLP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCc1cn2c([nH+]1)CCCC2 ZINC000152734012 1422229121 /nfs/dbraw/zinc/22/91/21/1422229121.db2.gz DHRCCFCZGCNALD-MRXNPFEDSA-N 2 2 388.943 3.442 20 0 GGADLP C[C@@H]([NH2+]CCc1cn2c([nH+]1)CCCC2)c1ccc(OCc2nccn2C)cc1 ZINC000152760123 1422239155 /nfs/dbraw/zinc/23/91/55/1422239155.db2.gz KAIAFMHZVGVDAN-QGZVFWFLSA-N 2 2 379.508 3.425 20 0 GGADLP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153008427 1422324946 /nfs/dbraw/zinc/32/49/46/1422324946.db2.gz AACLVEZKHAYHGR-TZIWHRDSSA-N 2 2 399.583 3.346 20 0 GGADLP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000153008427 1422324957 /nfs/dbraw/zinc/32/49/57/1422324957.db2.gz AACLVEZKHAYHGR-TZIWHRDSSA-N 2 2 399.583 3.346 20 0 GGADLP C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000153123495 1422364482 /nfs/dbraw/zinc/36/44/82/1422364482.db2.gz XZUDAHSMTSYKSV-MRXNPFEDSA-N 2 2 385.489 3.005 20 0 GGADLP CCC[NH+]1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000153198734 1422390051 /nfs/dbraw/zinc/39/00/51/1422390051.db2.gz JILLZJKJIUARQG-LEWJYISDSA-N 2 2 381.524 3.285 20 0 GGADLP CCc1onc(C)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179773512 1429553107 /nfs/dbraw/zinc/55/31/07/1429553107.db2.gz KJHAGNVXONAGSS-ZWKOTPCHSA-N 2 2 391.560 3.346 20 0 GGADLP CCc1onc(C)c1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179773512 1429553117 /nfs/dbraw/zinc/55/31/17/1429553117.db2.gz KJHAGNVXONAGSS-ZWKOTPCHSA-N 2 2 391.560 3.346 20 0 GGADLP CCc1onc(C)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000179773554 1429553999 /nfs/dbraw/zinc/55/39/99/1429553999.db2.gz KJHAGNVXONAGSS-MSOLQXFVSA-N 2 2 391.560 3.346 20 0 GGADLP CCc1onc(C)c1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000179773554 1429554003 /nfs/dbraw/zinc/55/40/03/1429554003.db2.gz KJHAGNVXONAGSS-MSOLQXFVSA-N 2 2 391.560 3.346 20 0 GGADLP COc1ccc(C[NH+](C)[C@@H](C)CC[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000153519158 1422582580 /nfs/dbraw/zinc/58/25/80/1422582580.db2.gz NDBUSTPLJIRHFW-INIZCTEOSA-N 2 2 388.508 3.457 20 0 GGADLP COc1ccc(C[NH+](C)[C@@H](C)CC[N@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000153519158 1422582585 /nfs/dbraw/zinc/58/25/85/1422582585.db2.gz NDBUSTPLJIRHFW-INIZCTEOSA-N 2 2 388.508 3.457 20 0 GGADLP COc1ccc(C[NH+](C)CC[C@H](C)[N@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000153519158 1422582593 /nfs/dbraw/zinc/58/25/93/1422582593.db2.gz NDBUSTPLJIRHFW-INIZCTEOSA-N 2 2 388.508 3.457 20 0 GGADLP COc1ccc(C[NH+](C)CC[C@H](C)[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1O ZINC000153519158 1422582598 /nfs/dbraw/zinc/58/25/98/1422582598.db2.gz NDBUSTPLJIRHFW-INIZCTEOSA-N 2 2 388.508 3.457 20 0 GGADLP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)c1ccccc1 ZINC000153545618 1422600285 /nfs/dbraw/zinc/60/02/85/1422600285.db2.gz CZQJEQHEHXSHDP-XLIONFOSSA-N 2 2 382.508 3.374 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000153560492 1422616150 /nfs/dbraw/zinc/61/61/50/1422616150.db2.gz YFTKJCJGTFYDML-AWEZNQCLSA-N 2 2 384.927 3.208 20 0 GGADLP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000153560492 1422616167 /nfs/dbraw/zinc/61/61/67/1422616167.db2.gz YFTKJCJGTFYDML-AWEZNQCLSA-N 2 2 384.927 3.208 20 0 GGADLP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000153659502 1422685524 /nfs/dbraw/zinc/68/55/24/1422685524.db2.gz LFUHQGROYCACCH-QFBILLFUSA-N 2 2 394.441 3.090 20 0 GGADLP C[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)Cn1cc[nH+]c1 ZINC000153659502 1422685537 /nfs/dbraw/zinc/68/55/37/1422685537.db2.gz LFUHQGROYCACCH-QFBILLFUSA-N 2 2 394.441 3.090 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)c(OC)c1 ZINC000153687696 1422703162 /nfs/dbraw/zinc/70/31/62/1422703162.db2.gz REAFJZXMCYMHBZ-CVEARBPZSA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)c(OC)c1 ZINC000153687696 1422703177 /nfs/dbraw/zinc/70/31/77/1422703177.db2.gz REAFJZXMCYMHBZ-CVEARBPZSA-N 2 2 375.513 3.027 20 0 GGADLP CC[C@@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000153835723 1422788810 /nfs/dbraw/zinc/78/88/10/1422788810.db2.gz JGTANTFLKGSKQA-UNMCSNQZSA-N 2 2 394.519 3.081 20 0 GGADLP CC[C@@H](CNC(=O)N1CC[C@H](Oc2cc[nH+]cc2)C1)[N@H+]1CCc2ccccc2C1 ZINC000153835723 1422788836 /nfs/dbraw/zinc/78/88/36/1422788836.db2.gz JGTANTFLKGSKQA-UNMCSNQZSA-N 2 2 394.519 3.081 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1)c1ccsc1 ZINC000153934622 1422813519 /nfs/dbraw/zinc/81/35/19/1422813519.db2.gz JZPMCAIOTLJYMN-RTBURBONSA-N 2 2 388.537 3.389 20 0 GGADLP CN(C(=O)c1ccc2c(c1)N(C)CC2)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000153980495 1422820356 /nfs/dbraw/zinc/82/03/56/1422820356.db2.gz LRXFJHIJQGCIBQ-YADHBBJMSA-N 2 2 398.595 3.088 20 0 GGADLP CN(C(=O)c1ccc2c(c1)N(C)CC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000153980495 1422820357 /nfs/dbraw/zinc/82/03/57/1422820357.db2.gz LRXFJHIJQGCIBQ-YADHBBJMSA-N 2 2 398.595 3.088 20 0 GGADLP COCC[N@H+](C)CCCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000179818137 1429590553 /nfs/dbraw/zinc/59/05/53/1429590553.db2.gz AUCIMITYIRTZBG-UHFFFAOYSA-N 2 2 384.524 3.083 20 0 GGADLP COCC[N@@H+](C)CCCC1CCN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)CC1 ZINC000179818137 1429590558 /nfs/dbraw/zinc/59/05/58/1429590558.db2.gz AUCIMITYIRTZBG-UHFFFAOYSA-N 2 2 384.524 3.083 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1 ZINC000154223145 1422857894 /nfs/dbraw/zinc/85/78/94/1422857894.db2.gz FXJJCNFGJRFMRJ-OAQYLSRUSA-N 2 2 382.508 3.286 20 0 GGADLP C[C@H](NC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(C)(C)C[NH+](C)C ZINC000154257639 1422863189 /nfs/dbraw/zinc/86/31/89/1422863189.db2.gz KCTZBHZHXWZNDH-FFZOFVMBSA-N 2 2 383.540 3.387 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)CC1 ZINC000154375131 1422880365 /nfs/dbraw/zinc/88/03/65/1422880365.db2.gz VINMHCONIOZERI-ICSRJNTNSA-N 2 2 375.561 3.234 20 0 GGADLP Cc1ccc2c(C[NH+]3CCN(CC[NH+]4[C@@H](C)CC[C@@H]4C)CC3)cc(=O)oc2c1C ZINC000154546313 1422917868 /nfs/dbraw/zinc/91/78/68/1422917868.db2.gz BKICXOMTFOKUGO-OALUTQOASA-N 2 2 397.563 3.400 20 0 GGADLP COc1cccc([C@@H](CNC2CC[NH+](Cc3cccnc3)CC2)[NH+]2CCCC2)c1 ZINC000154872708 1423061756 /nfs/dbraw/zinc/06/17/56/1423061756.db2.gz GJHCIKVDKISCIW-XMMPIXPASA-N 2 2 394.563 3.481 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 ZINC000154888046 1423069053 /nfs/dbraw/zinc/06/90/53/1423069053.db2.gz JJXNJUPWKZYRTJ-KRWDZBQOSA-N 2 2 394.581 3.164 20 0 GGADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000155134763 1423189890 /nfs/dbraw/zinc/18/98/90/1423189890.db2.gz FFPILNJPYLNJRS-HOTGVXAUSA-N 2 2 384.505 3.192 20 0 GGADLP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3)cc2)c1 ZINC000155134985 1423189912 /nfs/dbraw/zinc/18/99/12/1423189912.db2.gz FFPILNJPYLNJRS-JKSUJKDBSA-N 2 2 384.505 3.192 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1cccnc1Cl ZINC000155161346 1423203541 /nfs/dbraw/zinc/20/35/41/1423203541.db2.gz UWFYPZKHCUTLIV-INIZCTEOSA-N 2 2 375.900 3.297 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000155242232 1423268557 /nfs/dbraw/zinc/26/85/57/1423268557.db2.gz CYKNFJCVOMHSBZ-QAPCUYQASA-N 2 2 394.441 3.418 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000155242232 1423268566 /nfs/dbraw/zinc/26/85/66/1423268566.db2.gz CYKNFJCVOMHSBZ-QAPCUYQASA-N 2 2 394.441 3.418 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000155274127 1423291696 /nfs/dbraw/zinc/29/16/96/1423291696.db2.gz VFWHUFRWSBFGOB-DENIHFKCSA-N 2 2 386.584 3.270 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(N2CCCCC2)cc1 ZINC000155274127 1423291713 /nfs/dbraw/zinc/29/17/13/1423291713.db2.gz VFWHUFRWSBFGOB-DENIHFKCSA-N 2 2 386.584 3.270 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1OC(F)F ZINC000155353853 1423329671 /nfs/dbraw/zinc/32/96/71/1423329671.db2.gz NOTHPQFLQJBFKW-CZUORRHYSA-N 2 2 387.446 3.020 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(F)cc1OC(F)F ZINC000155353853 1423329689 /nfs/dbraw/zinc/32/96/89/1423329689.db2.gz NOTHPQFLQJBFKW-CZUORRHYSA-N 2 2 387.446 3.020 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000155411580 1423352984 /nfs/dbraw/zinc/35/29/84/1423352984.db2.gz RHDWLSVVHNWJPP-SFTDATJTSA-N 2 2 399.535 3.070 20 0 GGADLP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1)c1ccco1 ZINC000155411580 1423352991 /nfs/dbraw/zinc/35/29/91/1423352991.db2.gz RHDWLSVVHNWJPP-SFTDATJTSA-N 2 2 399.535 3.070 20 0 GGADLP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000155454898 1423371703 /nfs/dbraw/zinc/37/17/03/1423371703.db2.gz BSRFGRPPHOEDKQ-UHFFFAOYSA-N 2 2 395.551 3.392 20 0 GGADLP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000155454898 1423371708 /nfs/dbraw/zinc/37/17/08/1423371708.db2.gz BSRFGRPPHOEDKQ-UHFFFAOYSA-N 2 2 395.551 3.392 20 0 GGADLP COc1ccc(C[N@H+](CCO)C2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000155502410 1423389088 /nfs/dbraw/zinc/38/90/88/1423389088.db2.gz LQEWXXYFBSSCCM-UHFFFAOYSA-N 2 2 384.520 3.163 20 0 GGADLP COc1ccc(C[N@@H+](CCO)C2CC[NH+](C)CC2)cc1OCc1ccccc1 ZINC000155502410 1423389101 /nfs/dbraw/zinc/38/91/01/1423389101.db2.gz LQEWXXYFBSSCCM-UHFFFAOYSA-N 2 2 384.520 3.163 20 0 GGADLP C[S@@](=O)c1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000155540937 1423408980 /nfs/dbraw/zinc/40/89/80/1423408980.db2.gz SJGVBFAEQSJWLP-NDEPHWFRSA-N 2 2 399.604 3.112 20 0 GGADLP Cn1c(=S)n(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1C1CC1 ZINC000179918335 1429640807 /nfs/dbraw/zinc/64/08/07/1429640807.db2.gz LWNGHHQUGFFSIR-UHFFFAOYSA-N 2 2 386.569 3.419 20 0 GGADLP Cn1c(=S)n(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1C1CC1 ZINC000179918335 1429640818 /nfs/dbraw/zinc/64/08/18/1429640818.db2.gz LWNGHHQUGFFSIR-UHFFFAOYSA-N 2 2 386.569 3.419 20 0 GGADLP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000155622201 1423452236 /nfs/dbraw/zinc/45/22/36/1423452236.db2.gz LRTYKAKSCDZLHG-QIIPPGSGSA-N 2 2 399.963 3.025 20 0 GGADLP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000155622201 1423452243 /nfs/dbraw/zinc/45/22/43/1423452243.db2.gz LRTYKAKSCDZLHG-QIIPPGSGSA-N 2 2 399.963 3.025 20 0 GGADLP CCn1cc([C@@H](C)[NH2+]CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cn1 ZINC000155702273 1423495527 /nfs/dbraw/zinc/49/55/27/1423495527.db2.gz BNTZETISGWFKSS-QGZVFWFLSA-N 2 2 375.948 3.419 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC([NH+]3CC=CC3)CC2)C[C@H](C)O1 ZINC000155729821 1423507949 /nfs/dbraw/zinc/50/79/49/1423507949.db2.gz FKIHWVYMWXVNSD-KDURUIRLSA-N 2 2 398.551 3.164 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC([NH+]3CC=CC3)CC2)C[C@H](C)O1 ZINC000155729821 1423507956 /nfs/dbraw/zinc/50/79/56/1423507956.db2.gz FKIHWVYMWXVNSD-KDURUIRLSA-N 2 2 398.551 3.164 20 0 GGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc4ccc(C)cn34)cc2)CC1 ZINC000155864549 1423567293 /nfs/dbraw/zinc/56/72/93/1423567293.db2.gz NEJJDUNNTMQNLI-UHFFFAOYSA-N 2 2 377.536 3.070 20 0 GGADLP CC(C)[C@@H](NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156045654 1423647927 /nfs/dbraw/zinc/64/79/27/1423647927.db2.gz OLVUPLAJNSHCAQ-HXUWFJFHSA-N 2 2 396.526 3.329 20 0 GGADLP CC(C)[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000156045654 1423647939 /nfs/dbraw/zinc/64/79/39/1423647939.db2.gz OLVUPLAJNSHCAQ-HXUWFJFHSA-N 2 2 396.526 3.329 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000156140284 1423689859 /nfs/dbraw/zinc/68/98/59/1423689859.db2.gz HBSLUAPMWLTEDG-CEXWTWQISA-N 2 2 380.536 3.240 20 0 GGADLP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000156140284 1423689870 /nfs/dbraw/zinc/68/98/70/1423689870.db2.gz HBSLUAPMWLTEDG-CEXWTWQISA-N 2 2 380.536 3.240 20 0 GGADLP O=C(NCc1cccc(Cn2cc[nH+]c2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156161932 1423701716 /nfs/dbraw/zinc/70/17/16/1423701716.db2.gz HRSUPLPPJJFHRB-NRFANRHFSA-N 2 2 381.524 3.091 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000156192942 1423717541 /nfs/dbraw/zinc/71/75/41/1423717541.db2.gz YCBGKDBEBBTUBT-UHFFFAOYSA-N 2 2 382.405 3.281 20 0 GGADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000156213840 1423729498 /nfs/dbraw/zinc/72/94/98/1423729498.db2.gz PUQXMAMMSBKLCY-ROUUACIJSA-N 2 2 389.565 3.156 20 0 GGADLP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000156213840 1423729504 /nfs/dbraw/zinc/72/95/04/1423729504.db2.gz PUQXMAMMSBKLCY-ROUUACIJSA-N 2 2 389.565 3.156 20 0 GGADLP CC(C)n1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1C1CC1 ZINC000156260764 1423747190 /nfs/dbraw/zinc/74/71/90/1423747190.db2.gz KOKANDIXYUTCOM-UHFFFAOYSA-N 2 2 387.572 3.022 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)CC1 ZINC000156790895 1423865526 /nfs/dbraw/zinc/86/55/26/1423865526.db2.gz JMJSBIJKMNMGBY-ICSRJNTNSA-N 2 2 383.540 3.126 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nnc(-c4ccc(C)c(C)c4)o3)C2)CC1 ZINC000156790895 1423865529 /nfs/dbraw/zinc/86/55/29/1423865529.db2.gz JMJSBIJKMNMGBY-ICSRJNTNSA-N 2 2 383.540 3.126 20 0 GGADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000156792586 1423865724 /nfs/dbraw/zinc/86/57/24/1423865724.db2.gz ZNZLCJKMPRKGON-BQJUDKOJSA-N 2 2 391.600 3.033 20 0 GGADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000156792586 1423865725 /nfs/dbraw/zinc/86/57/25/1423865725.db2.gz ZNZLCJKMPRKGON-BQJUDKOJSA-N 2 2 391.600 3.033 20 0 GGADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000156792135 1423865850 /nfs/dbraw/zinc/86/58/50/1423865850.db2.gz ZNZLCJKMPRKGON-JSXRDJHFSA-N 2 2 391.600 3.033 20 0 GGADLP CC(=O)[C@@H]1C[C@H](C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)C1(C)C ZINC000156792135 1423865851 /nfs/dbraw/zinc/86/58/51/1423865851.db2.gz ZNZLCJKMPRKGON-JSXRDJHFSA-N 2 2 391.600 3.033 20 0 GGADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(C)(C)C)cc1 ZINC000156891852 1423881379 /nfs/dbraw/zinc/88/13/79/1423881379.db2.gz MGVSMVSSLUTVAA-FXAWDEMLSA-N 2 2 375.557 3.457 20 0 GGADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(OC(C)(C)C)cc1 ZINC000156891852 1423881382 /nfs/dbraw/zinc/88/13/82/1423881382.db2.gz MGVSMVSSLUTVAA-FXAWDEMLSA-N 2 2 375.557 3.457 20 0 GGADLP COc1cc(C[NH+](C)[C@H](C)CC[N@@H+](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000156942168 1423890328 /nfs/dbraw/zinc/89/03/28/1423890328.db2.gz WNDUDGYTVMPUJW-MRXNPFEDSA-N 2 2 388.508 3.457 20 0 GGADLP COc1cc(C[NH+](C)[C@H](C)CC[N@H+](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000156942168 1423890330 /nfs/dbraw/zinc/89/03/30/1423890330.db2.gz WNDUDGYTVMPUJW-MRXNPFEDSA-N 2 2 388.508 3.457 20 0 GGADLP COc1cc(C[NH+](C)CC[C@@H](C)[N@H+](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000156942168 1423890333 /nfs/dbraw/zinc/89/03/33/1423890333.db2.gz WNDUDGYTVMPUJW-MRXNPFEDSA-N 2 2 388.508 3.457 20 0 GGADLP COc1cc(C[NH+](C)CC[C@@H](C)[N@@H+](C)Cc2ccc(O)c(OC)c2)ccc1O ZINC000156942168 1423890336 /nfs/dbraw/zinc/89/03/36/1423890336.db2.gz WNDUDGYTVMPUJW-MRXNPFEDSA-N 2 2 388.508 3.457 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000157049772 1423911019 /nfs/dbraw/zinc/91/10/19/1423911019.db2.gz DYKSUZJAXMKSMK-ICSRJNTNSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@H]1C[C@@H]([NH+](C)CCN2C(=O)c3ccccc3C2=O)CC[N@H+]1Cc1ccccc1 ZINC000157049772 1423911025 /nfs/dbraw/zinc/91/10/25/1423911025.db2.gz DYKSUZJAXMKSMK-ICSRJNTNSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@H]1C[C@@H]([N@H+](C)CCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000157049772 1423911033 /nfs/dbraw/zinc/91/10/33/1423911033.db2.gz DYKSUZJAXMKSMK-ICSRJNTNSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@H]1C[C@@H]([N@@H+](C)CCN2C(=O)c3ccccc3C2=O)CC[NH+]1Cc1ccccc1 ZINC000157049772 1423911041 /nfs/dbraw/zinc/91/10/41/1423911041.db2.gz DYKSUZJAXMKSMK-ICSRJNTNSA-N 2 2 391.515 3.268 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000157067651 1423916099 /nfs/dbraw/zinc/91/60/99/1423916099.db2.gz ZYKKUEUYROBXJD-KBAYOESNSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@H]([NH+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000157067651 1423916104 /nfs/dbraw/zinc/91/61/04/1423916104.db2.gz ZYKKUEUYROBXJD-KBAYOESNSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@H]([N@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000157067651 1423916109 /nfs/dbraw/zinc/91/61/09/1423916109.db2.gz ZYKKUEUYROBXJD-KBAYOESNSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@H]([N@@H+](C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000157067651 1423916115 /nfs/dbraw/zinc/91/61/15/1423916115.db2.gz ZYKKUEUYROBXJD-KBAYOESNSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1nc2ccc(Cl)cc2n1C ZINC000180004369 1429685890 /nfs/dbraw/zinc/68/58/90/1429685890.db2.gz CYIMGFBEEHTVRR-HNNXBMFYSA-N 2 2 398.942 3.224 20 0 GGADLP O=C(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000157289657 1423975792 /nfs/dbraw/zinc/97/57/92/1423975792.db2.gz CGKDWSAQIAFQPI-GOSISDBHSA-N 2 2 380.536 3.003 20 0 GGADLP O=C(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCc2[nH]c3ccccc3c2C1 ZINC000157289657 1423975798 /nfs/dbraw/zinc/97/57/98/1423975798.db2.gz CGKDWSAQIAFQPI-GOSISDBHSA-N 2 2 380.536 3.003 20 0 GGADLP Cn1cc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2cccc(F)c2)cn1 ZINC000180010410 1429689710 /nfs/dbraw/zinc/68/97/10/1429689710.db2.gz FHVRWMDKIQUJPE-HSZRJFAPSA-N 2 2 394.494 3.271 20 0 GGADLP C[NH+]1CCN(c2ncc(C[NH+](Cc3ccccc3)Cc3ccccc3)cn2)CC1 ZINC000157473008 1424018349 /nfs/dbraw/zinc/01/83/49/1424018349.db2.gz IAXWCBJATDRNKW-UHFFFAOYSA-N 2 2 387.531 3.431 20 0 GGADLP CC(C)n1ncc2cc(C[NH+]3CCN(CC[NH+]4[C@H](C)CC[C@H]4C)CC3)cnc21 ZINC000157613006 1424049141 /nfs/dbraw/zinc/04/91/41/1424049141.db2.gz AVTSWJQZIWFVAY-RTBURBONSA-N 2 2 384.572 3.003 20 0 GGADLP O=C(NCc1ccc(-n2cc[nH+]c2)c(F)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157712812 1424072205 /nfs/dbraw/zinc/07/22/05/1424072205.db2.gz HESCVMVCDAPDKY-GOSISDBHSA-N 2 2 385.487 3.171 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157753526 1424080986 /nfs/dbraw/zinc/08/09/86/1424080986.db2.gz WVBUAOAREWOXCL-MSOLQXFVSA-N 2 2 377.492 3.343 20 0 GGADLP C[C@H]([NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000157753690 1424081053 /nfs/dbraw/zinc/08/10/53/1424081053.db2.gz WVBUAOAREWOXCL-ROUUACIJSA-N 2 2 377.492 3.343 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000157763502 1424082217 /nfs/dbraw/zinc/08/22/17/1424082217.db2.gz MDENKRRINFYKMX-UHFFFAOYSA-N 2 2 387.553 3.300 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000157763502 1424082224 /nfs/dbraw/zinc/08/22/24/1424082224.db2.gz MDENKRRINFYKMX-UHFFFAOYSA-N 2 2 387.553 3.300 20 0 GGADLP Cc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000157780254 1424086169 /nfs/dbraw/zinc/08/61/69/1424086169.db2.gz YNVAHXZYBHNHHW-YADHBBJMSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157780254 1424086177 /nfs/dbraw/zinc/08/61/77/1424086177.db2.gz YNVAHXZYBHNHHW-YADHBBJMSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000157779966 1424086477 /nfs/dbraw/zinc/08/64/77/1424086477.db2.gz YNVAHXZYBHNHHW-VXKWHMMOSA-N 2 2 386.584 3.474 20 0 GGADLP Cc1ccccc1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000157779966 1424086478 /nfs/dbraw/zinc/08/64/78/1424086478.db2.gz YNVAHXZYBHNHHW-VXKWHMMOSA-N 2 2 386.584 3.474 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000157900199 1424116122 /nfs/dbraw/zinc/11/61/22/1424116122.db2.gz FONVMERGDVXVEM-UHFFFAOYSA-N 2 2 388.556 3.498 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000157900199 1424116127 /nfs/dbraw/zinc/11/61/27/1424116127.db2.gz FONVMERGDVXVEM-UHFFFAOYSA-N 2 2 388.556 3.498 20 0 GGADLP O=[N+]([O-])c1ccc(-c2cnn(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)cc1 ZINC000158008706 1424138698 /nfs/dbraw/zinc/13/86/98/1424138698.db2.gz ZDIKTTFAHUMFSZ-DYESRHJHSA-N 2 2 381.480 3.365 20 0 GGADLP O=[N+]([O-])c1ccc(-c2cnn(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)cc1 ZINC000158008706 1424138706 /nfs/dbraw/zinc/13/87/06/1424138706.db2.gz ZDIKTTFAHUMFSZ-DYESRHJHSA-N 2 2 381.480 3.365 20 0 GGADLP O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000158008706 1424138707 /nfs/dbraw/zinc/13/87/07/1424138707.db2.gz ZDIKTTFAHUMFSZ-DYESRHJHSA-N 2 2 381.480 3.365 20 0 GGADLP O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)c2)cc1 ZINC000158008706 1424138709 /nfs/dbraw/zinc/13/87/09/1424138709.db2.gz ZDIKTTFAHUMFSZ-DYESRHJHSA-N 2 2 381.480 3.365 20 0 GGADLP CC(C)COCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000158157006 1424181263 /nfs/dbraw/zinc/18/12/63/1424181263.db2.gz DZZCISXELCAQSS-LEWJYISDSA-N 2 2 396.620 3.028 20 0 GGADLP CC(C)COCCCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000158157006 1424181273 /nfs/dbraw/zinc/18/12/73/1424181273.db2.gz DZZCISXELCAQSS-LEWJYISDSA-N 2 2 396.620 3.028 20 0 GGADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1OC(F)F ZINC000158471406 1424266024 /nfs/dbraw/zinc/26/60/24/1424266024.db2.gz AWCHGCNUIRMHCT-HNNXBMFYSA-N 2 2 376.451 3.286 20 0 GGADLP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000158496810 1424272496 /nfs/dbraw/zinc/27/24/96/1424272496.db2.gz KQBKPNRDEXWVBZ-FQEVSTJZSA-N 2 2 378.520 3.370 20 0 GGADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000158528904 1424280222 /nfs/dbraw/zinc/28/02/22/1424280222.db2.gz WMMFLPLYPYVJQN-CQSZACIVSA-N 2 2 394.441 3.425 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158611038 1424301838 /nfs/dbraw/zinc/30/18/38/1424301838.db2.gz JUBUDKGGWQJJPE-SPYBWZPUSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158611038 1424301846 /nfs/dbraw/zinc/30/18/46/1424301846.db2.gz JUBUDKGGWQJJPE-SPYBWZPUSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158611038 1424301854 /nfs/dbraw/zinc/30/18/54/1424301854.db2.gz JUBUDKGGWQJJPE-SPYBWZPUSA-N 2 2 381.923 3.242 20 0 GGADLP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158611038 1424301858 /nfs/dbraw/zinc/30/18/58/1424301858.db2.gz JUBUDKGGWQJJPE-SPYBWZPUSA-N 2 2 381.923 3.242 20 0 GGADLP CN(CC[NH2+]C1CCN(c2ccc([NH+](C)C)cc2)CC1)C(=O)OC(C)(C)C ZINC000158685647 1424319580 /nfs/dbraw/zinc/31/95/80/1424319580.db2.gz ZSFLCZDRKWCEEW-UHFFFAOYSA-N 2 2 376.545 3.178 20 0 GGADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1nc2ccc(Cl)cc2n1C ZINC000180057902 1429717571 /nfs/dbraw/zinc/71/75/71/1429717571.db2.gz PITFAZDAXARTSB-HNNXBMFYSA-N 2 2 398.942 3.224 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000158943403 1424378606 /nfs/dbraw/zinc/37/86/06/1424378606.db2.gz NBHVFJYWTBXLMW-GMAHTHKFSA-N 2 2 395.547 3.223 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000158943403 1424378611 /nfs/dbraw/zinc/37/86/11/1424378611.db2.gz NBHVFJYWTBXLMW-GMAHTHKFSA-N 2 2 395.547 3.223 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000158943403 1424378615 /nfs/dbraw/zinc/37/86/15/1424378615.db2.gz NBHVFJYWTBXLMW-GMAHTHKFSA-N 2 2 395.547 3.223 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000158943403 1424378621 /nfs/dbraw/zinc/37/86/21/1424378621.db2.gz NBHVFJYWTBXLMW-GMAHTHKFSA-N 2 2 395.547 3.223 20 0 GGADLP Cc1cccn2cc(CCNC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)[nH+]c12 ZINC000159046573 1424404643 /nfs/dbraw/zinc/40/46/43/1424404643.db2.gz QLYQCWUSCWWWBO-UHFFFAOYSA-N 2 2 397.567 3.483 20 0 GGADLP CC(C)(CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000159209427 1424442962 /nfs/dbraw/zinc/44/29/62/1424442962.db2.gz LQNFOMXJYVYZQX-UHFFFAOYSA-N 2 2 385.512 3.348 20 0 GGADLP CC(C)(C)c1cnc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)o1 ZINC000159340845 1424489862 /nfs/dbraw/zinc/48/98/62/1424489862.db2.gz FSONYROFPGNTDM-UHFFFAOYSA-N 2 2 390.572 3.176 20 0 GGADLP CCNC(=O)c1cccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)c1 ZINC000160186515 1424585111 /nfs/dbraw/zinc/58/51/11/1424585111.db2.gz DGBWHWLMTGLBRT-UHFFFAOYSA-N 2 2 380.536 3.261 20 0 GGADLP CSCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000161383365 1424684453 /nfs/dbraw/zinc/68/44/53/1424684453.db2.gz SMTKVTMWUZSXQC-YTQUADARSA-N 2 2 384.634 3.107 20 0 GGADLP CSCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000161383365 1424684474 /nfs/dbraw/zinc/68/44/74/1424684474.db2.gz SMTKVTMWUZSXQC-YTQUADARSA-N 2 2 384.634 3.107 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)CC1 ZINC000161627982 1424728557 /nfs/dbraw/zinc/72/85/57/1424728557.db2.gz CVDSYAWLGCXCRI-CYBMUJFWSA-N 2 2 390.496 3.217 20 0 GGADLP C[C@@H]1Oc2ccc(C(=O)C3CC[NH+](CCC[NH+]4CCCCC4)CC3)cc2NC1=O ZINC000161773089 1424760568 /nfs/dbraw/zinc/76/05/68/1424760568.db2.gz SACPJUMOFSOHEY-KRWDZBQOSA-N 2 2 399.535 3.177 20 0 GGADLP CCSCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000161855320 1424780299 /nfs/dbraw/zinc/78/02/99/1424780299.db2.gz KXYLJIVANWYABW-YSIASYRMSA-N 2 2 398.661 3.497 20 0 GGADLP CCSCC[C@H](C)NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000161855320 1424780306 /nfs/dbraw/zinc/78/03/06/1424780306.db2.gz KXYLJIVANWYABW-YSIASYRMSA-N 2 2 398.661 3.497 20 0 GGADLP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)cc1F ZINC000162019044 1424809174 /nfs/dbraw/zinc/80/91/74/1424809174.db2.gz FMTVKQZEQBKSCN-KRWDZBQOSA-N 2 2 388.483 3.396 20 0 GGADLP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CC2 ZINC000162019745 1424809189 /nfs/dbraw/zinc/80/91/89/1424809189.db2.gz LWKSNEKQCMSQJT-JOCHJYFZSA-N 2 2 382.504 3.183 20 0 GGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCOc3ccccc32)c1 ZINC000162032844 1424810573 /nfs/dbraw/zinc/81/05/73/1424810573.db2.gz MXGQPAPIZIUKQJ-OAQYLSRUSA-N 2 2 382.504 3.401 20 0 GGADLP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)CCC2 ZINC000162036221 1424810919 /nfs/dbraw/zinc/81/09/19/1424810919.db2.gz AMRCROHYPUFCHS-GOSISDBHSA-N 2 2 387.549 3.330 20 0 GGADLP CC(C)C1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162087978 1424815130 /nfs/dbraw/zinc/81/51/30/1424815130.db2.gz VWQJDKYDOBCEFU-PMACEKPBSA-N 2 2 378.605 3.401 20 0 GGADLP CC(C)C1(CNC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)CC1 ZINC000162087978 1424815131 /nfs/dbraw/zinc/81/51/31/1424815131.db2.gz VWQJDKYDOBCEFU-PMACEKPBSA-N 2 2 378.605 3.401 20 0 GGADLP CC(C)Cc1ncc(C[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)s1 ZINC000162230991 1424829303 /nfs/dbraw/zinc/82/93/03/1424829303.db2.gz NPCKRSAKJZUIDR-UHFFFAOYSA-N 2 2 389.565 3.342 20 0 GGADLP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162482831 1424857394 /nfs/dbraw/zinc/85/73/94/1424857394.db2.gz LZRGCBXCAAXYJU-IBGZPJMESA-N 2 2 396.539 3.369 20 0 GGADLP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162482831 1424857395 /nfs/dbraw/zinc/85/73/95/1424857395.db2.gz LZRGCBXCAAXYJU-IBGZPJMESA-N 2 2 396.539 3.369 20 0 GGADLP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162482702 1424857563 /nfs/dbraw/zinc/85/75/63/1424857563.db2.gz LZRGCBXCAAXYJU-LJQANCHMSA-N 2 2 396.539 3.369 20 0 GGADLP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C)[nH+]c1N(C)C ZINC000162482702 1424857564 /nfs/dbraw/zinc/85/75/64/1424857564.db2.gz LZRGCBXCAAXYJU-LJQANCHMSA-N 2 2 396.539 3.369 20 0 GGADLP Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000162484826 1424857909 /nfs/dbraw/zinc/85/79/09/1424857909.db2.gz TWHZSWOAIQNITP-LJQANCHMSA-N 2 2 381.524 3.142 20 0 GGADLP Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000162484826 1424857910 /nfs/dbraw/zinc/85/79/10/1424857910.db2.gz TWHZSWOAIQNITP-LJQANCHMSA-N 2 2 381.524 3.142 20 0 GGADLP Cc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000162669427 1424877362 /nfs/dbraw/zinc/87/73/62/1424877362.db2.gz BNVXQFYPZZJAIS-IBGZPJMESA-N 2 2 381.524 3.442 20 0 GGADLP Cc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000162669427 1424877365 /nfs/dbraw/zinc/87/73/65/1424877365.db2.gz BNVXQFYPZZJAIS-IBGZPJMESA-N 2 2 381.524 3.442 20 0 GGADLP Cc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000162669504 1424877440 /nfs/dbraw/zinc/87/74/40/1424877440.db2.gz BNVXQFYPZZJAIS-LJQANCHMSA-N 2 2 381.524 3.442 20 0 GGADLP Cc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(N(C)C)[nH+]1 ZINC000162669504 1424877442 /nfs/dbraw/zinc/87/74/42/1424877442.db2.gz BNVXQFYPZZJAIS-LJQANCHMSA-N 2 2 381.524 3.442 20 0 GGADLP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000162747118 1424887301 /nfs/dbraw/zinc/88/73/01/1424887301.db2.gz KMVPYJGJOCIWNH-MRXNPFEDSA-N 2 2 378.513 3.402 20 0 GGADLP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000162747118 1424887302 /nfs/dbraw/zinc/88/73/02/1424887302.db2.gz KMVPYJGJOCIWNH-MRXNPFEDSA-N 2 2 378.513 3.402 20 0 GGADLP Cc1[nH+]ccn1CCC[N@@H+](C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000162802803 1424891855 /nfs/dbraw/zinc/89/18/55/1424891855.db2.gz LHLXNZVZRKDUFV-UHFFFAOYSA-N 2 2 381.263 3.074 20 0 GGADLP Cc1[nH+]ccn1CCC[N@H+](C)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000162802803 1424891856 /nfs/dbraw/zinc/89/18/56/1424891856.db2.gz LHLXNZVZRKDUFV-UHFFFAOYSA-N 2 2 381.263 3.074 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000162829683 1424894372 /nfs/dbraw/zinc/89/43/72/1424894372.db2.gz HLHHZGKPXWSFJS-MRXNPFEDSA-N 2 2 386.496 3.298 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CCCCNc2cccc[nH+]2)c1 ZINC000162829555 1424894459 /nfs/dbraw/zinc/89/44/59/1424894459.db2.gz HLHHZGKPXWSFJS-INIZCTEOSA-N 2 2 386.496 3.298 20 0 GGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccn4)C[C@@H]3C)cn2)n1 ZINC000162839969 1424895632 /nfs/dbraw/zinc/89/56/32/1424895632.db2.gz FMYJBJBKLYDLLY-JTSKRJEESA-N 2 2 390.535 3.279 20 0 GGADLP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CC[N@H+](Cc4ccccn4)C[C@@H]3C)cn2)n1 ZINC000162839969 1424895635 /nfs/dbraw/zinc/89/56/35/1424895635.db2.gz FMYJBJBKLYDLLY-JTSKRJEESA-N 2 2 390.535 3.279 20 0 GGADLP C[C@H]([NH2+]CCCCNc1cccc[nH+]1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000162860958 1424897408 /nfs/dbraw/zinc/89/74/08/1424897408.db2.gz PWZWQAGPDDBBSQ-KRWDZBQOSA-N 2 2 388.537 3.164 20 0 GGADLP O=C(c1ccoc1)N1CCC([NH2+]CC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000163030318 1424926690 /nfs/dbraw/zinc/92/66/90/1424926690.db2.gz KOQWHMWGNAYLNV-UHFFFAOYSA-N 2 2 391.581 3.226 20 0 GGADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000163512572 1425010248 /nfs/dbraw/zinc/01/02/48/1425010248.db2.gz FRNDSJMYZKQZQO-UHFFFAOYSA-N 2 2 394.441 3.449 20 0 GGADLP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000163529861 1425012999 /nfs/dbraw/zinc/01/29/99/1425012999.db2.gz ATXNNYBALBFQEW-SFHVURJKSA-N 3 2 397.567 3.150 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCN(c2cccc[nH+]2)C1)c1ccsc1 ZINC000163667748 1425031547 /nfs/dbraw/zinc/03/15/47/1425031547.db2.gz NNNKZRCPVXQLOD-ZWKOTPCHSA-N 2 2 387.553 3.104 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(N2CCOC2=O)c1 ZINC000163684060 1425033034 /nfs/dbraw/zinc/03/30/34/1425033034.db2.gz DHKAJTGBBKPZQP-SFHVURJKSA-N 2 2 395.503 3.326 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000163685438 1425033947 /nfs/dbraw/zinc/03/39/47/1425033947.db2.gz GODBUPQAMZXAOV-HXUWFJFHSA-N 3 2 397.563 3.310 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCOC2=O)cc1 ZINC000163695699 1425035578 /nfs/dbraw/zinc/03/55/78/1425035578.db2.gz DMMWZXXNULSBCF-SFHVURJKSA-N 2 2 395.503 3.326 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000163725645 1425038027 /nfs/dbraw/zinc/03/80/27/1425038027.db2.gz JJPZZYZNUWEMHL-LJQANCHMSA-N 2 2 393.531 3.496 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000163747772 1425040722 /nfs/dbraw/zinc/04/07/22/1425040722.db2.gz FFEBEAGJOXGYSN-IBGZPJMESA-N 2 2 393.531 3.496 20 0 GGADLP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)c1 ZINC000163860486 1425051680 /nfs/dbraw/zinc/05/16/80/1425051680.db2.gz RAWYCEMKNIFWES-HXUWFJFHSA-N 2 2 381.524 3.002 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164107973 1425077272 /nfs/dbraw/zinc/07/72/72/1425077272.db2.gz JJBDFMYCSNGFBM-AEFFLSMTSA-N 2 2 376.545 3.185 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164107973 1425077284 /nfs/dbraw/zinc/07/72/84/1425077284.db2.gz JJBDFMYCSNGFBM-AEFFLSMTSA-N 2 2 376.545 3.185 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164108065 1425078194 /nfs/dbraw/zinc/07/81/94/1425078194.db2.gz JJBDFMYCSNGFBM-WMZOPIPTSA-N 2 2 376.545 3.185 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164108065 1425078199 /nfs/dbraw/zinc/07/81/99/1425078199.db2.gz JJBDFMYCSNGFBM-WMZOPIPTSA-N 2 2 376.545 3.185 20 0 GGADLP COc1cccc2c1OC[C@@H]([NH2+]C1CCN(c3ccc([NH+](C)C)cc3)CC1)C2 ZINC000164550601 1425122822 /nfs/dbraw/zinc/12/28/22/1425122822.db2.gz APYWZIRZBRKRSW-IBGZPJMESA-N 2 2 381.520 3.323 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)[NH+]1CCCCC1 ZINC000164875732 1425148225 /nfs/dbraw/zinc/14/82/25/1425148225.db2.gz RWRZMACMQXPAFQ-GGAORHGYSA-N 2 2 393.531 3.225 20 0 GGADLP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000164866899 1425148402 /nfs/dbraw/zinc/14/84/02/1425148402.db2.gz ITEIAUDJXPTLAK-FQEVSTJZSA-N 2 2 393.597 3.002 20 0 GGADLP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000164866899 1425148408 /nfs/dbraw/zinc/14/84/08/1425148408.db2.gz ITEIAUDJXPTLAK-FQEVSTJZSA-N 2 2 393.597 3.002 20 0 GGADLP CC1(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000165313049 1425175463 /nfs/dbraw/zinc/17/54/63/1425175463.db2.gz PEQLBMXKMURTAU-HXUWFJFHSA-N 2 2 378.520 3.079 20 0 GGADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165541078 1425184469 /nfs/dbraw/zinc/18/44/69/1425184469.db2.gz YOCFKRKGMNMSGJ-RTWAWAEBSA-N 2 2 388.556 3.496 20 0 GGADLP COc1ccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000165541078 1425184478 /nfs/dbraw/zinc/18/44/78/1425184478.db2.gz YOCFKRKGMNMSGJ-RTWAWAEBSA-N 2 2 388.556 3.496 20 0 GGADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165587371 1425186429 /nfs/dbraw/zinc/18/64/29/1425186429.db2.gz FYHOVVDUMSIGBQ-JTDSTZFVSA-N 3 2 398.517 3.276 20 0 GGADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000165587371 1425186441 /nfs/dbraw/zinc/18/64/41/1425186441.db2.gz FYHOVVDUMSIGBQ-JTDSTZFVSA-N 3 2 398.517 3.276 20 0 GGADLP C[C@@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000165597238 1425187705 /nfs/dbraw/zinc/18/77/05/1425187705.db2.gz SHEVDVRMPAJPNZ-CRAIPNDOSA-N 2 2 396.501 3.172 20 0 GGADLP C[C@@H]1C[C@@H](NCc2cc(C(F)(F)F)ccc2N2CC[NH+](C)CC2)C[N@H+]1C1CC1 ZINC000165597238 1425187717 /nfs/dbraw/zinc/18/77/17/1425187717.db2.gz SHEVDVRMPAJPNZ-CRAIPNDOSA-N 2 2 396.501 3.172 20 0 GGADLP CC(C)c1ccc(C[C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000166293142 1425210226 /nfs/dbraw/zinc/21/02/26/1425210226.db2.gz JNKZFRILJAUBMK-LJQANCHMSA-N 2 2 388.600 3.408 20 0 GGADLP CC(C)c1ccc(C[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000166293142 1425210231 /nfs/dbraw/zinc/21/02/31/1425210231.db2.gz JNKZFRILJAUBMK-LJQANCHMSA-N 2 2 388.600 3.408 20 0 GGADLP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+]2C)ccc1OCC(=O)Nc1ccccc1 ZINC000166411324 1425212772 /nfs/dbraw/zinc/21/27/72/1425212772.db2.gz SLGQSIQNDMDXHK-FQEVSTJZSA-N 2 2 397.519 3.287 20 0 GGADLP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+]2C)ccc1OCC(=O)Nc1ccccc1 ZINC000166411324 1425212783 /nfs/dbraw/zinc/21/27/83/1425212783.db2.gz SLGQSIQNDMDXHK-FQEVSTJZSA-N 2 2 397.519 3.287 20 0 GGADLP CSCC[C@H]([NH3+])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000166674126 1425215657 /nfs/dbraw/zinc/21/56/57/1425215657.db2.gz WOGQYSJIOYMOGW-NRFANRHFSA-N 2 2 394.544 3.295 20 0 GGADLP CCC(CC)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167076461 1425221389 /nfs/dbraw/zinc/22/13/89/1425221389.db2.gz GMUMOPIPIBCXEG-PMACEKPBSA-N 2 2 387.634 3.021 20 0 GGADLP CCC(CC)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167076461 1425221398 /nfs/dbraw/zinc/22/13/98/1425221398.db2.gz GMUMOPIPIBCXEG-PMACEKPBSA-N 2 2 387.634 3.021 20 0 GGADLP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000168267104 1425236530 /nfs/dbraw/zinc/23/65/30/1425236530.db2.gz HPNRRWADDUWBQK-CQSZACIVSA-N 2 2 387.446 3.123 20 0 GGADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccc(-c2ccccc2)c1 ZINC000168891881 1425240372 /nfs/dbraw/zinc/24/03/72/1425240372.db2.gz BVOVRUGTCLMANM-OAQYLSRUSA-N 2 2 381.564 3.394 20 0 GGADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cccc(-c2ccccc2)c1 ZINC000168891787 1425240927 /nfs/dbraw/zinc/24/09/27/1425240927.db2.gz BVOVRUGTCLMANM-NRFANRHFSA-N 2 2 381.564 3.394 20 0 GGADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ccc(-c2cccs2)cc1 ZINC000168897711 1425241655 /nfs/dbraw/zinc/24/16/55/1425241655.db2.gz IVZNSHYGQYZOCB-LJQANCHMSA-N 2 2 387.593 3.456 20 0 GGADLP CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170814240 1425351874 /nfs/dbraw/zinc/35/18/74/1425351874.db2.gz RHFYQRKYZCZYPF-GHTZIAJQSA-N 2 2 378.605 3.449 20 0 GGADLP CCC[C@H](Cc1ccccc1)NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000170814277 1425351961 /nfs/dbraw/zinc/35/19/61/1425351961.db2.gz YXKOQAQUBIOLFE-OAQYLSRUSA-N 2 2 386.584 3.256 20 0 GGADLP COCC[N@H+](C)CCNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000171070417 1425467640 /nfs/dbraw/zinc/46/76/40/1425467640.db2.gz SMUGJEBXBSZVDL-UHFFFAOYSA-N 2 2 399.564 3.410 20 0 GGADLP COCC[N@@H+](C)CCNc1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000171070417 1425467644 /nfs/dbraw/zinc/46/76/44/1425467644.db2.gz SMUGJEBXBSZVDL-UHFFFAOYSA-N 2 2 399.564 3.410 20 0 GGADLP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)c2C1 ZINC000171212733 1425542425 /nfs/dbraw/zinc/54/24/25/1425542425.db2.gz MVDLVUYEAJDSJC-UHFFFAOYSA-N 2 2 392.547 3.412 20 0 GGADLP CCC[N@H+]1Cc2cccc(NC(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)c2C1 ZINC000171212733 1425542428 /nfs/dbraw/zinc/54/24/28/1425542428.db2.gz MVDLVUYEAJDSJC-UHFFFAOYSA-N 2 2 392.547 3.412 20 0 GGADLP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1CCC(n2cc[nH+]c2)CC1 ZINC000171356185 1425636302 /nfs/dbraw/zinc/63/63/02/1425636302.db2.gz QEFSCIADGXLUDP-UHFFFAOYSA-N 2 2 381.524 3.142 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCC[NH+](C)C3CCCC3)c2C1 ZINC000171576229 1425743004 /nfs/dbraw/zinc/74/30/04/1425743004.db2.gz BCEJGOPFHQSZQG-UHFFFAOYSA-N 2 2 380.536 3.217 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC[NH+](C)C3CCCC3)c2C1 ZINC000171576229 1425743010 /nfs/dbraw/zinc/74/30/10/1425743010.db2.gz BCEJGOPFHQSZQG-UHFFFAOYSA-N 2 2 380.536 3.217 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCC[N@H+](C)C3CCCC3)c2C1 ZINC000171576229 1425743011 /nfs/dbraw/zinc/74/30/11/1425743011.db2.gz BCEJGOPFHQSZQG-UHFFFAOYSA-N 2 2 380.536 3.217 20 0 GGADLP CC[NH+]1CCc2nc3ccccc3c(C(=O)NCC[N@@H+](C)C3CCCC3)c2C1 ZINC000171576229 1425743014 /nfs/dbraw/zinc/74/30/14/1425743014.db2.gz BCEJGOPFHQSZQG-UHFFFAOYSA-N 2 2 380.536 3.217 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NCc1ccccc1C[NH+]1CCCC1 ZINC000171598482 1425754426 /nfs/dbraw/zinc/75/44/26/1425754426.db2.gz KLLMNXVTKIXUIY-UHFFFAOYSA-N 2 2 381.524 3.369 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1csc2ccccc12 ZINC000171641862 1425769617 /nfs/dbraw/zinc/76/96/17/1425769617.db2.gz RHDXFJLJRYJZHH-UHFFFAOYSA-N 2 2 388.581 3.111 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCCc1csc2ccccc12 ZINC000171641862 1425769622 /nfs/dbraw/zinc/76/96/22/1425769622.db2.gz RHDXFJLJRYJZHH-UHFFFAOYSA-N 2 2 388.581 3.111 20 0 GGADLP COc1ccc2c(c1)CCCN2C(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171650735 1425773576 /nfs/dbraw/zinc/77/35/76/1425773576.db2.gz VUZSXAUGMNHYLM-SFHVURJKSA-N 2 2 394.519 3.112 20 0 GGADLP COc1ccc2c(c1)CCCN2C(=O)C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000171650735 1425773583 /nfs/dbraw/zinc/77/35/83/1425773583.db2.gz VUZSXAUGMNHYLM-SFHVURJKSA-N 2 2 394.519 3.112 20 0 GGADLP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000171702231 1425793619 /nfs/dbraw/zinc/79/36/19/1425793619.db2.gz ASSPIGPBMMQQIZ-FLVSMNSFSA-N 2 2 384.568 3.147 20 0 GGADLP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C1 ZINC000171702231 1425793621 /nfs/dbraw/zinc/79/36/21/1425793621.db2.gz ASSPIGPBMMQQIZ-FLVSMNSFSA-N 2 2 384.568 3.147 20 0 GGADLP CCOCC[NH+]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000171861225 1425837073 /nfs/dbraw/zinc/83/70/73/1425837073.db2.gz HJRTXJQSCSRHAE-UHFFFAOYSA-N 2 2 395.547 3.113 20 0 GGADLP CCOCC[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000171861225 1425837075 /nfs/dbraw/zinc/83/70/75/1425837075.db2.gz HJRTXJQSCSRHAE-UHFFFAOYSA-N 2 2 395.547 3.113 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H](C)[N@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000171880594 1425841629 /nfs/dbraw/zinc/84/16/29/1425841629.db2.gz WWRJIUVQTTYBPH-IBGZPJMESA-N 2 2 380.536 3.243 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@H](C)[N@@H+](C)Cc3ccccc3)CC2)[nH+]c1 ZINC000171880594 1425841631 /nfs/dbraw/zinc/84/16/31/1425841631.db2.gz WWRJIUVQTTYBPH-IBGZPJMESA-N 2 2 380.536 3.243 20 0 GGADLP C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000172201896 1425944660 /nfs/dbraw/zinc/94/46/60/1425944660.db2.gz FWCKHDHIMALBHH-LJQANCHMSA-N 2 2 399.583 3.124 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Nc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000172258132 1425970805 /nfs/dbraw/zinc/97/08/05/1425970805.db2.gz ZPYQROBVIHMUOS-UHFFFAOYSA-N 2 2 386.540 3.156 20 0 GGADLP Cc1cccnc1[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000172349853 1426012217 /nfs/dbraw/zinc/01/22/17/1426012217.db2.gz NYQGZZMQWVERGC-QFIPXVFZSA-N 2 2 396.535 3.148 20 0 GGADLP Cc1cccnc1[C@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000172349852 1426012554 /nfs/dbraw/zinc/01/25/54/1426012554.db2.gz NYQGZZMQWVERGC-JOCHJYFZSA-N 2 2 396.535 3.148 20 0 GGADLP Cc1ccc(NCCCNC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)[nH+]c1 ZINC000172400188 1426026709 /nfs/dbraw/zinc/02/67/09/1426026709.db2.gz WFMILQRLJKLJAL-OALUTQOASA-N 2 2 396.535 3.231 20 0 GGADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000172620749 1426116572 /nfs/dbraw/zinc/11/65/72/1426116572.db2.gz OFIUPUVXUMKIKR-GOSISDBHSA-N 2 2 381.520 3.276 20 0 GGADLP c1ccc(C[NH+]2CCC(CNc3cc(N4CCSCC4)[nH+]cn3)CC2)cc1 ZINC000172711552 1426154759 /nfs/dbraw/zinc/15/47/59/1426154759.db2.gz IRTGAQYPADXCJW-UHFFFAOYSA-N 2 2 383.565 3.354 20 0 GGADLP c1ccc(C[NH+]2CCC(CNc3cc(N4CCSCC4)nc[nH+]3)CC2)cc1 ZINC000172711552 1426154765 /nfs/dbraw/zinc/15/47/65/1426154765.db2.gz IRTGAQYPADXCJW-UHFFFAOYSA-N 2 2 383.565 3.354 20 0 GGADLP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)([NH+]2CCCCC2)CC1 ZINC000172749730 1426172854 /nfs/dbraw/zinc/17/28/54/1426172854.db2.gz WSSIVUILFHSBER-RBUKOAKNSA-N 2 2 391.506 3.135 20 0 GGADLP COc1cccc(Cl)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000172752162 1426173713 /nfs/dbraw/zinc/17/37/13/1426173713.db2.gz RSGJXYSBBSJUCF-UHFFFAOYSA-N 2 2 379.932 3.029 20 0 GGADLP O=C(C[N@@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172852114 1426220793 /nfs/dbraw/zinc/22/07/93/1426220793.db2.gz PUAFGNLVVXIGQS-QFIPXVFZSA-N 2 2 393.531 3.022 20 0 GGADLP O=C(C[N@H+]1CC[C@@H](Cc2ccccc2)C1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000172852114 1426220803 /nfs/dbraw/zinc/22/08/03/1426220803.db2.gz PUAFGNLVVXIGQS-QFIPXVFZSA-N 2 2 393.531 3.022 20 0 GGADLP C[C@@H](CCc1cccc(F)c1)C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000172929701 1426269821 /nfs/dbraw/zinc/26/98/21/1426269821.db2.gz KWHVPBCDZFQYNB-KRWDZBQOSA-N 2 2 375.532 3.069 20 0 GGADLP CCCCN(C)c1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000173108379 1426346107 /nfs/dbraw/zinc/34/61/07/1426346107.db2.gz UZHPDYYQOVAKEZ-UHFFFAOYSA-N 2 2 389.588 3.413 20 0 GGADLP CCCCN(C)c1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000173108379 1426346112 /nfs/dbraw/zinc/34/61/12/1426346112.db2.gz UZHPDYYQOVAKEZ-UHFFFAOYSA-N 2 2 389.588 3.413 20 0 GGADLP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000173111384 1426347830 /nfs/dbraw/zinc/34/78/30/1426347830.db2.gz GMWBLECNQZZJCY-UHFFFAOYSA-N 2 2 382.468 3.069 20 0 GGADLP C[C@@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000173140841 1426361845 /nfs/dbraw/zinc/36/18/45/1426361845.db2.gz IEUFPYJIDPUFJW-LJQANCHMSA-N 2 2 381.524 3.190 20 0 GGADLP C[C@@H]1CCN(C(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000173140841 1426361851 /nfs/dbraw/zinc/36/18/51/1426361851.db2.gz IEUFPYJIDPUFJW-LJQANCHMSA-N 2 2 381.524 3.190 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000173169601 1426375187 /nfs/dbraw/zinc/37/51/87/1426375187.db2.gz VJOLATXESFNFCT-UHFFFAOYSA-N 2 2 397.523 3.364 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000173169601 1426375194 /nfs/dbraw/zinc/37/51/94/1426375194.db2.gz VJOLATXESFNFCT-UHFFFAOYSA-N 2 2 397.523 3.364 20 0 GGADLP Cc1ccc2[nH]cc(CCC(=O)NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2c1 ZINC000173337438 1426518028 /nfs/dbraw/zinc/51/80/28/1426518028.db2.gz ZIJAMHANJGQNEI-UHFFFAOYSA-N 2 2 396.579 3.475 20 0 GGADLP CC(C)=CCOc1cccc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000173348810 1426526659 /nfs/dbraw/zinc/52/66/59/1426526659.db2.gz IWPTUNMHCJMPST-UHFFFAOYSA-N 2 2 385.552 3.320 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCOC2(CCCCC2)C1 ZINC000173584318 1426748800 /nfs/dbraw/zinc/74/88/00/1426748800.db2.gz JFSKIEVKYYROPO-HXUWFJFHSA-N 2 2 399.579 3.191 20 0 GGADLP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCOC2(CCCCC2)C1 ZINC000173584318 1426748812 /nfs/dbraw/zinc/74/88/12/1426748812.db2.gz JFSKIEVKYYROPO-HXUWFJFHSA-N 2 2 399.579 3.191 20 0 GGADLP CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000173600628 1426768324 /nfs/dbraw/zinc/76/83/24/1426768324.db2.gz GSQPKMVDHCZXGG-OAQYLSRUSA-N 2 2 392.563 3.060 20 0 GGADLP CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000173600628 1426768343 /nfs/dbraw/zinc/76/83/43/1426768343.db2.gz GSQPKMVDHCZXGG-OAQYLSRUSA-N 2 2 392.563 3.060 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173643326 1426807907 /nfs/dbraw/zinc/80/79/07/1426807907.db2.gz BLWQDOYZYAEDTB-SJORKVTESA-N 2 2 388.581 3.449 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173643326 1426807911 /nfs/dbraw/zinc/80/79/11/1426807911.db2.gz BLWQDOYZYAEDTB-SJORKVTESA-N 2 2 388.581 3.449 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173643326 1426807915 /nfs/dbraw/zinc/80/79/15/1426807915.db2.gz BLWQDOYZYAEDTB-SJORKVTESA-N 2 2 388.581 3.449 20 0 GGADLP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173643326 1426807917 /nfs/dbraw/zinc/80/79/17/1426807917.db2.gz BLWQDOYZYAEDTB-SJORKVTESA-N 2 2 388.581 3.449 20 0 GGADLP O=C1[C@H]([N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173786352 1426850975 /nfs/dbraw/zinc/85/09/75/1426850975.db2.gz NPLJJBZAFWEAKG-VQIMIIECSA-N 2 2 393.478 3.201 20 0 GGADLP O=C1[C@H]([N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000173786352 1426850976 /nfs/dbraw/zinc/85/09/76/1426850976.db2.gz NPLJJBZAFWEAKG-VQIMIIECSA-N 2 2 393.478 3.201 20 0 GGADLP CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000173861245 1426873778 /nfs/dbraw/zinc/87/37/78/1426873778.db2.gz QTSVMEGWQGYPDG-LJQANCHMSA-N 2 2 387.572 3.204 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000173889923 1426882198 /nfs/dbraw/zinc/88/21/98/1426882198.db2.gz PSVDFLSTRJTVJU-YJBOKZPZSA-N 2 2 389.931 3.163 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000173889923 1426882200 /nfs/dbraw/zinc/88/22/00/1426882200.db2.gz PSVDFLSTRJTVJU-YJBOKZPZSA-N 2 2 389.931 3.163 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000173889915 1426882286 /nfs/dbraw/zinc/88/22/86/1426882286.db2.gz PSVDFLSTRJTVJU-MAUKXSAKSA-N 2 2 389.931 3.163 20 0 GGADLP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000173889915 1426882287 /nfs/dbraw/zinc/88/22/87/1426882287.db2.gz PSVDFLSTRJTVJU-MAUKXSAKSA-N 2 2 389.931 3.163 20 0 GGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000173925675 1426895053 /nfs/dbraw/zinc/89/50/53/1426895053.db2.gz SGLMKQLWUKQWJY-WIYYLYMNSA-N 2 2 396.510 3.343 20 0 GGADLP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](CCC(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000173925675 1426895055 /nfs/dbraw/zinc/89/50/55/1426895055.db2.gz SGLMKQLWUKQWJY-WIYYLYMNSA-N 2 2 396.510 3.343 20 0 GGADLP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173960883 1426910607 /nfs/dbraw/zinc/91/06/07/1426910607.db2.gz ZWQHPSBRJTZOFZ-SFHVURJKSA-N 2 2 384.524 3.298 20 0 GGADLP CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972183 1426917884 /nfs/dbraw/zinc/91/78/84/1426917884.db2.gz CZLQCYIESRAWMS-UHFFFAOYSA-N 2 2 387.915 3.307 20 0 GGADLP CC[N@H+](CC(=O)Nc1ccc(Cl)cn1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000173972183 1426917893 /nfs/dbraw/zinc/91/78/93/1426917893.db2.gz CZLQCYIESRAWMS-UHFFFAOYSA-N 2 2 387.915 3.307 20 0 GGADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973222 1426918107 /nfs/dbraw/zinc/91/81/07/1426918107.db2.gz PFICULWNVAKTTQ-NQIIRXRSSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173973222 1426918109 /nfs/dbraw/zinc/91/81/09/1426918109.db2.gz PFICULWNVAKTTQ-NQIIRXRSSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173973222 1426918114 /nfs/dbraw/zinc/91/81/14/1426918114.db2.gz PFICULWNVAKTTQ-NQIIRXRSSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173973222 1426918120 /nfs/dbraw/zinc/91/81/20/1426918120.db2.gz PFICULWNVAKTTQ-NQIIRXRSSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974082 1426918915 /nfs/dbraw/zinc/91/89/15/1426918915.db2.gz UFWXLPYOUYFHDA-QUCCMNQESA-N 2 2 397.588 3.475 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000173974082 1426918917 /nfs/dbraw/zinc/91/89/17/1426918917.db2.gz UFWXLPYOUYFHDA-QUCCMNQESA-N 2 2 397.588 3.475 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173974082 1426918925 /nfs/dbraw/zinc/91/89/25/1426918925.db2.gz UFWXLPYOUYFHDA-QUCCMNQESA-N 2 2 397.588 3.475 20 0 GGADLP C[C@H](C(=O)N1CCc2sccc2C1)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173974082 1426918930 /nfs/dbraw/zinc/91/89/30/1426918930.db2.gz UFWXLPYOUYFHDA-QUCCMNQESA-N 2 2 397.588 3.475 20 0 GGADLP Cc1ccc(OCCCC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000174151375 1427022801 /nfs/dbraw/zinc/02/28/01/1427022801.db2.gz DQBWPWZSCKLVRI-UHFFFAOYSA-N 2 2 387.568 3.137 20 0 GGADLP CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000174294598 1427088960 /nfs/dbraw/zinc/08/89/60/1427088960.db2.gz ULOHUWZDROXLRX-AWEZNQCLSA-N 2 2 395.569 3.277 20 0 GGADLP COCC[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000174302078 1427092491 /nfs/dbraw/zinc/09/24/91/1427092491.db2.gz SMTCFSBWVGALOA-ZWKOTPCHSA-N 2 2 383.536 3.106 20 0 GGADLP CC(C)C1CCC([NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC000174384485 1427131667 /nfs/dbraw/zinc/13/16/67/1427131667.db2.gz HLJMMWMYTSZBRS-MHJFOBGBSA-N 2 2 387.572 3.086 20 0 GGADLP CC[N@H+](C[C@H](O)COCc1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390455 1427134526 /nfs/dbraw/zinc/13/45/26/1427134526.db2.gz QIZOSBSKRLVRSY-IBGZPJMESA-N 2 2 389.565 3.259 20 0 GGADLP CC[N@@H+](C[C@H](O)COCc1cccs1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174390455 1427134538 /nfs/dbraw/zinc/13/45/38/1427134538.db2.gz QIZOSBSKRLVRSY-IBGZPJMESA-N 2 2 389.565 3.259 20 0 GGADLP CC[N@H+](C[C@@H](O)COc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391428 1427134997 /nfs/dbraw/zinc/13/49/97/1427134997.db2.gz SPXJUNUCLLXZAG-OAQYLSRUSA-N 2 2 383.536 3.368 20 0 GGADLP CC[N@@H+](C[C@@H](O)COc1cccc(C)c1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391428 1427135008 /nfs/dbraw/zinc/13/50/08/1427135008.db2.gz SPXJUNUCLLXZAG-OAQYLSRUSA-N 2 2 383.536 3.368 20 0 GGADLP CC[N@H+](C[C@@H](O)COc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391269 1427135600 /nfs/dbraw/zinc/13/56/00/1427135600.db2.gz XBOWRCGQPYWOTR-HXUWFJFHSA-N 2 2 387.499 3.199 20 0 GGADLP CC[N@@H+](C[C@@H](O)COc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391269 1427135606 /nfs/dbraw/zinc/13/56/06/1427135606.db2.gz XBOWRCGQPYWOTR-HXUWFJFHSA-N 2 2 387.499 3.199 20 0 GGADLP CC[N@H+](C[C@H](O)COc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391251 1427135640 /nfs/dbraw/zinc/13/56/40/1427135640.db2.gz XBOWRCGQPYWOTR-FQEVSTJZSA-N 2 2 387.499 3.199 20 0 GGADLP CC[N@@H+](C[C@H](O)COc1ccc(F)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174391251 1427135643 /nfs/dbraw/zinc/13/56/43/1427135643.db2.gz XBOWRCGQPYWOTR-FQEVSTJZSA-N 2 2 387.499 3.199 20 0 GGADLP CC[N@@H+](CC(=O)N1CCc2ccccc2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395589 1427136625 /nfs/dbraw/zinc/13/66/25/1427136625.db2.gz UVJLZOYZQXLGBS-UHFFFAOYSA-N 2 2 392.547 3.205 20 0 GGADLP CC[N@H+](CC(=O)N1CCc2ccccc2C1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174395589 1427136631 /nfs/dbraw/zinc/13/66/31/1427136631.db2.gz UVJLZOYZQXLGBS-UHFFFAOYSA-N 2 2 392.547 3.205 20 0 GGADLP CC[N@H+](C[C@@H](O)COc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394728 1427136733 /nfs/dbraw/zinc/13/67/33/1427136733.db2.gz NXQCFZTYRQFKEK-OAQYLSRUSA-N 2 2 383.536 3.368 20 0 GGADLP CC[N@@H+](C[C@@H](O)COc1ccccc1C)CC1CCN(c2cccc[nH+]2)CC1 ZINC000174394728 1427136739 /nfs/dbraw/zinc/13/67/39/1427136739.db2.gz NXQCFZTYRQFKEK-OAQYLSRUSA-N 2 2 383.536 3.368 20 0 GGADLP Cc1ccc2[nH]cc(CCC(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)c2c1 ZINC000174404232 1427142260 /nfs/dbraw/zinc/14/22/60/1427142260.db2.gz CEALAHUBLZGCQB-UHFFFAOYSA-N 2 2 382.552 3.084 20 0 GGADLP CN(Cc1ccccc1F)C(=O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403406 1427142651 /nfs/dbraw/zinc/14/26/51/1427142651.db2.gz DKFDXJSOAGJREO-HXUWFJFHSA-N 2 2 383.511 3.238 20 0 GGADLP CN(Cc1ccccc1F)C(=O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403406 1427142659 /nfs/dbraw/zinc/14/26/59/1427142659.db2.gz DKFDXJSOAGJREO-HXUWFJFHSA-N 2 2 383.511 3.238 20 0 GGADLP CN(Cc1ccccc1F)C(=O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403406 1427142662 /nfs/dbraw/zinc/14/26/62/1427142662.db2.gz DKFDXJSOAGJREO-HXUWFJFHSA-N 2 2 383.511 3.238 20 0 GGADLP CN(Cc1ccccc1F)C(=O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403406 1427142665 /nfs/dbraw/zinc/14/26/65/1427142665.db2.gz DKFDXJSOAGJREO-HXUWFJFHSA-N 2 2 383.511 3.238 20 0 GGADLP C[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174654450 1427290744 /nfs/dbraw/zinc/29/07/44/1427290744.db2.gz HUHDAVJFCBNJKT-QFIPXVFZSA-N 2 2 394.519 3.046 20 0 GGADLP C[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000174654450 1427290759 /nfs/dbraw/zinc/29/07/59/1427290759.db2.gz HUHDAVJFCBNJKT-QFIPXVFZSA-N 2 2 394.519 3.046 20 0 GGADLP COc1ccc(OCCC[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000174659122 1427293104 /nfs/dbraw/zinc/29/31/04/1427293104.db2.gz DQMLUVYAYBSMFP-UHFFFAOYSA-N 2 2 383.536 3.498 20 0 GGADLP COc1ccc(OCCC[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)cc1 ZINC000174659122 1427293113 /nfs/dbraw/zinc/29/31/13/1427293113.db2.gz DQMLUVYAYBSMFP-UHFFFAOYSA-N 2 2 383.536 3.498 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000174677474 1427304620 /nfs/dbraw/zinc/30/46/20/1427304620.db2.gz OXBMTPPIIZZOCV-QZTJIDSGSA-N 2 2 393.597 3.309 20 0 GGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727507 1427334113 /nfs/dbraw/zinc/33/41/13/1427334113.db2.gz AUOXVSFLUSHVTR-HNNXBMFYSA-N 2 2 377.920 3.020 20 0 GGADLP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727507 1427334119 /nfs/dbraw/zinc/33/41/19/1427334119.db2.gz AUOXVSFLUSHVTR-HNNXBMFYSA-N 2 2 377.920 3.020 20 0 GGADLP C[NH+](C)CCC1CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000174867838 1427417871 /nfs/dbraw/zinc/41/78/71/1427417871.db2.gz KJRIENLXINVOIU-UHFFFAOYSA-N 2 2 380.598 3.422 20 0 GGADLP CC[NH+](CC)[C@H](C(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1)c1ccccc1 ZINC000175104258 1427548630 /nfs/dbraw/zinc/54/86/30/1427548630.db2.gz LHEPNSMXHUFNON-NRFANRHFSA-N 2 2 382.508 3.208 20 0 GGADLP C[C@H](CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@H+](C)Cc1ccccc1 ZINC000175233884 1427616419 /nfs/dbraw/zinc/61/64/19/1427616419.db2.gz HYGBECLTOZYSKW-LJQANCHMSA-N 2 2 395.551 3.392 20 0 GGADLP C[C@H](CCNC(=O)NCc1cc[nH+]c(N2CCCC2)c1)[N@@H+](C)Cc1ccccc1 ZINC000175233884 1427616427 /nfs/dbraw/zinc/61/64/27/1427616427.db2.gz HYGBECLTOZYSKW-LJQANCHMSA-N 2 2 395.551 3.392 20 0 GGADLP Cc1cnc([C@H](C)[NH2+][C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000175238259 1427619821 /nfs/dbraw/zinc/61/98/21/1427619821.db2.gz PRQFKOAOWFMUBC-SJORKVTESA-N 2 2 386.565 3.271 20 0 GGADLP CC(C)COc1cccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000175252842 1427626390 /nfs/dbraw/zinc/62/63/90/1427626390.db2.gz ATMIGELFNPCKSX-UHFFFAOYSA-N 2 2 376.545 3.211 20 0 GGADLP CC(C)COc1cccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000175252842 1427626393 /nfs/dbraw/zinc/62/63/93/1427626393.db2.gz ATMIGELFNPCKSX-UHFFFAOYSA-N 2 2 376.545 3.211 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)NCCCNc2cccc[nH+]2)CC[N@@H+]1Cc1ccccc1 ZINC000175393301 1427728771 /nfs/dbraw/zinc/72/87/71/1427728771.db2.gz CKHIZAVAZJWEEC-QUCCMNQESA-N 2 2 381.524 3.236 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)NCCCNc2cccc[nH+]2)CC[N@H+]1Cc1ccccc1 ZINC000175393301 1427728774 /nfs/dbraw/zinc/72/87/74/1427728774.db2.gz CKHIZAVAZJWEEC-QUCCMNQESA-N 2 2 381.524 3.236 20 0 GGADLP C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000175409847 1427739106 /nfs/dbraw/zinc/73/91/06/1427739106.db2.gz HKKNECGSWKWVFX-GCJKJVERSA-N 2 2 384.568 3.133 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC(C)(C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000175470349 1427771891 /nfs/dbraw/zinc/77/18/91/1427771891.db2.gz MRAZLXXTRWLQGW-UHFFFAOYSA-N 2 2 394.510 3.058 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000175628994 1427837857 /nfs/dbraw/zinc/83/78/57/1427837857.db2.gz DPNPVSOBEJLXGI-ICSRJNTNSA-N 2 2 381.524 3.283 20 0 GGADLP C[C@H]1C[C@@H](NC(=O)N2CCC(n3cc[nH+]c3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000175628994 1427837863 /nfs/dbraw/zinc/83/78/63/1427837863.db2.gz DPNPVSOBEJLXGI-ICSRJNTNSA-N 2 2 381.524 3.283 20 0 GGADLP C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000175657924 1427846974 /nfs/dbraw/zinc/84/69/74/1427846974.db2.gz OJASCJLAASLOHQ-KKSFZXQISA-N 2 2 390.547 3.117 20 0 GGADLP C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000175657924 1427846976 /nfs/dbraw/zinc/84/69/76/1427846976.db2.gz OJASCJLAASLOHQ-KKSFZXQISA-N 2 2 390.547 3.117 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N(CC[NH+](C)C)Cc3cccs3)CC2)[nH+]c1 ZINC000175665087 1427849752 /nfs/dbraw/zinc/84/97/52/1427849752.db2.gz RYSRRXBWTPVXTE-UHFFFAOYSA-N 2 2 386.565 3.258 20 0 GGADLP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000176016484 1428028875 /nfs/dbraw/zinc/02/88/75/1428028875.db2.gz QSDUIALHMNCNQR-RMKNXTFCSA-N 2 2 396.579 3.434 20 0 GGADLP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2)c1 ZINC000176088832 1428075449 /nfs/dbraw/zinc/07/54/49/1428075449.db2.gz GNHJMHPTANPQOC-QZTJIDSGSA-N 2 2 390.572 3.060 20 0 GGADLP COc1cccc([C@H](C)[NH+]2CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC2)c1 ZINC000176088816 1428075861 /nfs/dbraw/zinc/07/58/61/1428075861.db2.gz GNHJMHPTANPQOC-ZWKOTPCHSA-N 2 2 390.572 3.060 20 0 GGADLP c1ccc([C@@H]([NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C2CC2)cc1 ZINC000180174034 1429780736 /nfs/dbraw/zinc/78/07/36/1429780736.db2.gz HTAKMUACJQBHCF-NFBKMPQASA-N 2 2 393.535 3.023 20 0 GGADLP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180642243 1429950226 /nfs/dbraw/zinc/95/02/26/1429950226.db2.gz ZXMDNUIHTOSDSN-LVCYWYKZSA-N 2 2 388.556 3.100 20 0 GGADLP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180642243 1429950236 /nfs/dbraw/zinc/95/02/36/1429950236.db2.gz ZXMDNUIHTOSDSN-LVCYWYKZSA-N 2 2 388.556 3.100 20 0 GGADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180642243 1429950246 /nfs/dbraw/zinc/95/02/46/1429950246.db2.gz ZXMDNUIHTOSDSN-LVCYWYKZSA-N 2 2 388.556 3.100 20 0 GGADLP CC(C)[C@H]1C[NH+](C)CCN1C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180642243 1429950257 /nfs/dbraw/zinc/95/02/57/1429950257.db2.gz ZXMDNUIHTOSDSN-LVCYWYKZSA-N 2 2 388.556 3.100 20 0 GGADLP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180683241 1429974878 /nfs/dbraw/zinc/97/48/78/1429974878.db2.gz SFHFGAHUTNHKHZ-HDICACEKSA-N 2 2 376.545 3.100 20 0 GGADLP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000180683241 1429974885 /nfs/dbraw/zinc/97/48/85/1429974885.db2.gz SFHFGAHUTNHKHZ-HDICACEKSA-N 2 2 376.545 3.100 20 0 GGADLP CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000180693757 1429981557 /nfs/dbraw/zinc/98/15/57/1429981557.db2.gz FAQXOCTZYOFOCG-SFHVURJKSA-N 2 2 397.519 3.207 20 0 GGADLP O=C(C[N@H+](Cc1ccncc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180761565 1430024386 /nfs/dbraw/zinc/02/43/86/1430024386.db2.gz WMAPHEACNHXICK-UHFFFAOYSA-N 2 2 396.560 3.234 20 0 GGADLP O=C(C[N@@H+](Cc1ccncc1)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000180761565 1430024398 /nfs/dbraw/zinc/02/43/98/1430024398.db2.gz WMAPHEACNHXICK-UHFFFAOYSA-N 2 2 396.560 3.234 20 0 GGADLP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)c1 ZINC000180779770 1430034272 /nfs/dbraw/zinc/03/42/72/1430034272.db2.gz QFWDUTCHAQBKKY-TZIWHRDSSA-N 2 2 395.551 3.250 20 0 GGADLP CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180781205 1430034938 /nfs/dbraw/zinc/03/49/38/1430034938.db2.gz QNKAMZCZEIUQDG-OTWHNJEPSA-N 2 2 375.561 3.086 20 0 GGADLP CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCCCC1 ZINC000180781659 1430035886 /nfs/dbraw/zinc/03/58/86/1430035886.db2.gz NAHXSXXYKIRQIP-VQTJNVASSA-N 2 2 387.572 3.231 20 0 GGADLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)s1 ZINC000180782762 1430036562 /nfs/dbraw/zinc/03/65/62/1430036562.db2.gz MLZQWNMQTQMKDU-SJORKVTESA-N 2 2 387.553 3.003 20 0 GGADLP Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)cc1C ZINC000180782629 1430036945 /nfs/dbraw/zinc/03/69/45/1430036945.db2.gz NVOSQKRUNXDSRP-FPOVZHCZSA-N 2 2 395.551 3.250 20 0 GGADLP C[C@H](c1ccccc1)[C@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000180784518 1430037660 /nfs/dbraw/zinc/03/76/60/1430037660.db2.gz UAYUIONNTSWDAQ-IRFCIJBXSA-N 2 2 395.551 3.064 20 0 GGADLP COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000180916888 1430112367 /nfs/dbraw/zinc/11/23/67/1430112367.db2.gz LQYXVMAHYIRYMU-VGSWGCGISA-N 2 2 390.487 3.333 20 0 GGADLP COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4)cc3)C2=O)cc1 ZINC000180916841 1430112789 /nfs/dbraw/zinc/11/27/89/1430112789.db2.gz LQYXVMAHYIRYMU-HTAPYJJXSA-N 2 2 390.487 3.333 20 0 GGADLP Cc1ccc(-c2nnc([C@H](C)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)o2)cc1C ZINC000180954706 1430133369 /nfs/dbraw/zinc/13/33/69/1430133369.db2.gz QPMPJORTOFEPLU-SFHVURJKSA-N 2 2 385.556 3.372 20 0 GGADLP Cc1ccc(-c2nnc([C@H](C)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)o2)cc1C ZINC000180954706 1430133375 /nfs/dbraw/zinc/13/33/75/1430133375.db2.gz QPMPJORTOFEPLU-SFHVURJKSA-N 2 2 385.556 3.372 20 0 GGADLP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000181105816 1430211855 /nfs/dbraw/zinc/21/18/55/1430211855.db2.gz HOPOEPXWURAMTR-QGZVFWFLSA-N 2 2 384.524 3.155 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccnc(SC(C)(C)C)c3)CC2)CC1 ZINC000181188639 1430242431 /nfs/dbraw/zinc/24/24/31/1430242431.db2.gz TZXNLAXXKSIVAQ-UHFFFAOYSA-N 2 2 390.597 3.261 20 0 GGADLP CCOc1cc(Cl)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000181188841 1430242888 /nfs/dbraw/zinc/24/28/88/1430242888.db2.gz IHGUOTQTCBWPJO-UHFFFAOYSA-N 2 2 379.932 3.027 20 0 GGADLP Cc1cc2ncc([C@H](C)[NH2+]Cc3ccccc3C[NH+]3CCOCC3)c(C)n2n1 ZINC000181189834 1430242915 /nfs/dbraw/zinc/24/29/15/1430242915.db2.gz NVPSVNTUFAMSAV-KRWDZBQOSA-N 2 2 379.508 3.029 20 0 GGADLP CCOc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cn3cccnc3n2)cc1 ZINC000181236599 1430254089 /nfs/dbraw/zinc/25/40/89/1430254089.db2.gz IEIZBABNHYRDHP-UHFFFAOYSA-N 2 2 390.491 3.417 20 0 GGADLP CCOc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cn3cccnc3n2)cc1 ZINC000181236599 1430254091 /nfs/dbraw/zinc/25/40/91/1430254091.db2.gz IEIZBABNHYRDHP-UHFFFAOYSA-N 2 2 390.491 3.417 20 0 GGADLP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000181264814 1430258619 /nfs/dbraw/zinc/25/86/19/1430258619.db2.gz WFHKHXGYBYVXAH-JPYJTQIMSA-N 2 2 399.535 3.368 20 0 GGADLP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000181264814 1430258621 /nfs/dbraw/zinc/25/86/21/1430258621.db2.gz WFHKHXGYBYVXAH-JPYJTQIMSA-N 2 2 399.535 3.368 20 0 GGADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)c1cccnc1 ZINC000181374822 1430284363 /nfs/dbraw/zinc/28/43/63/1430284363.db2.gz PDPRDOAPVMJTIJ-IBGZPJMESA-N 2 2 388.515 3.230 20 0 GGADLP COCCc1nc(C)c([C@H](C)[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000181384191 1430285638 /nfs/dbraw/zinc/28/56/38/1430285638.db2.gz YLSKFGZZSPDQQE-INIZCTEOSA-N 2 2 389.565 3.323 20 0 GGADLP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nnc(C4CC4)n3C3CC3)CC2)C[C@@H](C)O1 ZINC000181415900 1430292877 /nfs/dbraw/zinc/29/28/77/1430292877.db2.gz IMZONLLDHVBRGV-IAGOWNOFSA-N 2 2 387.572 3.202 20 0 GGADLP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CN1c1c(F)cccc1F ZINC000181441559 1430300344 /nfs/dbraw/zinc/30/03/44/1430300344.db2.gz GIQARQSUIVUWJI-SFHVURJKSA-N 2 2 385.458 3.324 20 0 GGADLP C[C@@H]([NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](C)c1ccccc1 ZINC000181524236 1430315110 /nfs/dbraw/zinc/31/51/10/1430315110.db2.gz QEEVCYYOUZDZSB-RTBURBONSA-N 2 2 381.520 3.239 20 0 GGADLP O=C(C[NH2+][C@H](Cc1ccccc1)C1CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000181548560 1430318622 /nfs/dbraw/zinc/31/86/22/1430318622.db2.gz MIOUECQXZRSKAE-HSZRJFAPSA-N 2 2 393.531 3.068 20 0 GGADLP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccncc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000181588904 1430324110 /nfs/dbraw/zinc/32/41/10/1430324110.db2.gz QHRSXUPTWQWSJT-IRXDYDNUSA-N 2 2 387.549 3.361 20 0 GGADLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ncc(Cl)n2C)CC1 ZINC000181627569 1430330113 /nfs/dbraw/zinc/33/01/13/1430330113.db2.gz XJVOJEQEQLSBMP-AWEZNQCLSA-N 2 2 379.911 3.205 20 0 GGADLP C[C@@H]([NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1)c1c(F)cccc1Cl ZINC000181739810 1430350657 /nfs/dbraw/zinc/35/06/57/1430350657.db2.gz OQDYFGZCHNMQFA-OAHLLOKOSA-N 2 2 390.890 3.264 20 0 GGADLP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccccn1 ZINC000181813264 1430365844 /nfs/dbraw/zinc/36/58/44/1430365844.db2.gz PEBQOJKISYZBSU-OXJNMPFZSA-N 2 2 386.927 3.339 20 0 GGADLP CCOC(=O)Nc1ccc2c(C[NH2+]C3CC[NH+](C(C)C)CC3)cc(=O)oc2c1 ZINC000181875362 1430375876 /nfs/dbraw/zinc/37/58/76/1430375876.db2.gz JOVRHUVXVVZJPN-UHFFFAOYSA-N 2 2 387.480 3.324 20 0 GGADLP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2cccc(OCC[NH+]3CCOCC3)c2)cc1 ZINC000182002591 1430394398 /nfs/dbraw/zinc/39/43/98/1430394398.db2.gz SXUCIQKYKZGXIX-SFHVURJKSA-N 2 2 397.519 3.207 20 0 GGADLP C[N@@H+]1CCc2nc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)sc2C1 ZINC000182122850 1430415964 /nfs/dbraw/zinc/41/59/64/1430415964.db2.gz QSCJZRPHYFVQJJ-UHFFFAOYSA-N 2 2 384.549 3.372 20 0 GGADLP C[N@H+]1CCc2nc(NC(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)sc2C1 ZINC000182122850 1430415965 /nfs/dbraw/zinc/41/59/65/1430415965.db2.gz QSCJZRPHYFVQJJ-UHFFFAOYSA-N 2 2 384.549 3.372 20 0 GGADLP C[C@@H](CCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[NH+]1CCCCC1 ZINC000182238138 1430434865 /nfs/dbraw/zinc/43/48/65/1430434865.db2.gz MEWHDFFBTPMBTM-AZUAARDMSA-N 2 2 375.582 3.157 20 0 GGADLP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1 ZINC000182496325 1430477602 /nfs/dbraw/zinc/47/76/02/1430477602.db2.gz NIUIIPKWGKGEBU-NRFANRHFSA-N 2 2 376.447 3.274 20 0 GGADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182561198 1430492445 /nfs/dbraw/zinc/49/24/45/1430492445.db2.gz WHCFKBPNIWUQBY-AEFFLSMTSA-N 2 2 399.514 3.464 20 0 GGADLP C[C@@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182561198 1430492447 /nfs/dbraw/zinc/49/24/47/1430492447.db2.gz WHCFKBPNIWUQBY-AEFFLSMTSA-N 2 2 399.514 3.464 20 0 GGADLP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)CC1 ZINC000182645656 1430509060 /nfs/dbraw/zinc/50/90/60/1430509060.db2.gz LJCUDESBRUPRAE-HXUWFJFHSA-N 2 2 387.572 3.204 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000182713511 1430524715 /nfs/dbraw/zinc/52/47/15/1430524715.db2.gz RTDLSDWTYQOKSI-XWIAVFTESA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000182713511 1430524718 /nfs/dbraw/zinc/52/47/18/1430524718.db2.gz RTDLSDWTYQOKSI-XWIAVFTESA-N 2 2 376.863 3.364 20 0 GGADLP CC(C)OCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000182775887 1430537760 /nfs/dbraw/zinc/53/77/60/1430537760.db2.gz UCAQGKODYVEJJN-SFTDATJTSA-N 2 2 396.620 3.170 20 0 GGADLP CC(C)OCCCCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000182775887 1430537762 /nfs/dbraw/zinc/53/77/62/1430537762.db2.gz UCAQGKODYVEJJN-SFTDATJTSA-N 2 2 396.620 3.170 20 0 GGADLP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000182810141 1430544209 /nfs/dbraw/zinc/54/42/09/1430544209.db2.gz BTTIZFGHFBHVNZ-KRWDZBQOSA-N 2 2 383.517 3.121 20 0 GGADLP C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182872296 1430558568 /nfs/dbraw/zinc/55/85/68/1430558568.db2.gz WQFGYWJNYCEXNG-SFHLNBCPSA-N 2 2 399.583 3.123 20 0 GGADLP C[C@@H](NC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182872296 1430558574 /nfs/dbraw/zinc/55/85/74/1430558574.db2.gz WQFGYWJNYCEXNG-SFHLNBCPSA-N 2 2 399.583 3.123 20 0 GGADLP CO[C@@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000182901727 1430566970 /nfs/dbraw/zinc/56/69/70/1430566970.db2.gz NXUWZYHKHJITIH-FDFHNCONSA-N 2 2 387.568 3.170 20 0 GGADLP CO[C@@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000182901727 1430566976 /nfs/dbraw/zinc/56/69/76/1430566976.db2.gz NXUWZYHKHJITIH-FDFHNCONSA-N 2 2 387.568 3.170 20 0 GGADLP Cc1cc(C)cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000182903754 1430567377 /nfs/dbraw/zinc/56/73/77/1430567377.db2.gz AHMVELWMEUNNDY-IBGZPJMESA-N 2 2 381.520 3.425 20 0 GGADLP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)Nc1cc(Cl)ccc1F ZINC000182959829 1430580877 /nfs/dbraw/zinc/58/08/77/1430580877.db2.gz NHBYKGAWHXTUOY-UHFFFAOYSA-N 2 2 397.922 3.242 20 0 GGADLP c1cc(-c2nc(C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)no2)cs1 ZINC000182962785 1430581618 /nfs/dbraw/zinc/58/16/18/1430581618.db2.gz GILDUADOYUKSMI-UHFFFAOYSA-N 2 2 376.526 3.123 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000182967942 1430582466 /nfs/dbraw/zinc/58/24/66/1430582466.db2.gz QOJQKWOCRXFPJC-GOSISDBHSA-N 2 2 391.531 3.286 20 0 GGADLP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182972712 1430583318 /nfs/dbraw/zinc/58/33/18/1430583318.db2.gz UBCRBOFKHJMMDA-UHFFFAOYSA-N 2 2 393.959 3.411 20 0 GGADLP Cc1ccccc1Cc1noc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000182984524 1430585550 /nfs/dbraw/zinc/58/55/50/1430585550.db2.gz DHXIDRIIBGAMKJ-UHFFFAOYSA-N 2 2 398.551 3.293 20 0 GGADLP CCS[C@H](C)c1noc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000182987896 1430586283 /nfs/dbraw/zinc/58/62/83/1430586283.db2.gz GXJPTBWLVNYFCL-MRXNPFEDSA-N 2 2 382.574 3.208 20 0 GGADLP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000182987947 1430586318 /nfs/dbraw/zinc/58/63/18/1430586318.db2.gz NQYNOIBKVAEOEK-UHFFFAOYSA-N 2 2 387.568 3.375 20 0 GGADLP COc1cccc([C@@H]2[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000183272778 1430666988 /nfs/dbraw/zinc/66/69/88/1430666988.db2.gz FHBFBMBWQLSMOU-LADGPHEKSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@@H]2[C@@H](NC(=O)C[NH+](C)Cc3ccccc3)CC[N@H+]2C2CC2)c1 ZINC000183272778 1430666995 /nfs/dbraw/zinc/66/69/95/1430666995.db2.gz FHBFBMBWQLSMOU-LADGPHEKSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@@H]2[C@@H](NC(=O)C[N@H+](C)Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000183272778 1430667004 /nfs/dbraw/zinc/66/70/04/1430667004.db2.gz FHBFBMBWQLSMOU-LADGPHEKSA-N 2 2 393.531 3.221 20 0 GGADLP COc1cccc([C@@H]2[C@@H](NC(=O)C[N@@H+](C)Cc3ccccc3)CC[NH+]2C2CC2)c1 ZINC000183272778 1430667012 /nfs/dbraw/zinc/66/70/12/1430667012.db2.gz FHBFBMBWQLSMOU-LADGPHEKSA-N 2 2 393.531 3.221 20 0 GGADLP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1 ZINC000183277749 1430668017 /nfs/dbraw/zinc/66/80/17/1430668017.db2.gz KAVCVRGDAAHKAU-KRWDZBQOSA-N 2 2 385.430 3.155 20 0 GGADLP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000183343629 1430683459 /nfs/dbraw/zinc/68/34/59/1430683459.db2.gz ZZWUUAFURHMFLM-QGZVFWFLSA-N 2 2 379.460 3.334 20 0 GGADLP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]Cc1cccc(Cn2cc[nH+]c2)c1 ZINC000183343571 1430683516 /nfs/dbraw/zinc/68/35/16/1430683516.db2.gz HYABSVUTLHJBLC-DEOSSOPVSA-N 2 2 390.531 3.403 20 0 GGADLP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccccc2C)cn1 ZINC000183378541 1430695126 /nfs/dbraw/zinc/69/51/26/1430695126.db2.gz UMVXUSKUSUXPEF-JOCHJYFZSA-N 2 2 391.519 3.047 20 0 GGADLP C[C@@H](CCNC(=O)Nc1ccccc1OCCn1cc[nH+]c1)[NH+]1CCCCC1 ZINC000183673224 1430769231 /nfs/dbraw/zinc/76/92/31/1430769231.db2.gz WACVSQSPMCEVEH-SFHVURJKSA-N 2 2 385.512 3.348 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000183735587 1430783636 /nfs/dbraw/zinc/78/36/36/1430783636.db2.gz RNPIPXAITBCVMI-UWJYYQICSA-N 2 2 380.492 3.038 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(N2CCOC2=O)cc1 ZINC000183735587 1430783645 /nfs/dbraw/zinc/78/36/45/1430783645.db2.gz RNPIPXAITBCVMI-UWJYYQICSA-N 2 2 380.492 3.038 20 0 GGADLP CC(C)c1cnc(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000183739485 1430784366 /nfs/dbraw/zinc/78/43/66/1430784366.db2.gz ZCUBFRRLKAFMJF-SFHVURJKSA-N 2 2 386.565 3.254 20 0 GGADLP CC(C)c1cnc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000183739485 1430784371 /nfs/dbraw/zinc/78/43/71/1430784371.db2.gz ZCUBFRRLKAFMJF-SFHVURJKSA-N 2 2 386.565 3.254 20 0 GGADLP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)ccn1 ZINC000183825453 1430801689 /nfs/dbraw/zinc/80/16/89/1430801689.db2.gz TWVRGPQROOPXIS-QFIPXVFZSA-N 2 2 380.467 3.435 20 0 GGADLP C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000183994387 1430825684 /nfs/dbraw/zinc/82/56/84/1430825684.db2.gz MKAZEOACGUIFKS-INIZCTEOSA-N 2 2 376.570 3.011 20 0 GGADLP C[C@H](C[NH+](C)CC1(C[N@@H+](C)C[C@H](C)c2nccs2)COC1)c1nccs1 ZINC000184022824 1430830575 /nfs/dbraw/zinc/83/05/75/1430830575.db2.gz YFZLXTPWHUGVMN-IYBDPMFKSA-N 2 2 394.610 3.387 20 0 GGADLP C[C@H](C[NH+](C)CC1(C[N@H+](C)C[C@H](C)c2nccs2)COC1)c1nccs1 ZINC000184022824 1430830576 /nfs/dbraw/zinc/83/05/76/1430830576.db2.gz YFZLXTPWHUGVMN-IYBDPMFKSA-N 2 2 394.610 3.387 20 0 GGADLP C[C@H](C[N@@H+](C)CC1(C[NH+](C)C[C@H](C)c2nccs2)COC1)c1nccs1 ZINC000184022824 1430830577 /nfs/dbraw/zinc/83/05/77/1430830577.db2.gz YFZLXTPWHUGVMN-IYBDPMFKSA-N 2 2 394.610 3.387 20 0 GGADLP C[C@H](C[N@H+](C)CC1(C[NH+](C)C[C@H](C)c2nccs2)COC1)c1nccs1 ZINC000184022824 1430830579 /nfs/dbraw/zinc/83/05/79/1430830579.db2.gz YFZLXTPWHUGVMN-IYBDPMFKSA-N 2 2 394.610 3.387 20 0 GGADLP CN(C(=O)Nc1ccncc1F)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000184177495 1430851375 /nfs/dbraw/zinc/85/13/75/1430851375.db2.gz AWKCDCSXJUYORF-MOPGFXCFSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccncc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000184177495 1430851376 /nfs/dbraw/zinc/85/13/76/1430851376.db2.gz AWKCDCSXJUYORF-MOPGFXCFSA-N 2 2 377.508 3.022 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000184603687 1430916401 /nfs/dbraw/zinc/91/64/01/1430916401.db2.gz HHDLXAAYKPJPAI-MOPGFXCFSA-N 2 2 399.560 3.204 20 0 GGADLP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1)c1ccccc1 ZINC000184603687 1430916418 /nfs/dbraw/zinc/91/64/18/1430916418.db2.gz HHDLXAAYKPJPAI-MOPGFXCFSA-N 2 2 399.560 3.204 20 0 GGADLP COc1cc(Cl)cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1O ZINC000184684803 1430942054 /nfs/dbraw/zinc/94/20/54/1430942054.db2.gz LSUVPFDQFLMNBU-HOTGVXAUSA-N 2 2 381.948 3.045 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000184729745 1430956729 /nfs/dbraw/zinc/95/67/29/1430956729.db2.gz KUWOSGQHODGSEX-MRXNPFEDSA-N 2 2 393.491 3.036 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C1 ZINC000184729745 1430956730 /nfs/dbraw/zinc/95/67/30/1430956730.db2.gz KUWOSGQHODGSEX-MRXNPFEDSA-N 2 2 393.491 3.036 20 0 GGADLP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000184740215 1430960228 /nfs/dbraw/zinc/96/02/28/1430960228.db2.gz JMSRTMWNTDRJIV-HZPDHXFCSA-N 2 2 386.927 3.420 20 0 GGADLP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2)CC1 ZINC000184926624 1431023305 /nfs/dbraw/zinc/02/33/05/1431023305.db2.gz PIRKYFDVIRCUEO-NQIIRXRSSA-N 2 2 396.539 3.140 20 0 GGADLP Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)s1 ZINC000184976429 1431034730 /nfs/dbraw/zinc/03/47/30/1431034730.db2.gz PMAWEENBZWXBFT-SFHVURJKSA-N 2 2 386.565 3.145 20 0 GGADLP Cc1cnc([C@H](C)[NH2+]CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)s1 ZINC000184976429 1431034737 /nfs/dbraw/zinc/03/47/37/1431034737.db2.gz PMAWEENBZWXBFT-SFHVURJKSA-N 2 2 386.565 3.145 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000184987110 1431036904 /nfs/dbraw/zinc/03/69/04/1431036904.db2.gz OQBLFSFJQRLPCR-GOSISDBHSA-N 2 2 383.517 3.192 20 0 GGADLP CC[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000185044161 1431047767 /nfs/dbraw/zinc/04/77/67/1431047767.db2.gz KQDYCUJSVDKFKG-HXUWFJFHSA-N 2 2 377.492 3.140 20 0 GGADLP CC[C@@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000185044161 1431047771 /nfs/dbraw/zinc/04/77/71/1431047771.db2.gz KQDYCUJSVDKFKG-HXUWFJFHSA-N 2 2 377.492 3.140 20 0 GGADLP CC[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@@H+]1Cc1ccccc1 ZINC000185044183 1431048165 /nfs/dbraw/zinc/04/81/65/1431048165.db2.gz KQDYCUJSVDKFKG-FQEVSTJZSA-N 2 2 377.492 3.140 20 0 GGADLP CC[C@H]1CN(C(=O)NCc2ccn3cc[nH+]c3c2)CC[N@H+]1Cc1ccccc1 ZINC000185044183 1431048168 /nfs/dbraw/zinc/04/81/68/1431048168.db2.gz KQDYCUJSVDKFKG-FQEVSTJZSA-N 2 2 377.492 3.140 20 0 GGADLP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Br)cc1O ZINC000185353285 1431123899 /nfs/dbraw/zinc/12/38/99/1431123899.db2.gz GQQVCPOFVYUNTR-AWEZNQCLSA-N 2 2 384.362 3.079 20 0 GGADLP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1O ZINC000185353285 1431123901 /nfs/dbraw/zinc/12/39/01/1431123901.db2.gz GQQVCPOFVYUNTR-AWEZNQCLSA-N 2 2 384.362 3.079 20 0 GGADLP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cc(Br)cc(F)c1O ZINC000185414790 1431140011 /nfs/dbraw/zinc/14/00/11/1431140011.db2.gz DTSTUOGSLJTZGG-TZMCWYRMSA-N 2 2 389.309 3.181 20 0 GGADLP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cc(F)c1O ZINC000185414790 1431140012 /nfs/dbraw/zinc/14/00/12/1431140012.db2.gz DTSTUOGSLJTZGG-TZMCWYRMSA-N 2 2 389.309 3.181 20 0 GGADLP C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000185606477 1431182615 /nfs/dbraw/zinc/18/26/15/1431182615.db2.gz RSPJDXSTERHFTH-PGRDOPGGSA-N 2 2 386.584 3.368 20 0 GGADLP C[C@H]1CCCc2ccccc2[C@@H]1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000185606477 1431182617 /nfs/dbraw/zinc/18/26/17/1431182617.db2.gz RSPJDXSTERHFTH-PGRDOPGGSA-N 2 2 386.584 3.368 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000185637837 1431191135 /nfs/dbraw/zinc/19/11/35/1431191135.db2.gz GWAQATZFCOVWAO-FXAWDEMLSA-N 2 2 396.535 3.369 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000185637837 1431191138 /nfs/dbraw/zinc/19/11/38/1431191138.db2.gz GWAQATZFCOVWAO-FXAWDEMLSA-N 2 2 396.535 3.369 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NC3(Cc4ccccc4)CCCC3)CC2)CC1 ZINC000185812754 1431242223 /nfs/dbraw/zinc/24/22/23/1431242223.db2.gz QMLZVGLUYSDCQH-UHFFFAOYSA-N 2 2 398.595 3.400 20 0 GGADLP Cc1ccc(SC[C@@H](C)NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000185937529 1431287242 /nfs/dbraw/zinc/28/72/42/1431287242.db2.gz XPNYLZCKKHILKW-GOSISDBHSA-N 2 2 392.613 3.143 20 0 GGADLP Cc1ccc(SC[C@@H](C)NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1 ZINC000185937529 1431287251 /nfs/dbraw/zinc/28/72/51/1431287251.db2.gz XPNYLZCKKHILKW-GOSISDBHSA-N 2 2 392.613 3.143 20 0 GGADLP CCOc1ccc(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c2ncccc12 ZINC000186036676 1431316549 /nfs/dbraw/zinc/31/65/49/1431316549.db2.gz IMYMXEXSMPOBBG-UHFFFAOYSA-N 2 2 399.539 3.123 20 0 GGADLP CCOc1ccc(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c2ncccc12 ZINC000186036676 1431316553 /nfs/dbraw/zinc/31/65/53/1431316553.db2.gz IMYMXEXSMPOBBG-UHFFFAOYSA-N 2 2 399.539 3.123 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000186271821 1431368065 /nfs/dbraw/zinc/36/80/65/1431368065.db2.gz PRZAGCFISWAJDD-COPCDDAFSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C[C@@H]1n1cc[nH+]c1 ZINC000186271821 1431368069 /nfs/dbraw/zinc/36/80/69/1431368069.db2.gz PRZAGCFISWAJDD-COPCDDAFSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186316516 1431380590 /nfs/dbraw/zinc/38/05/90/1431380590.db2.gz GHUWVFRPHOFVCN-KDURUIRLSA-N 2 2 387.568 3.322 20 0 GGADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186316516 1431380593 /nfs/dbraw/zinc/38/05/93/1431380593.db2.gz GHUWVFRPHOFVCN-KDURUIRLSA-N 2 2 387.568 3.322 20 0 GGADLP O=C(CC[NH2+]CC1CCC(C(F)(F)F)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000186612017 1431468971 /nfs/dbraw/zinc/46/89/71/1431468971.db2.gz BNZALAFVHURDKI-UHFFFAOYSA-N 2 2 398.473 3.079 20 0 GGADLP C[C@H](C(=O)N1CCN(c2cccc[nH+]2)CC1)[NH+]1CCC(c2ccsc2)CC1 ZINC000186947076 1431574145 /nfs/dbraw/zinc/57/41/45/1431574145.db2.gz XJFIZDITILHQDI-QGZVFWFLSA-N 2 2 384.549 3.060 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000187009588 1431588323 /nfs/dbraw/zinc/58/83/23/1431588323.db2.gz KMBAVJOFTPRUBX-PBHICJAKSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2F)[C@H](C)C1 ZINC000187009588 1431588327 /nfs/dbraw/zinc/58/83/27/1431588327.db2.gz KMBAVJOFTPRUBX-PBHICJAKSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OCC)[C@H](C)C1 ZINC000187010462 1431588754 /nfs/dbraw/zinc/58/87/54/1431588754.db2.gz SYARHJHZRFIDPB-QYZOEREBSA-N 2 2 391.556 3.139 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2OCC)[C@H](C)C1 ZINC000187010462 1431588756 /nfs/dbraw/zinc/58/87/56/1431588756.db2.gz SYARHJHZRFIDPB-QYZOEREBSA-N 2 2 391.556 3.139 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc3c2N=S=N3)[C@H](C)C1 ZINC000187011259 1431588805 /nfs/dbraw/zinc/58/88/05/1431588805.db2.gz HLCZRKSNUOTFFX-CABCVRRESA-N 2 2 391.541 3.078 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cccc3c2N=S=N3)[C@H](C)C1 ZINC000187011259 1431588807 /nfs/dbraw/zinc/58/88/07/1431588807.db2.gz HLCZRKSNUOTFFX-CABCVRRESA-N 2 2 391.541 3.078 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)[C@H](C)C1 ZINC000187012709 1431589232 /nfs/dbraw/zinc/58/92/32/1431589232.db2.gz HJLQXRHYLLTTDH-RVKKMQEKSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C(=O)Nc2cc(F)ccc2F)[C@H](C)C1 ZINC000187012709 1431589238 /nfs/dbraw/zinc/58/92/38/1431589238.db2.gz HJLQXRHYLLTTDH-RVKKMQEKSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000187019903 1431591631 /nfs/dbraw/zinc/59/16/31/1431591631.db2.gz BGCCWYWKVMBIKM-AEFFLSMTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2C)[C@H](C)C1 ZINC000187019903 1431591637 /nfs/dbraw/zinc/59/16/37/1431591637.db2.gz BGCCWYWKVMBIKM-AEFFLSMTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000187022480 1431592014 /nfs/dbraw/zinc/59/20/14/1431592014.db2.gz GTNXONPSPNRCAH-VKJFTORMSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccc(F)cc2F)[C@H](C)C1 ZINC000187022480 1431592017 /nfs/dbraw/zinc/59/20/17/1431592017.db2.gz GTNXONPSPNRCAH-VKJFTORMSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000187022285 1431592129 /nfs/dbraw/zinc/59/21/29/1431592129.db2.gz ZHZLSDYIENFXHR-WBVHZDCISA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000187022285 1431592138 /nfs/dbraw/zinc/59/21/38/1431592138.db2.gz ZHZLSDYIENFXHR-WBVHZDCISA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000187025178 1431593795 /nfs/dbraw/zinc/59/37/95/1431593795.db2.gz REXSZMOCGUZCIR-RDTXWAMCSA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(F)c(Cl)c2)[C@H](C)C1 ZINC000187025178 1431593798 /nfs/dbraw/zinc/59/37/98/1431593798.db2.gz REXSZMOCGUZCIR-RDTXWAMCSA-N 2 2 385.911 3.144 20 0 GGADLP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000187104644 1431616536 /nfs/dbraw/zinc/61/65/36/1431616536.db2.gz DMIOBUPYBWIXOR-GOSISDBHSA-N 2 2 385.512 3.348 20 0 GGADLP COC(=O)c1ccccc1CC[N@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000187134077 1431626760 /nfs/dbraw/zinc/62/67/60/1431626760.db2.gz BTYIQPPVKFTJPG-UHFFFAOYSA-N 2 2 381.520 3.050 20 0 GGADLP COC(=O)c1ccccc1CC[N@@H+](C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000187134077 1431626774 /nfs/dbraw/zinc/62/67/74/1431626774.db2.gz BTYIQPPVKFTJPG-UHFFFAOYSA-N 2 2 381.520 3.050 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N[C@@H](C)[C@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000187228962 1431657120 /nfs/dbraw/zinc/65/71/20/1431657120.db2.gz AHNGIAVUNQGYHG-PGRDOPGGSA-N 2 2 380.536 3.414 20 0 GGADLP CCOC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000187380249 1431714281 /nfs/dbraw/zinc/71/42/81/1431714281.db2.gz FTVHUQWDIRMBOF-OAQYLSRUSA-N 2 2 399.535 3.267 20 0 GGADLP Cc1cc(/C=C/C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1OC(C)C ZINC000187614113 1431779282 /nfs/dbraw/zinc/77/92/82/1431779282.db2.gz XQFZUZRSVNTVEG-SOFGYWHQSA-N 2 2 399.579 3.470 20 0 GGADLP Fc1ccc([C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c2ncc[nH]2)cc1 ZINC000187702577 1431801822 /nfs/dbraw/zinc/80/18/22/1431801822.db2.gz KANWIJJTOSANJN-QFIPXVFZSA-N 2 2 393.510 3.046 20 0 GGADLP CC[C@@H]([NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1cccc(F)c1 ZINC000188192843 1431858829 /nfs/dbraw/zinc/85/88/29/1431858829.db2.gz JHGQJUCRCNZRAZ-VQTJNVASSA-N 2 2 399.514 3.162 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000188708887 1431941117 /nfs/dbraw/zinc/94/11/17/1431941117.db2.gz NPYIVIXEWGZXDG-KIFXHHALSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000188708887 1431941127 /nfs/dbraw/zinc/94/11/27/1431941127.db2.gz NPYIVIXEWGZXDG-KIFXHHALSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000188708887 1431941134 /nfs/dbraw/zinc/94/11/34/1431941134.db2.gz NPYIVIXEWGZXDG-KIFXHHALSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000188708887 1431941143 /nfs/dbraw/zinc/94/11/43/1431941143.db2.gz NPYIVIXEWGZXDG-KIFXHHALSA-N 2 2 381.564 3.374 20 0 GGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000188906840 1432006267 /nfs/dbraw/zinc/00/62/67/1432006267.db2.gz ULIOHOGOKYBUQI-UHFFFAOYSA-N 2 2 394.441 3.484 20 0 GGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2c[nH]c[nH+]2)CC1 ZINC000188906840 1432006273 /nfs/dbraw/zinc/00/62/73/1432006273.db2.gz ULIOHOGOKYBUQI-UHFFFAOYSA-N 2 2 394.441 3.484 20 0 GGADLP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000188906840 1432006279 /nfs/dbraw/zinc/00/62/79/1432006279.db2.gz ULIOHOGOKYBUQI-UHFFFAOYSA-N 2 2 394.441 3.484 20 0 GGADLP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)CCc2c[nH+]c[nH]2)CC1 ZINC000188906840 1432006282 /nfs/dbraw/zinc/00/62/82/1432006282.db2.gz ULIOHOGOKYBUQI-UHFFFAOYSA-N 2 2 394.441 3.484 20 0 GGADLP Fc1ccc(Cn2cc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cn2)cc1 ZINC000189004475 1432025275 /nfs/dbraw/zinc/02/52/75/1432025275.db2.gz UMLGTNSONOZQAG-UHFFFAOYSA-N 2 2 394.494 3.193 20 0 GGADLP O=C(CCc1c[nH]c[nH+]1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000189176485 1432058456 /nfs/dbraw/zinc/05/84/56/1432058456.db2.gz YEWNJJWBFSSDBH-KRWDZBQOSA-N 2 2 394.441 3.255 20 0 GGADLP O=C(CCc1c[nH]c[nH+]1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000189176485 1432058460 /nfs/dbraw/zinc/05/84/60/1432058460.db2.gz YEWNJJWBFSSDBH-KRWDZBQOSA-N 2 2 394.441 3.255 20 0 GGADLP O=C(CCc1c[nH+]c[nH]1)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000189176485 1432058467 /nfs/dbraw/zinc/05/84/67/1432058467.db2.gz YEWNJJWBFSSDBH-KRWDZBQOSA-N 2 2 394.441 3.255 20 0 GGADLP O=C(CCc1c[nH+]c[nH]1)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000189176485 1432058473 /nfs/dbraw/zinc/05/84/73/1432058473.db2.gz YEWNJJWBFSSDBH-KRWDZBQOSA-N 2 2 394.441 3.255 20 0 GGADLP Fc1ccccc1-c1noc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000189178582 1432058675 /nfs/dbraw/zinc/05/86/75/1432058675.db2.gz FXWCLRNXXOZBHF-UHFFFAOYSA-N 2 2 388.487 3.200 20 0 GGADLP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]c3c(OC)cccc23)CC1 ZINC000189187739 1432060663 /nfs/dbraw/zinc/06/06/63/1432060663.db2.gz DGCWXNAILPPXNP-UHFFFAOYSA-N 2 2 398.551 3.308 20 0 GGADLP CC1CC[NH+](Cc2csc(NC(=O)C[NH2+][C@H]3CC(C)(C)OC3(C)C)n2)CC1 ZINC000189225394 1432066379 /nfs/dbraw/zinc/06/63/79/1432066379.db2.gz BHQOXRDSRNORAE-INIZCTEOSA-N 2 2 394.585 3.249 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[C@@H](Cc4ccccc4)C3)CC2)CC1 ZINC000189781638 1432233550 /nfs/dbraw/zinc/23/35/50/1432233550.db2.gz JLHHGRPGTXBNQT-UNMCSNQZSA-N 2 2 398.595 3.256 20 0 GGADLP C[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000189878344 1432260373 /nfs/dbraw/zinc/26/03/73/1432260373.db2.gz KTCZOPBXSONDGK-SFHVURJKSA-N 2 2 390.576 3.064 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000190004371 1432302857 /nfs/dbraw/zinc/30/28/57/1432302857.db2.gz NNBUOILNTTVQOD-BEFAXECRSA-N 2 2 382.932 3.353 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)ccc2Cl)[C@H](C)C1 ZINC000190004371 1432302862 /nfs/dbraw/zinc/30/28/62/1432302862.db2.gz NNBUOILNTTVQOD-BEFAXECRSA-N 2 2 382.932 3.353 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000190007641 1432303814 /nfs/dbraw/zinc/30/38/14/1432303814.db2.gz ZASQZDYMTUERMW-UWVAXJGDSA-N 2 2 393.597 3.462 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(SC)c2)[C@H](C)C1 ZINC000190007641 1432303819 /nfs/dbraw/zinc/30/38/19/1432303819.db2.gz ZASQZDYMTUERMW-UWVAXJGDSA-N 2 2 393.597 3.462 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000190311881 1432357913 /nfs/dbraw/zinc/35/79/13/1432357913.db2.gz VRYORZDUFUVLOA-QFIPXVFZSA-N 2 2 380.492 3.047 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)o1 ZINC000190311881 1432357919 /nfs/dbraw/zinc/35/79/19/1432357919.db2.gz VRYORZDUFUVLOA-QFIPXVFZSA-N 2 2 380.492 3.047 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)o1 ZINC000190311881 1432357923 /nfs/dbraw/zinc/35/79/23/1432357923.db2.gz VRYORZDUFUVLOA-QFIPXVFZSA-N 2 2 380.492 3.047 20 0 GGADLP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000190311881 1432357926 /nfs/dbraw/zinc/35/79/26/1432357926.db2.gz VRYORZDUFUVLOA-QFIPXVFZSA-N 2 2 380.492 3.047 20 0 GGADLP Cc1[nH+]cc(CN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000190312139 1432358010 /nfs/dbraw/zinc/35/80/10/1432358010.db2.gz WGTOBHJENDJFDH-DEOSSOPVSA-N 2 2 390.531 3.250 20 0 GGADLP Cc1[nH+]cc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1-c1ccccc1 ZINC000190312139 1432358014 /nfs/dbraw/zinc/35/80/14/1432358014.db2.gz WGTOBHJENDJFDH-DEOSSOPVSA-N 2 2 390.531 3.250 20 0 GGADLP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190312941 1432358470 /nfs/dbraw/zinc/35/84/70/1432358470.db2.gz XREPKGKBDJAMBU-QHCPKHFHSA-N 2 2 394.494 3.285 20 0 GGADLP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190312941 1432358478 /nfs/dbraw/zinc/35/84/78/1432358478.db2.gz XREPKGKBDJAMBU-QHCPKHFHSA-N 2 2 394.494 3.285 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190312941 1432358484 /nfs/dbraw/zinc/35/84/84/1432358484.db2.gz XREPKGKBDJAMBU-QHCPKHFHSA-N 2 2 394.494 3.285 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190312941 1432358490 /nfs/dbraw/zinc/35/84/90/1432358490.db2.gz XREPKGKBDJAMBU-QHCPKHFHSA-N 2 2 394.494 3.285 20 0 GGADLP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190314961 1432359299 /nfs/dbraw/zinc/35/92/99/1432359299.db2.gz TVGXOGZHQCPQFY-HSZRJFAPSA-N 2 2 376.504 3.146 20 0 GGADLP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190314961 1432359303 /nfs/dbraw/zinc/35/93/03/1432359303.db2.gz TVGXOGZHQCPQFY-HSZRJFAPSA-N 2 2 376.504 3.146 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190314961 1432359306 /nfs/dbraw/zinc/35/93/06/1432359306.db2.gz TVGXOGZHQCPQFY-HSZRJFAPSA-N 2 2 376.504 3.146 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190314961 1432359310 /nfs/dbraw/zinc/35/93/10/1432359310.db2.gz TVGXOGZHQCPQFY-HSZRJFAPSA-N 2 2 376.504 3.146 20 0 GGADLP CCOc1cc(C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000190316146 1432359536 /nfs/dbraw/zinc/35/95/36/1432359536.db2.gz HQAFPLDBRFRHSG-HSZRJFAPSA-N 2 2 384.520 3.163 20 0 GGADLP CCOc1cc(C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)ccc1OC ZINC000190316146 1432359539 /nfs/dbraw/zinc/35/95/39/1432359539.db2.gz HQAFPLDBRFRHSG-HSZRJFAPSA-N 2 2 384.520 3.163 20 0 GGADLP CCOc1cc(C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1OC ZINC000190316146 1432359544 /nfs/dbraw/zinc/35/95/44/1432359544.db2.gz HQAFPLDBRFRHSG-HSZRJFAPSA-N 2 2 384.520 3.163 20 0 GGADLP CCOc1cc(C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1OC ZINC000190316146 1432359548 /nfs/dbraw/zinc/35/95/48/1432359548.db2.gz HQAFPLDBRFRHSG-HSZRJFAPSA-N 2 2 384.520 3.163 20 0 GGADLP Cn1cc(C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000190317857 1432360263 /nfs/dbraw/zinc/36/02/63/1432360263.db2.gz DASFMXQVBIOXNC-DEOSSOPVSA-N 2 2 390.531 3.156 20 0 GGADLP Cn1cc(C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000190317857 1432360265 /nfs/dbraw/zinc/36/02/65/1432360265.db2.gz DASFMXQVBIOXNC-DEOSSOPVSA-N 2 2 390.531 3.156 20 0 GGADLP Cn1cc(C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000190317857 1432360268 /nfs/dbraw/zinc/36/02/68/1432360268.db2.gz DASFMXQVBIOXNC-DEOSSOPVSA-N 2 2 390.531 3.156 20 0 GGADLP Cn1cc(C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000190317857 1432360270 /nfs/dbraw/zinc/36/02/70/1432360270.db2.gz DASFMXQVBIOXNC-DEOSSOPVSA-N 2 2 390.531 3.156 20 0 GGADLP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190320064 1432360641 /nfs/dbraw/zinc/36/06/41/1432360641.db2.gz IKWIAJVUPCCNLG-QHCPKHFHSA-N 2 2 394.494 3.285 20 0 GGADLP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190320064 1432360646 /nfs/dbraw/zinc/36/06/46/1432360646.db2.gz IKWIAJVUPCCNLG-QHCPKHFHSA-N 2 2 394.494 3.285 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190320064 1432360652 /nfs/dbraw/zinc/36/06/52/1432360652.db2.gz IKWIAJVUPCCNLG-QHCPKHFHSA-N 2 2 394.494 3.285 20 0 GGADLP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190320064 1432360657 /nfs/dbraw/zinc/36/06/57/1432360657.db2.gz IKWIAJVUPCCNLG-QHCPKHFHSA-N 2 2 394.494 3.285 20 0 GGADLP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190322310 1432361474 /nfs/dbraw/zinc/36/14/74/1432361474.db2.gz HCOGRBXSJRHQPP-DEOSSOPVSA-N 2 2 390.531 3.454 20 0 GGADLP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000190322310 1432361479 /nfs/dbraw/zinc/36/14/79/1432361479.db2.gz HCOGRBXSJRHQPP-DEOSSOPVSA-N 2 2 390.531 3.454 20 0 GGADLP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000190322310 1432361484 /nfs/dbraw/zinc/36/14/84/1432361484.db2.gz HCOGRBXSJRHQPP-DEOSSOPVSA-N 2 2 390.531 3.454 20 0 GGADLP Cc1cccc(-c2n[nH]cc2C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000190322310 1432361489 /nfs/dbraw/zinc/36/14/89/1432361489.db2.gz HCOGRBXSJRHQPP-DEOSSOPVSA-N 2 2 390.531 3.454 20 0 GGADLP CC(C)c1cccc2c1CCN(C(=O)NC1CC[NH+](C3CC[NH+](C)CC3)CC1)C2 ZINC000190438800 1432382246 /nfs/dbraw/zinc/38/22/46/1432382246.db2.gz WDPDOVKPFAWFEM-UHFFFAOYSA-N 2 2 398.595 3.436 20 0 GGADLP O=C1[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)CCCN1Cc1ccc(F)cc1F ZINC000190473642 1432388492 /nfs/dbraw/zinc/38/84/92/1432388492.db2.gz GNMQPPLGFHAUQH-OAQYLSRUSA-N 2 2 396.441 3.431 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000190654148 1432432202 /nfs/dbraw/zinc/43/22/02/1432432202.db2.gz MZCDMOIAPZNHEQ-PZJWPPBQSA-N 2 2 397.567 3.388 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000190654148 1432432214 /nfs/dbraw/zinc/43/22/14/1432432214.db2.gz MZCDMOIAPZNHEQ-PZJWPPBQSA-N 2 2 397.567 3.388 20 0 GGADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190778297 1432476018 /nfs/dbraw/zinc/47/60/18/1432476018.db2.gz BWGNXYFFFMDILF-UHFFFAOYSA-N 2 2 389.547 3.300 20 0 GGADLP CC(C)[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000191132077 1432574072 /nfs/dbraw/zinc/57/40/72/1432574072.db2.gz YKQSSLSMHPBDKI-OAQYLSRUSA-N 2 2 388.600 3.169 20 0 GGADLP CC(C)[C@@H](CNC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000191132077 1432574081 /nfs/dbraw/zinc/57/40/81/1432574081.db2.gz YKQSSLSMHPBDKI-OAQYLSRUSA-N 2 2 388.600 3.169 20 0 GGADLP C[C@@H]1COCC[N@@H+]1CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000191393351 1432650993 /nfs/dbraw/zinc/65/09/93/1432650993.db2.gz INFUWVANKPZVOF-OAQYLSRUSA-N 2 2 379.548 3.114 20 0 GGADLP C[C@@H]1COCC[N@H+]1CCN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000191393351 1432650995 /nfs/dbraw/zinc/65/09/95/1432650995.db2.gz INFUWVANKPZVOF-OAQYLSRUSA-N 2 2 379.548 3.114 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000191479253 1432668756 /nfs/dbraw/zinc/66/87/56/1432668756.db2.gz ZIDFXXASEWKXBC-UHFFFAOYSA-N 2 2 378.904 3.458 20 0 GGADLP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC ZINC000191479253 1432668758 /nfs/dbraw/zinc/66/87/58/1432668758.db2.gz ZIDFXXASEWKXBC-UHFFFAOYSA-N 2 2 378.904 3.458 20 0 GGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc3ccccc3C1)CCS2 ZINC000191494004 1432671725 /nfs/dbraw/zinc/67/17/25/1432671725.db2.gz MOTDZMMNCPHGCI-WIYYLYMNSA-N 2 2 384.545 3.241 20 0 GGADLP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc3ccccc3C1)CCS2 ZINC000191494004 1432671730 /nfs/dbraw/zinc/67/17/30/1432671730.db2.gz MOTDZMMNCPHGCI-WIYYLYMNSA-N 2 2 384.545 3.241 20 0 GGADLP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191519595 1432677696 /nfs/dbraw/zinc/67/76/96/1432677696.db2.gz JRBDVTNNQQTAKT-UHFFFAOYSA-N 3 2 387.616 3.036 20 0 GGADLP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000191519595 1432677699 /nfs/dbraw/zinc/67/76/99/1432677699.db2.gz JRBDVTNNQQTAKT-UHFFFAOYSA-N 3 2 387.616 3.036 20 0 GGADLP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191580705 1432686984 /nfs/dbraw/zinc/68/69/84/1432686984.db2.gz OFRGRCMDCAWBAY-QFIPXVFZSA-N 2 2 376.504 3.119 20 0 GGADLP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1nccn1-c1ccccc1 ZINC000191580705 1432686987 /nfs/dbraw/zinc/68/69/87/1432686987.db2.gz OFRGRCMDCAWBAY-QFIPXVFZSA-N 2 2 376.504 3.119 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191836826 1432736590 /nfs/dbraw/zinc/73/65/90/1432736590.db2.gz WTVPHPMYDFJALP-XMSQKQJNSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191836826 1432736593 /nfs/dbraw/zinc/73/65/93/1432736593.db2.gz WTVPHPMYDFJALP-XMSQKQJNSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191836837 1432736728 /nfs/dbraw/zinc/73/67/28/1432736728.db2.gz WTVPHPMYDFJALP-AVRDEDQJSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191836837 1432736733 /nfs/dbraw/zinc/73/67/33/1432736733.db2.gz WTVPHPMYDFJALP-AVRDEDQJSA-N 2 2 399.510 3.424 20 0 GGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191836957 1432736831 /nfs/dbraw/zinc/73/68/31/1432736831.db2.gz MFGFWWBXINRSLF-OFNKIYASSA-N 2 2 395.547 3.309 20 0 GGADLP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191836957 1432736835 /nfs/dbraw/zinc/73/68/35/1432736835.db2.gz MFGFWWBXINRSLF-OFNKIYASSA-N 2 2 395.547 3.309 20 0 GGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000191836944 1432736859 /nfs/dbraw/zinc/73/68/59/1432736859.db2.gz MFGFWWBXINRSLF-REWPJTCUSA-N 2 2 395.547 3.309 20 0 GGADLP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000191836944 1432736864 /nfs/dbraw/zinc/73/68/64/1432736864.db2.gz MFGFWWBXINRSLF-REWPJTCUSA-N 2 2 395.547 3.309 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000191840335 1432737319 /nfs/dbraw/zinc/73/73/19/1432737319.db2.gz ZTJNVNIYAMJYQO-WIYYLYMNSA-N 2 2 382.504 3.400 20 0 GGADLP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc2c(c1)OCCO2 ZINC000191840335 1432737327 /nfs/dbraw/zinc/73/73/27/1432737327.db2.gz ZTJNVNIYAMJYQO-WIYYLYMNSA-N 2 2 382.504 3.400 20 0 GGADLP CC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2)cc1C)c1cccc(S(N)(=O)=O)c1 ZINC000192156617 1432809302 /nfs/dbraw/zinc/80/93/02/1432809302.db2.gz DKUDLCUNYGNYAH-HXUWFJFHSA-N 2 2 384.505 3.069 20 0 GGADLP OC[C@H]1CCCCN1c1cc(NCC2CC[NH+](Cc3ccccc3)CC2)nc[nH+]1 ZINC000192285608 1432827483 /nfs/dbraw/zinc/82/74/83/1432827483.db2.gz XGBQSWYURXCZQT-OAQYLSRUSA-N 2 2 395.551 3.152 20 0 GGADLP OC[C@H]1CCCCN1c1cc(NCC2CC[NH+](Cc3ccccc3)CC2)[nH+]cn1 ZINC000192285608 1432827485 /nfs/dbraw/zinc/82/74/85/1432827485.db2.gz XGBQSWYURXCZQT-OAQYLSRUSA-N 2 2 395.551 3.152 20 0 GGADLP c1cnn(-c2ccc(C[NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)cc2)c1 ZINC000192354603 1432835853 /nfs/dbraw/zinc/83/58/53/1432835853.db2.gz AQMJGEZQAWNLPW-HSZRJFAPSA-N 2 2 376.504 3.253 20 0 GGADLP c1cnn(-c2ccc(C[NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)cc2)c1 ZINC000192354603 1432835854 /nfs/dbraw/zinc/83/58/54/1432835854.db2.gz AQMJGEZQAWNLPW-HSZRJFAPSA-N 2 2 376.504 3.253 20 0 GGADLP CCOc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000192357916 1432836202 /nfs/dbraw/zinc/83/62/02/1432836202.db2.gz XIATXYZBEOUJKS-NRFANRHFSA-N 2 2 384.520 3.475 20 0 GGADLP CCOc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000192357916 1432836203 /nfs/dbraw/zinc/83/62/03/1432836203.db2.gz XIATXYZBEOUJKS-NRFANRHFSA-N 2 2 384.520 3.475 20 0 GGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000192356689 1432836246 /nfs/dbraw/zinc/83/62/46/1432836246.db2.gz CXTSIIVLGFIOBW-JOCHJYFZSA-N 2 2 376.504 3.457 20 0 GGADLP c1[nH]nc(-c2ccccc2)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000192356689 1432836248 /nfs/dbraw/zinc/83/62/48/1432836248.db2.gz CXTSIIVLGFIOBW-JOCHJYFZSA-N 2 2 376.504 3.457 20 0 GGADLP C[C@@H]1COCC[C@@H]1[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000192469110 1432848378 /nfs/dbraw/zinc/84/83/78/1432848378.db2.gz MMMFFEPYYJTUMM-APWZRJJASA-N 2 2 385.474 3.232 20 0 GGADLP C[C@@H]1COCC[C@H]1[NH2+]CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000192469133 1432848532 /nfs/dbraw/zinc/84/85/32/1432848532.db2.gz MMMFFEPYYJTUMM-VQIMIIECSA-N 2 2 385.474 3.232 20 0 GGADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000192703611 1432877436 /nfs/dbraw/zinc/87/74/36/1432877436.db2.gz UBHIKGXSXPWKJI-HXUWFJFHSA-N 2 2 383.492 3.108 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+]3CCCCC3)c2C1 ZINC000192737063 1432882379 /nfs/dbraw/zinc/88/23/79/1432882379.db2.gz YAPQOOUQNMZFCZ-UHFFFAOYSA-N 2 2 380.536 3.219 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCC[NH+]3CCCCC3)c2C1 ZINC000192737063 1432882381 /nfs/dbraw/zinc/88/23/81/1432882381.db2.gz YAPQOOUQNMZFCZ-UHFFFAOYSA-N 2 2 380.536 3.219 20 0 GGADLP C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000192946846 1432911760 /nfs/dbraw/zinc/91/17/60/1432911760.db2.gz ZSKNTZBBOWIOGX-OALUTQOASA-N 2 2 388.556 3.293 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)c1ccco1 ZINC000192999591 1432919930 /nfs/dbraw/zinc/91/99/30/1432919930.db2.gz ZBACUJVXBSAUHP-DLBZAZTESA-N 2 2 378.904 3.138 20 0 GGADLP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]Cc2sccc2Cl)c1 ZINC000193013987 1432922477 /nfs/dbraw/zinc/92/24/77/1432922477.db2.gz KALIKFZRALHNGH-UHFFFAOYSA-N 2 2 393.940 3.352 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](C(C)C)CC3)c2C1 ZINC000193329126 1432980291 /nfs/dbraw/zinc/98/02/91/1432980291.db2.gz ZONKPQHNUGZQNP-UHFFFAOYSA-N 2 2 380.536 3.215 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC3CC[NH+](C(C)C)CC3)c2C1 ZINC000193329126 1432980288 /nfs/dbraw/zinc/98/02/88/1432980288.db2.gz ZONKPQHNUGZQNP-UHFFFAOYSA-N 2 2 380.536 3.215 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193999378 1433098650 /nfs/dbraw/zinc/09/86/50/1433098650.db2.gz XXTAJEJQZHJKQN-OAQYLSRUSA-N 2 2 393.535 3.003 20 0 GGADLP O=C(NCc1cc[nH+]c(N2CCCC2)c1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193999378 1433098651 /nfs/dbraw/zinc/09/86/51/1433098651.db2.gz XXTAJEJQZHJKQN-OAQYLSRUSA-N 2 2 393.535 3.003 20 0 GGADLP Cc1ccc(N2CCC(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)CC2)[nH+]c1 ZINC000194038922 1433105409 /nfs/dbraw/zinc/10/54/09/1433105409.db2.gz GKSJAGLVXLEYAO-IBGZPJMESA-N 2 2 382.508 3.153 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N3CCC[N@H+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000194086320 1433114485 /nfs/dbraw/zinc/11/44/85/1433114485.db2.gz KJKLCQODHRIWEU-UHFFFAOYSA-N 2 2 392.547 3.341 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N3CCC[N@@H+](Cc4ccccc4)CC3)CC2)[nH+]c1 ZINC000194086320 1433114487 /nfs/dbraw/zinc/11/44/87/1433114487.db2.gz KJKLCQODHRIWEU-UHFFFAOYSA-N 2 2 392.547 3.341 20 0 GGADLP CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](C)C[NH+]3CCCC3)c2C1 ZINC000194092201 1433115793 /nfs/dbraw/zinc/11/57/93/1433115793.db2.gz MQHQXJTXSULWJD-KRWDZBQOSA-N 2 2 380.536 3.075 20 0 GGADLP CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](C)C[NH+]3CCCC3)c2C1 ZINC000194092201 1433115796 /nfs/dbraw/zinc/11/57/96/1433115796.db2.gz MQHQXJTXSULWJD-KRWDZBQOSA-N 2 2 380.536 3.075 20 0 GGADLP C=Cn1cc(C[NH2+]CCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cn1 ZINC000194203027 1433137637 /nfs/dbraw/zinc/13/76/37/1433137637.db2.gz UTEFREHUCBBQQS-UHFFFAOYSA-N 2 2 393.457 3.304 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194425173 1433175984 /nfs/dbraw/zinc/17/59/84/1433175984.db2.gz LOMNQRQMLBUESO-FQEVSTJZSA-N 2 2 381.524 3.095 20 0 GGADLP O=C(NCCCCNc1cccc[nH+]1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194425173 1433175987 /nfs/dbraw/zinc/17/59/87/1433175987.db2.gz LOMNQRQMLBUESO-FQEVSTJZSA-N 2 2 381.524 3.095 20 0 GGADLP CC[C@@H]1CCc2nc(NC(=O)N(C)CC[N@H+](C)C3CC[NH+](C)CC3)sc2C1 ZINC000194474412 1433183955 /nfs/dbraw/zinc/18/39/55/1433183955.db2.gz RXRHEIFVTFGPLP-OAHLLOKOSA-N 2 2 393.601 3.148 20 0 GGADLP CC[C@@H]1CCc2nc(NC(=O)N(C)CC[N@@H+](C)C3CC[NH+](C)CC3)sc2C1 ZINC000194474412 1433183956 /nfs/dbraw/zinc/18/39/56/1433183956.db2.gz RXRHEIFVTFGPLP-OAHLLOKOSA-N 2 2 393.601 3.148 20 0 GGADLP O=C(N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH+](C2CC2)CC1 ZINC000194596256 1433203251 /nfs/dbraw/zinc/20/32/51/1433203251.db2.gz KNOBPRWNEYSWRX-SFHVURJKSA-N 2 2 393.934 3.434 20 0 GGADLP O=C(N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CC[NH+](C2CC2)CC1 ZINC000194596256 1433203253 /nfs/dbraw/zinc/20/32/53/1433203253.db2.gz KNOBPRWNEYSWRX-SFHVURJKSA-N 2 2 393.934 3.434 20 0 GGADLP CSc1ccccc1[C@@H](C)[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000194874828 1433253944 /nfs/dbraw/zinc/25/39/44/1433253944.db2.gz HDQFXORVVCEYMN-QGZVFWFLSA-N 2 2 384.549 3.193 20 0 GGADLP Cc1ccc(N2CCC(C(=O)N(CC[NH+](C)C)Cc3ccccc3F)CC2)[nH+]c1 ZINC000194937566 1433268505 /nfs/dbraw/zinc/26/85/05/1433268505.db2.gz AUUOYRUMHCOJFZ-UHFFFAOYSA-N 2 2 398.526 3.336 20 0 GGADLP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000195306524 1433317426 /nfs/dbraw/zinc/31/74/26/1433317426.db2.gz XTRGLKKJIVXLIB-NRFANRHFSA-N 2 2 387.474 3.348 20 0 GGADLP COc1ccc(Cl)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000195341868 1433320732 /nfs/dbraw/zinc/32/07/32/1433320732.db2.gz HPCCWSFDXLYVSU-UHFFFAOYSA-N 2 2 380.920 3.029 20 0 GGADLP CCCOc1ccc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000195344109 1433321041 /nfs/dbraw/zinc/32/10/41/1433321041.db2.gz MRDRMGMZODYAPG-UHFFFAOYSA-N 2 2 388.556 3.464 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC(F)F ZINC000195467108 1433333465 /nfs/dbraw/zinc/33/34/65/1433333465.db2.gz CCDZBWAMMTZZCQ-CALCHBBNSA-N 2 2 397.510 3.287 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)ccc1OC(F)F ZINC000195467108 1433333467 /nfs/dbraw/zinc/33/34/67/1433333467.db2.gz CCDZBWAMMTZZCQ-CALCHBBNSA-N 2 2 397.510 3.287 20 0 GGADLP COc1cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)ccc1OC(F)F ZINC000195467116 1433333483 /nfs/dbraw/zinc/33/34/83/1433333483.db2.gz CCDZBWAMMTZZCQ-IAGOWNOFSA-N 2 2 397.510 3.287 20 0 GGADLP CCOc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1OCC(C)C ZINC000216165137 1433362996 /nfs/dbraw/zinc/36/29/96/1433362996.db2.gz RMULBMWQUDHHLA-UHFFFAOYSA-N 2 2 389.584 3.334 20 0 GGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cccc4c3OCO4)CC2)cc1 ZINC000236698208 1433376161 /nfs/dbraw/zinc/37/61/61/1433376161.db2.gz GSHVDHWXHYHCTB-UHFFFAOYSA-N 2 2 381.520 3.103 20 0 GGADLP c1ccc(C[NH+]2CCN(CCCC[NH2+]Cc3cccc4c3OCCO4)CC2)cc1 ZINC000236698163 1433376218 /nfs/dbraw/zinc/37/62/18/1433376218.db2.gz SZLOIOJTIMSNEA-UHFFFAOYSA-N 2 2 395.547 3.145 20 0 GGADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000236799646 1433379074 /nfs/dbraw/zinc/37/90/74/1433379074.db2.gz JZWLEUWJCLCLHI-GOSISDBHSA-N 2 2 396.457 3.338 20 0 GGADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000236799646 1433379077 /nfs/dbraw/zinc/37/90/77/1433379077.db2.gz JZWLEUWJCLCLHI-GOSISDBHSA-N 2 2 396.457 3.338 20 0 GGADLP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3c(C)nc4sc(C)cn34)cc2)CC1 ZINC000236844375 1433380700 /nfs/dbraw/zinc/38/07/00/1433380700.db2.gz SOJGWTRFAOYUOJ-UHFFFAOYSA-N 2 2 397.592 3.440 20 0 GGADLP CC[NH+](CC)Cc1nc(C2(NC(=O)CC[C@H]([NH3+])c3ccccc3)CCCC2)no1 ZINC000236942174 1433383751 /nfs/dbraw/zinc/38/37/51/1433383751.db2.gz NFMYABQACWFAMF-SFHVURJKSA-N 2 2 399.539 3.277 20 0 GGADLP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)oc1C ZINC000237072128 1433387821 /nfs/dbraw/zinc/38/78/21/1433387821.db2.gz SYXCOQUQSLGVKJ-HOTGVXAUSA-N 2 2 386.492 3.274 20 0 GGADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2cc(C)ccc2OC(F)F)nc[nH+]1 ZINC000237080795 1433388292 /nfs/dbraw/zinc/38/82/92/1433388292.db2.gz UFXOOCRRGNUYGQ-OAHLLOKOSA-N 2 2 377.439 3.187 20 0 GGADLP COc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1OCc1ccccc1 ZINC000237175850 1433391351 /nfs/dbraw/zinc/39/13/51/1433391351.db2.gz LHNVBLYVYYRXRM-JOCHJYFZSA-N 2 2 398.547 3.457 20 0 GGADLP COc1cc2c(c(C[NH2+]Cc3cccc(C[NH+]4CCOCC4)c3)c1)O[C@@H](C)C2 ZINC000237412969 1433401611 /nfs/dbraw/zinc/40/16/11/1433401611.db2.gz QSWGGSWXIBYWRL-KRWDZBQOSA-N 2 2 382.504 3.141 20 0 GGADLP C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237503971 1433407115 /nfs/dbraw/zinc/40/71/15/1433407115.db2.gz SYJGKFHFUJFMKP-NZQKXSOJSA-N 2 2 395.547 3.216 20 0 GGADLP O=C([C@@H]1CC[NH2+]C1)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000237652517 1433414912 /nfs/dbraw/zinc/41/49/12/1433414912.db2.gz FLTMFBPTEYIBDS-WIYYLYMNSA-N 2 2 383.923 3.183 20 0 GGADLP O=C([C@H]1CC[NH2+]C1)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000237652618 1433415004 /nfs/dbraw/zinc/41/50/04/1433415004.db2.gz FLTMFBPTEYIBDS-GHTZIAJQSA-N 2 2 383.923 3.183 20 0 GGADLP C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237666357 1433415804 /nfs/dbraw/zinc/41/58/04/1433415804.db2.gz PVGCYGVMESTHME-ZRCGQRJVSA-N 2 2 395.547 3.072 20 0 GGADLP Cn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237778781 1433423385 /nfs/dbraw/zinc/42/33/85/1433423385.db2.gz KYHHHWQWTJZOAQ-UHFFFAOYSA-N 2 2 388.431 3.471 20 0 GGADLP [NH3+][C@@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000237825701 1433426566 /nfs/dbraw/zinc/42/65/66/1433426566.db2.gz PPFBDFWNFUAWRN-PKOBYXMFSA-N 2 2 375.875 3.432 20 0 GGADLP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237831906 1433427342 /nfs/dbraw/zinc/42/73/42/1433427342.db2.gz ISPXYOVOSOHAFT-SFTDATJTSA-N 2 2 383.923 3.308 20 0 GGADLP [NH3+]C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237832558 1433427463 /nfs/dbraw/zinc/42/74/63/1433427463.db2.gz OCHPREWRUUPBIT-OALUTQOASA-N 2 2 389.902 3.302 20 0 GGADLP [NH3+]C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237832558 1433427467 /nfs/dbraw/zinc/42/74/67/1433427467.db2.gz OCHPREWRUUPBIT-OALUTQOASA-N 2 2 389.902 3.302 20 0 GGADLP [NH3+][C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237843157 1433428179 /nfs/dbraw/zinc/42/81/79/1433428179.db2.gz FXLXTKXVNRVFFA-IEBWSBKVSA-N 2 2 375.875 3.260 20 0 GGADLP [NH3+][C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)c1ccccc1 ZINC000237843157 1433428180 /nfs/dbraw/zinc/42/81/80/1433428180.db2.gz FXLXTKXVNRVFFA-IEBWSBKVSA-N 2 2 375.875 3.260 20 0 GGADLP [NH3+][C@@H](C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237867831 1433430388 /nfs/dbraw/zinc/43/03/88/1433430388.db2.gz YGDUDQFLZFATCA-LJQANCHMSA-N 2 2 378.501 3.340 20 0 GGADLP [NH3+][C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2)c1ccccc1 ZINC000237867831 1433430389 /nfs/dbraw/zinc/43/03/89/1433430389.db2.gz YGDUDQFLZFATCA-LJQANCHMSA-N 2 2 378.501 3.340 20 0 GGADLP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000237986351 1433438184 /nfs/dbraw/zinc/43/81/84/1433438184.db2.gz SAHUBAJFNLLOJE-DEOSSOPVSA-N 2 2 385.511 3.199 20 0 GGADLP [NH3+][C@H](C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000238020637 1433439708 /nfs/dbraw/zinc/43/97/08/1433439708.db2.gz PPFBDFWNFUAWRN-HKUYNNGSSA-N 2 2 375.875 3.432 20 0 GGADLP [NH3+]C[C@@H](C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccccc1 ZINC000238026574 1433440162 /nfs/dbraw/zinc/44/01/62/1433440162.db2.gz KYNCPKPMYPHZTA-VQIMIIECSA-N 2 2 389.902 3.475 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cs1 ZINC000238079164 1433442212 /nfs/dbraw/zinc/44/22/12/1433442212.db2.gz QDLKDCRCCZSNNZ-KRWDZBQOSA-N 2 2 398.557 3.193 20 0 GGADLP [NH3+]Cc1nc(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cs1 ZINC000238079164 1433442215 /nfs/dbraw/zinc/44/22/15/1433442215.db2.gz QDLKDCRCCZSNNZ-KRWDZBQOSA-N 2 2 398.557 3.193 20 0 GGADLP CC[N@H+](C)C[C@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432477 1433466558 /nfs/dbraw/zinc/46/65/58/1433466558.db2.gz BHPFOSRPDGAKIT-LSDHHAIUSA-N 2 2 387.597 3.214 20 0 GGADLP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432477 1433466560 /nfs/dbraw/zinc/46/65/60/1433466560.db2.gz BHPFOSRPDGAKIT-LSDHHAIUSA-N 2 2 387.597 3.214 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432477 1433466564 /nfs/dbraw/zinc/46/65/64/1433466564.db2.gz BHPFOSRPDGAKIT-LSDHHAIUSA-N 2 2 387.597 3.214 20 0 GGADLP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CC[C@H](C)C4)C1 ZINC000245432477 1433466566 /nfs/dbraw/zinc/46/65/66/1433466566.db2.gz BHPFOSRPDGAKIT-LSDHHAIUSA-N 2 2 387.597 3.214 20 0 GGADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245451154 1433469973 /nfs/dbraw/zinc/46/99/73/1433469973.db2.gz PFICULWNVAKTTQ-WIYYLYMNSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccc(F)cc1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245451154 1433469974 /nfs/dbraw/zinc/46/99/74/1433469974.db2.gz PFICULWNVAKTTQ-WIYYLYMNSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245451154 1433469975 /nfs/dbraw/zinc/46/99/75/1433469975.db2.gz PFICULWNVAKTTQ-WIYYLYMNSA-N 2 2 383.511 3.284 20 0 GGADLP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245451154 1433469976 /nfs/dbraw/zinc/46/99/76/1433469976.db2.gz PFICULWNVAKTTQ-WIYYLYMNSA-N 2 2 383.511 3.284 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccccc2C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)C1 ZINC000245450678 1433470079 /nfs/dbraw/zinc/47/00/79/1433470079.db2.gz OVYMLUOFWOXPCW-VXKWHMMOSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccccc2C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)C1 ZINC000245450678 1433470087 /nfs/dbraw/zinc/47/00/87/1433470087.db2.gz OVYMLUOFWOXPCW-VXKWHMMOSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000245450678 1433470090 /nfs/dbraw/zinc/47/00/90/1433470090.db2.gz OVYMLUOFWOXPCW-VXKWHMMOSA-N 4 2 386.628 3.234 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000245450678 1433470094 /nfs/dbraw/zinc/47/00/94/1433470094.db2.gz OVYMLUOFWOXPCW-VXKWHMMOSA-N 4 2 386.628 3.234 20 0 GGADLP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000245456864 1433471557 /nfs/dbraw/zinc/47/15/57/1433471557.db2.gz UBCMOLGDDUQGOF-QUCCMNQESA-N 2 2 397.563 3.469 20 0 GGADLP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000245456864 1433471562 /nfs/dbraw/zinc/47/15/62/1433471562.db2.gz UBCMOLGDDUQGOF-QUCCMNQESA-N 2 2 397.563 3.469 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000245456864 1433471564 /nfs/dbraw/zinc/47/15/64/1433471564.db2.gz UBCMOLGDDUQGOF-QUCCMNQESA-N 2 2 397.563 3.469 20 0 GGADLP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)C(=O)N(C)Cc2ccc3cc(OC)ccc3c2)C1 ZINC000245456864 1433471565 /nfs/dbraw/zinc/47/15/65/1433471565.db2.gz UBCMOLGDDUQGOF-QUCCMNQESA-N 2 2 397.563 3.469 20 0 GGADLP COc1cccc(CNC(=O)[C@H](C)[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000245457853 1433471930 /nfs/dbraw/zinc/47/19/30/1433471930.db2.gz UOINFBCMCXFHHF-SIKLNZKXSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@H](C)[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000245457853 1433471932 /nfs/dbraw/zinc/47/19/32/1433471932.db2.gz UOINFBCMCXFHHF-SIKLNZKXSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000245457853 1433471937 /nfs/dbraw/zinc/47/19/37/1433471937.db2.gz UOINFBCMCXFHHF-SIKLNZKXSA-N 2 2 395.547 3.154 20 0 GGADLP COc1cccc(CNC(=O)[C@H](C)[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000245457853 1433471940 /nfs/dbraw/zinc/47/19/40/1433471940.db2.gz UOINFBCMCXFHHF-SIKLNZKXSA-N 2 2 395.547 3.154 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000245495565 1433477257 /nfs/dbraw/zinc/47/72/57/1433477257.db2.gz PSVDFLSTRJTVJU-QAPCUYQASA-N 2 2 389.931 3.163 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000245515579 1433479958 /nfs/dbraw/zinc/47/99/58/1433479958.db2.gz QFCPTRYQJIKOAM-NRSPTQNISA-N 2 2 393.535 3.013 20 0 GGADLP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1Cc1ccccc1 ZINC000245515579 1433479962 /nfs/dbraw/zinc/47/99/62/1433479962.db2.gz QFCPTRYQJIKOAM-NRSPTQNISA-N 2 2 393.535 3.013 20 0 GGADLP C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@@H]1c1cccs1 ZINC000245514072 1433480031 /nfs/dbraw/zinc/48/00/31/1433480031.db2.gz PDPDVDQQNVOMRF-FUHIMQAGSA-N 2 2 399.564 3.104 20 0 GGADLP C[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)[C@@H]1c1cccs1 ZINC000245514072 1433480032 /nfs/dbraw/zinc/48/00/32/1433480032.db2.gz PDPDVDQQNVOMRF-FUHIMQAGSA-N 2 2 399.564 3.104 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000245515578 1433480108 /nfs/dbraw/zinc/48/01/08/1433480108.db2.gz QFCPTRYQJIKOAM-GIVPXCGWSA-N 2 2 393.535 3.013 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)CC[N@H+]1Cc1ccccc1 ZINC000245515578 1433480110 /nfs/dbraw/zinc/48/01/10/1433480110.db2.gz QFCPTRYQJIKOAM-GIVPXCGWSA-N 2 2 393.535 3.013 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245567055 1433486619 /nfs/dbraw/zinc/48/66/19/1433486619.db2.gz RTDLSDWTYQOKSI-JEBQAFNWSA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245567055 1433486620 /nfs/dbraw/zinc/48/66/20/1433486620.db2.gz RTDLSDWTYQOKSI-JEBQAFNWSA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245600630 1433489760 /nfs/dbraw/zinc/48/97/60/1433489760.db2.gz MIETWTNQLDUGIK-FSPWUOQZSA-N 2 2 376.863 3.364 20 0 GGADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000245600630 1433489761 /nfs/dbraw/zinc/48/97/61/1433489761.db2.gz MIETWTNQLDUGIK-FSPWUOQZSA-N 2 2 376.863 3.364 20 0 GGADLP CN(C(=O)c1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245619422 1433491680 /nfs/dbraw/zinc/49/16/80/1433491680.db2.gz ALBCVUBDURWLMY-VQTJNVASSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245619422 1433491684 /nfs/dbraw/zinc/49/16/84/1433491684.db2.gz ALBCVUBDURWLMY-VQTJNVASSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245619721 1433491896 /nfs/dbraw/zinc/49/18/96/1433491896.db2.gz ANRKVDHDAXAKHF-NHCUHLMSSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1ccc(F)c(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245619721 1433491897 /nfs/dbraw/zinc/49/18/97/1433491897.db2.gz ANRKVDHDAXAKHF-NHCUHLMSSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)CC[C@H]1CCCCO1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245623143 1433492176 /nfs/dbraw/zinc/49/21/76/1433492176.db2.gz BKUPHMBMBDQNQQ-NJDAHSKKSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)CC[C@H]1CCCCO1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245623143 1433492179 /nfs/dbraw/zinc/49/21/79/1433492179.db2.gz BKUPHMBMBDQNQQ-NJDAHSKKSA-N 2 2 379.589 3.131 20 0 GGADLP CN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245676843 1433498094 /nfs/dbraw/zinc/49/80/94/1433498094.db2.gz GGZOLSDRGIUZNO-FCHUYYIVSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245676843 1433498098 /nfs/dbraw/zinc/49/80/98/1433498098.db2.gz GGZOLSDRGIUZNO-FCHUYYIVSA-N 2 2 395.551 3.039 20 0 GGADLP CC[NH+](CC)CCN(Cc1ccccc1)c1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000245680930 1433498696 /nfs/dbraw/zinc/49/86/96/1433498696.db2.gz RQOVJEFQGRIMFJ-OAQYLSRUSA-N 2 2 397.567 3.034 20 0 GGADLP CN(C(=O)COc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245684763 1433498936 /nfs/dbraw/zinc/49/89/36/1433498936.db2.gz IGEGZSOAERQLHI-VQTJNVASSA-N 2 2 391.531 3.000 20 0 GGADLP CN(C(=O)COc1ccccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245684763 1433498941 /nfs/dbraw/zinc/49/89/41/1433498941.db2.gz IGEGZSOAERQLHI-VQTJNVASSA-N 2 2 391.531 3.000 20 0 GGADLP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245688845 1433499965 /nfs/dbraw/zinc/49/99/65/1433499965.db2.gz JDKXATYMYNCNHU-CWJKEVGVSA-N 2 2 379.589 3.130 20 0 GGADLP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245688845 1433499966 /nfs/dbraw/zinc/49/99/66/1433499966.db2.gz JDKXATYMYNCNHU-CWJKEVGVSA-N 2 2 379.589 3.130 20 0 GGADLP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245688848 1433499971 /nfs/dbraw/zinc/49/99/71/1433499971.db2.gz JDKXATYMYNCNHU-PBASOCQRSA-N 2 2 379.589 3.130 20 0 GGADLP C[C@@H]1CC[C@H](CCC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)O1 ZINC000245688848 1433499973 /nfs/dbraw/zinc/49/99/73/1433499973.db2.gz JDKXATYMYNCNHU-PBASOCQRSA-N 2 2 379.589 3.130 20 0 GGADLP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000245690499 1433500009 /nfs/dbraw/zinc/50/00/09/1433500009.db2.gz LRTYKAKSCDZLHG-XUWXXGDYSA-N 2 2 399.963 3.025 20 0 GGADLP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+]1CCSCC1 ZINC000245690499 1433500012 /nfs/dbraw/zinc/50/00/12/1433500012.db2.gz LRTYKAKSCDZLHG-XUWXXGDYSA-N 2 2 399.963 3.025 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245695240 1433501302 /nfs/dbraw/zinc/50/13/02/1433501302.db2.gz BBLBAFRKCSTYML-WMLDXEAASA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245695240 1433501305 /nfs/dbraw/zinc/50/13/05/1433501305.db2.gz BBLBAFRKCSTYML-WMLDXEAASA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245695240 1433501309 /nfs/dbraw/zinc/50/13/09/1433501309.db2.gz BBLBAFRKCSTYML-WMLDXEAASA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245695240 1433501312 /nfs/dbraw/zinc/50/13/12/1433501312.db2.gz BBLBAFRKCSTYML-WMLDXEAASA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245695245 1433501364 /nfs/dbraw/zinc/50/13/64/1433501364.db2.gz BBLBAFRKCSTYML-YOEHRIQHSA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000245695245 1433501368 /nfs/dbraw/zinc/50/13/68/1433501368.db2.gz BBLBAFRKCSTYML-YOEHRIQHSA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245695245 1433501371 /nfs/dbraw/zinc/50/13/71/1433501371.db2.gz BBLBAFRKCSTYML-YOEHRIQHSA-N 2 2 386.462 3.118 20 0 GGADLP Cc1nn(C)c(OCC(F)(F)F)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000245695245 1433501377 /nfs/dbraw/zinc/50/13/77/1433501377.db2.gz BBLBAFRKCSTYML-YOEHRIQHSA-N 2 2 386.462 3.118 20 0 GGADLP CN(C(=O)c1cccc(F)c1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245694447 1433501466 /nfs/dbraw/zinc/50/14/66/1433501466.db2.gz KENZRCDDBLUOSN-RBUKOAKNSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cccc(F)c1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245694447 1433501472 /nfs/dbraw/zinc/50/14/72/1433501472.db2.gz KENZRCDDBLUOSN-RBUKOAKNSA-N 2 2 379.495 3.374 20 0 GGADLP COCc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245714652 1433504985 /nfs/dbraw/zinc/50/49/85/1433504985.db2.gz OFMPVTNHUFBOPX-FGZHOGPDSA-N 2 2 387.568 3.242 20 0 GGADLP COCc1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245714652 1433504987 /nfs/dbraw/zinc/50/49/87/1433504987.db2.gz OFMPVTNHUFBOPX-FGZHOGPDSA-N 2 2 387.568 3.242 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245721801 1433505865 /nfs/dbraw/zinc/50/58/65/1433505865.db2.gz UVBIXZFDCQENJX-SVFBPWRDSA-N 2 2 384.524 3.050 20 0 GGADLP C[C@H](OCCCNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccccc1 ZINC000245721801 1433505869 /nfs/dbraw/zinc/50/58/69/1433505869.db2.gz UVBIXZFDCQENJX-SVFBPWRDSA-N 2 2 384.524 3.050 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245723433 1433506273 /nfs/dbraw/zinc/50/62/73/1433506273.db2.gz UZSYZKJVHCWMKI-NQIIRXRSSA-N 2 2 384.524 3.261 20 0 GGADLP CCCCOc1cccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)c1 ZINC000245723433 1433506274 /nfs/dbraw/zinc/50/62/74/1433506274.db2.gz UZSYZKJVHCWMKI-NQIIRXRSSA-N 2 2 384.524 3.261 20 0 GGADLP CN(C(=O)Cc1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245723471 1433506280 /nfs/dbraw/zinc/50/62/80/1433506280.db2.gz QGTPKYCBMGTPOH-NHCUHLMSSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)Cc1cc(F)ccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245723471 1433506284 /nfs/dbraw/zinc/50/62/84/1433506284.db2.gz QGTPKYCBMGTPOH-NHCUHLMSSA-N 2 2 393.522 3.303 20 0 GGADLP CN(C(=O)C[C@@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737412 1433508526 /nfs/dbraw/zinc/50/85/26/1433508526.db2.gz UAOADKYKRFNBEU-GUDVDZBRSA-N 2 2 399.670 3.021 20 0 GGADLP CN(C(=O)C[C@@H]1CSCCS1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737412 1433508527 /nfs/dbraw/zinc/50/85/27/1433508527.db2.gz UAOADKYKRFNBEU-GUDVDZBRSA-N 2 2 399.670 3.021 20 0 GGADLP CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245737886 1433508766 /nfs/dbraw/zinc/50/87/66/1433508766.db2.gz UEHMJAREHIDFBW-WOJBJXKFSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)c1cc(F)cc(F)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245737886 1433508767 /nfs/dbraw/zinc/50/87/67/1433508767.db2.gz UEHMJAREHIDFBW-WOJBJXKFSA-N 2 2 379.495 3.374 20 0 GGADLP CN(C(=O)CCc1cccs1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000245739215 1433509105 /nfs/dbraw/zinc/50/91/05/1433509105.db2.gz UPTBENWFXGTXPR-VQTJNVASSA-N 2 2 377.598 3.476 20 0 GGADLP CN(C(=O)CCc1cccs1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000245739215 1433509107 /nfs/dbraw/zinc/50/91/07/1433509107.db2.gz UPTBENWFXGTXPR-VQTJNVASSA-N 2 2 377.598 3.476 20 0 GGADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245756309 1433512259 /nfs/dbraw/zinc/51/22/59/1433512259.db2.gz ZNVGMYQUYPAXKO-ZRGWGRIASA-N 2 2 376.451 3.264 20 0 GGADLP C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000245756309 1433512267 /nfs/dbraw/zinc/51/22/67/1433512267.db2.gz ZNVGMYQUYPAXKO-ZRGWGRIASA-N 2 2 376.451 3.264 20 0 GGADLP CN(C)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245759879 1433512989 /nfs/dbraw/zinc/51/29/89/1433512989.db2.gz ZQBZUNXCQJHTMM-FGZHOGPDSA-N 2 2 386.584 3.162 20 0 GGADLP CN(C)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000245759879 1433512990 /nfs/dbraw/zinc/51/29/90/1433512990.db2.gz ZQBZUNXCQJHTMM-FGZHOGPDSA-N 2 2 386.584 3.162 20 0 GGADLP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245828843 1433522966 /nfs/dbraw/zinc/52/29/66/1433522966.db2.gz FYAAKHJJBQCTQA-AZUAARDMSA-N 2 2 398.551 3.341 20 0 GGADLP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245828843 1433522969 /nfs/dbraw/zinc/52/29/69/1433522969.db2.gz FYAAKHJJBQCTQA-AZUAARDMSA-N 2 2 398.551 3.341 20 0 GGADLP CC[N@H+](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000245847136 1433526183 /nfs/dbraw/zinc/52/61/83/1433526183.db2.gz JOPYRRUWDHRENY-CVDCTZTESA-N 2 2 395.547 3.217 20 0 GGADLP CC[N@@H+](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000245847136 1433526184 /nfs/dbraw/zinc/52/61/84/1433526184.db2.gz JOPYRRUWDHRENY-CVDCTZTESA-N 2 2 395.547 3.217 20 0 GGADLP CC[NH+](C)[C@H](C(=O)NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000245847136 1433526185 /nfs/dbraw/zinc/52/61/85/1433526185.db2.gz JOPYRRUWDHRENY-CVDCTZTESA-N 2 2 395.547 3.217 20 0 GGADLP CC[NH+](C)[C@H](C(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccccc1 ZINC000245847136 1433526186 /nfs/dbraw/zinc/52/61/86/1433526186.db2.gz JOPYRRUWDHRENY-CVDCTZTESA-N 2 2 395.547 3.217 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245853447 1433526808 /nfs/dbraw/zinc/52/68/08/1433526808.db2.gz JRFFORXZSFZWTM-AZUAARDMSA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245853447 1433526813 /nfs/dbraw/zinc/52/68/13/1433526813.db2.gz JRFFORXZSFZWTM-AZUAARDMSA-N 2 2 379.504 3.268 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000245866975 1433530765 /nfs/dbraw/zinc/53/07/65/1433530765.db2.gz LNKXJRHGWMDZPQ-CZTZKLFOSA-N 2 2 383.536 3.130 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000245866975 1433530773 /nfs/dbraw/zinc/53/07/73/1433530773.db2.gz LNKXJRHGWMDZPQ-CZTZKLFOSA-N 2 2 383.536 3.130 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000245869557 1433531262 /nfs/dbraw/zinc/53/12/62/1433531262.db2.gz LTPNKLCKOSUVJM-ICSRJNTNSA-N 2 2 385.552 3.412 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000245869557 1433531263 /nfs/dbraw/zinc/53/12/63/1433531263.db2.gz LTPNKLCKOSUVJM-ICSRJNTNSA-N 2 2 385.552 3.412 20 0 GGADLP CC(C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000245901658 1433538481 /nfs/dbraw/zinc/53/84/81/1433538481.db2.gz QAATUFBHOLSDIU-PZJWPPBQSA-N 2 2 382.552 3.231 20 0 GGADLP CC(C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccccc1 ZINC000245901658 1433538486 /nfs/dbraw/zinc/53/84/86/1433538486.db2.gz QAATUFBHOLSDIU-PZJWPPBQSA-N 2 2 382.552 3.231 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCn4cc[nH+]c4C3)cc2)C1 ZINC000245933307 1433546610 /nfs/dbraw/zinc/54/66/10/1433546610.db2.gz JXVNEUAEOYGKKX-OPYAIIAOSA-N 2 2 380.536 3.240 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)CC1 ZINC000245938182 1433547913 /nfs/dbraw/zinc/54/79/13/1433547913.db2.gz SYNWETBJYJRLNW-UXHICEINSA-N 2 2 386.584 3.157 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3c(C)cccc3C(C)C)C2)CC1 ZINC000245938182 1433547917 /nfs/dbraw/zinc/54/79/17/1433547917.db2.gz SYNWETBJYJRLNW-UXHICEINSA-N 2 2 386.584 3.157 20 0 GGADLP COc1ccc(-c2noc([C@@H](C)[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)n2)cc1 ZINC000245984937 1433553377 /nfs/dbraw/zinc/55/33/77/1433553377.db2.gz WCMPYUVFRGTTGA-CVEARBPZSA-N 2 2 381.480 3.494 20 0 GGADLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)C1 ZINC000246091777 1433567293 /nfs/dbraw/zinc/56/72/93/1433567293.db2.gz JQXQLYHLGRAJQF-KDOFPFPSSA-N 2 2 390.890 3.273 20 0 GGADLP Cn1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000246124873 1433572082 /nfs/dbraw/zinc/57/20/82/1433572082.db2.gz KNUNDOCINJKVCB-ICSRJNTNSA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000246124873 1433572086 /nfs/dbraw/zinc/57/20/86/1433572086.db2.gz KNUNDOCINJKVCB-ICSRJNTNSA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000246124873 1433572089 /nfs/dbraw/zinc/57/20/89/1433572089.db2.gz KNUNDOCINJKVCB-ICSRJNTNSA-N 2 2 396.535 3.165 20 0 GGADLP Cn1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000246124873 1433572093 /nfs/dbraw/zinc/57/20/93/1433572093.db2.gz KNUNDOCINJKVCB-ICSRJNTNSA-N 2 2 396.535 3.165 20 0 GGADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246201503 1433581273 /nfs/dbraw/zinc/58/12/73/1433581273.db2.gz NSTUBYFWJOBAQV-SIKLNZKXSA-N 2 2 385.552 3.167 20 0 GGADLP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246201503 1433581277 /nfs/dbraw/zinc/58/12/77/1433581277.db2.gz NSTUBYFWJOBAQV-SIKLNZKXSA-N 2 2 385.552 3.167 20 0 GGADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246201513 1433581304 /nfs/dbraw/zinc/58/13/04/1433581304.db2.gz NSTUBYFWJOBAQV-UGKGYDQZSA-N 2 2 385.552 3.167 20 0 GGADLP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246201513 1433581306 /nfs/dbraw/zinc/58/13/06/1433581306.db2.gz NSTUBYFWJOBAQV-UGKGYDQZSA-N 2 2 385.552 3.167 20 0 GGADLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000246215464 1433582857 /nfs/dbraw/zinc/58/28/57/1433582857.db2.gz COEQFHPAZBYMRR-YOEHRIQHSA-N 2 2 390.325 3.138 20 0 GGADLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000246215464 1433582859 /nfs/dbraw/zinc/58/28/59/1433582859.db2.gz COEQFHPAZBYMRR-YOEHRIQHSA-N 2 2 390.325 3.138 20 0 GGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000246215464 1433582862 /nfs/dbraw/zinc/58/28/62/1433582862.db2.gz COEQFHPAZBYMRR-YOEHRIQHSA-N 2 2 390.325 3.138 20 0 GGADLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000246215464 1433582864 /nfs/dbraw/zinc/58/28/64/1433582864.db2.gz COEQFHPAZBYMRR-YOEHRIQHSA-N 2 2 390.325 3.138 20 0 GGADLP CCC(CC)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246245220 1433585983 /nfs/dbraw/zinc/58/59/83/1433585983.db2.gz GMUMOPIPIBCXEG-WOJBJXKFSA-N 2 2 387.634 3.021 20 0 GGADLP CCC(CC)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246245220 1433585985 /nfs/dbraw/zinc/58/59/85/1433585985.db2.gz GMUMOPIPIBCXEG-WOJBJXKFSA-N 2 2 387.634 3.021 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000246248017 1433586301 /nfs/dbraw/zinc/58/63/01/1433586301.db2.gz DYEHPBFPCWLBGM-ZBFHGGJFSA-N 2 2 399.366 3.032 20 0 GGADLP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000246248017 1433586302 /nfs/dbraw/zinc/58/63/02/1433586302.db2.gz DYEHPBFPCWLBGM-ZBFHGGJFSA-N 2 2 399.366 3.032 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000246331163 1433595855 /nfs/dbraw/zinc/59/58/55/1433595855.db2.gz GSZPFULGBJVOIK-NGRWLJPCSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CCC(n2cc[nH+]c2)CC1 ZINC000246331163 1433595858 /nfs/dbraw/zinc/59/58/58/1433595858.db2.gz GSZPFULGBJVOIK-NGRWLJPCSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000246383483 1433604629 /nfs/dbraw/zinc/60/46/29/1433604629.db2.gz ACTOYUWERVPIDI-PGRDOPGGSA-N 2 2 378.520 3.209 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000246383483 1433604630 /nfs/dbraw/zinc/60/46/30/1433604630.db2.gz ACTOYUWERVPIDI-PGRDOPGGSA-N 2 2 378.520 3.209 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246415518 1433609413 /nfs/dbraw/zinc/60/94/13/1433609413.db2.gz RACHIGKUQXZCAA-IFMALSPDSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000246415518 1433609416 /nfs/dbraw/zinc/60/94/16/1433609416.db2.gz RACHIGKUQXZCAA-IFMALSPDSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000246415518 1433609421 /nfs/dbraw/zinc/60/94/21/1433609421.db2.gz RACHIGKUQXZCAA-IFMALSPDSA-N 2 2 391.559 3.414 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000246415518 1433609425 /nfs/dbraw/zinc/60/94/25/1433609425.db2.gz RACHIGKUQXZCAA-IFMALSPDSA-N 2 2 391.559 3.414 20 0 GGADLP Cc1ccc(CN(C(=O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000246433028 1433612133 /nfs/dbraw/zinc/61/21/33/1433612133.db2.gz CSEVMELWRZTZSF-NZQKXSOJSA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C2CC2)cc1 ZINC000246433028 1433612138 /nfs/dbraw/zinc/61/21/38/1433612138.db2.gz CSEVMELWRZTZSF-NZQKXSOJSA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246433028 1433612145 /nfs/dbraw/zinc/61/21/45/1433612145.db2.gz CSEVMELWRZTZSF-NZQKXSOJSA-N 2 2 381.564 3.435 20 0 GGADLP Cc1ccc(CN(C(=O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C2CC2)cc1 ZINC000246433028 1433612151 /nfs/dbraw/zinc/61/21/51/1433612151.db2.gz CSEVMELWRZTZSF-NZQKXSOJSA-N 2 2 381.564 3.435 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000246434365 1433612345 /nfs/dbraw/zinc/61/23/45/1433612345.db2.gz ODKXUVXUVSQVPJ-MAUKXSAKSA-N 2 2 394.441 3.374 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000246434365 1433612351 /nfs/dbraw/zinc/61/23/51/1433612351.db2.gz ODKXUVXUVSQVPJ-MAUKXSAKSA-N 2 2 394.441 3.374 20 0 GGADLP CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000246433827 1433612375 /nfs/dbraw/zinc/61/23/75/1433612375.db2.gz OCGKZLQNZSHSSD-FHWLQOOXSA-N 2 2 375.561 3.086 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246435842 1433612749 /nfs/dbraw/zinc/61/27/49/1433612749.db2.gz CUMKNPDCVXZEGK-ACIOBRDBSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246435842 1433612755 /nfs/dbraw/zinc/61/27/55/1433612755.db2.gz CUMKNPDCVXZEGK-ACIOBRDBSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246435842 1433612760 /nfs/dbraw/zinc/61/27/60/1433612760.db2.gz CUMKNPDCVXZEGK-ACIOBRDBSA-N 2 2 383.580 3.491 20 0 GGADLP CC(C)[C@H](CNC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246435842 1433612766 /nfs/dbraw/zinc/61/27/66/1433612766.db2.gz CUMKNPDCVXZEGK-ACIOBRDBSA-N 2 2 383.580 3.491 20 0 GGADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000246500728 1433622070 /nfs/dbraw/zinc/62/20/70/1433622070.db2.gz HRROUOHSIFWKOB-UPVQGACJSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000246500728 1433622078 /nfs/dbraw/zinc/62/20/78/1433622078.db2.gz HRROUOHSIFWKOB-UPVQGACJSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000246500728 1433622081 /nfs/dbraw/zinc/62/20/81/1433622081.db2.gz HRROUOHSIFWKOB-UPVQGACJSA-N 2 2 395.591 3.416 20 0 GGADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCC(Cc2ccccc2)CC1 ZINC000246500728 1433622084 /nfs/dbraw/zinc/62/20/84/1433622084.db2.gz HRROUOHSIFWKOB-UPVQGACJSA-N 2 2 395.591 3.416 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C)C1 ZINC000246538540 1433627492 /nfs/dbraw/zinc/62/74/92/1433627492.db2.gz VVMPDEIRSNANOH-FFZOFVMBSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@@H](C)C1 ZINC000246538540 1433627498 /nfs/dbraw/zinc/62/74/98/1433627498.db2.gz VVMPDEIRSNANOH-FFZOFVMBSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C)C1 ZINC000246538551 1433627702 /nfs/dbraw/zinc/62/77/02/1433627702.db2.gz VVMPDEIRSNANOH-UXPWSPDFSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2=O)[C@H](C)C1 ZINC000246538551 1433627703 /nfs/dbraw/zinc/62/77/03/1433627703.db2.gz VVMPDEIRSNANOH-UXPWSPDFSA-N 2 2 393.959 3.172 20 0 GGADLP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246546949 1433629520 /nfs/dbraw/zinc/62/95/20/1433629520.db2.gz WFHKHXGYBYVXAH-WZONZLPQSA-N 2 2 399.535 3.368 20 0 GGADLP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)c1 ZINC000246546949 1433629521 /nfs/dbraw/zinc/62/95/21/1433629521.db2.gz WFHKHXGYBYVXAH-WZONZLPQSA-N 2 2 399.535 3.368 20 0 GGADLP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000246747194 1433659398 /nfs/dbraw/zinc/65/93/98/1433659398.db2.gz AXWDNDBBCYFFGM-CMKODMSKSA-N 2 2 388.556 3.244 20 0 GGADLP C[C@@H]1CC[N@@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246841197 1433677387 /nfs/dbraw/zinc/67/73/87/1433677387.db2.gz ZUFPQWDEKXSCKK-TYCQWZJGSA-N 2 2 388.471 3.251 20 0 GGADLP C[C@@H]1CC[N@H+]([C@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000246841197 1433677390 /nfs/dbraw/zinc/67/73/90/1433677390.db2.gz ZUFPQWDEKXSCKK-TYCQWZJGSA-N 2 2 388.471 3.251 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)C[C@H]3CCC[NH+](C)C3)ccc2c1 ZINC000246884451 1433682878 /nfs/dbraw/zinc/68/28/78/1433682878.db2.gz LLRHPYNPOWPRCY-QUCCMNQESA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)C[C@H]3CCC[NH+](C)C3)ccc2c1 ZINC000246884451 1433682880 /nfs/dbraw/zinc/68/28/80/1433682880.db2.gz LLRHPYNPOWPRCY-QUCCMNQESA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+](C)C[C@H]3CCC[N@H+](C)C3)ccc2c1 ZINC000246884451 1433682883 /nfs/dbraw/zinc/68/28/83/1433682883.db2.gz LLRHPYNPOWPRCY-QUCCMNQESA-N 2 2 397.563 3.469 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH+](C)C[C@H]3CCC[N@@H+](C)C3)ccc2c1 ZINC000246884451 1433682886 /nfs/dbraw/zinc/68/28/86/1433682886.db2.gz LLRHPYNPOWPRCY-QUCCMNQESA-N 2 2 397.563 3.469 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246908407 1433685989 /nfs/dbraw/zinc/68/59/89/1433685989.db2.gz RUVSXHKVYGEUAY-BBTUJRGHSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(C)c1 ZINC000246908407 1433685996 /nfs/dbraw/zinc/68/59/96/1433685996.db2.gz RUVSXHKVYGEUAY-BBTUJRGHSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000246908407 1433686003 /nfs/dbraw/zinc/68/60/03/1433686003.db2.gz RUVSXHKVYGEUAY-BBTUJRGHSA-N 2 2 398.551 3.289 20 0 GGADLP Cc1ccc(NC(=O)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000246908407 1433686007 /nfs/dbraw/zinc/68/60/07/1433686007.db2.gz RUVSXHKVYGEUAY-BBTUJRGHSA-N 2 2 398.551 3.289 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000246915097 1433687148 /nfs/dbraw/zinc/68/71/48/1433687148.db2.gz GLAGSJALGVLPJH-CRAIPNDOSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000246915097 1433687155 /nfs/dbraw/zinc/68/71/55/1433687155.db2.gz GLAGSJALGVLPJH-CRAIPNDOSA-N 2 2 394.441 3.418 20 0 GGADLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000247216601 1433692020 /nfs/dbraw/zinc/69/20/20/1433692020.db2.gz XHUMZGBIAFEIEP-PZJWPPBQSA-N 2 2 388.625 3.243 20 0 GGADLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000247216601 1433692024 /nfs/dbraw/zinc/69/20/24/1433692024.db2.gz XHUMZGBIAFEIEP-PZJWPPBQSA-N 2 2 388.625 3.243 20 0 GGADLP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247228150 1433693720 /nfs/dbraw/zinc/69/37/20/1433693720.db2.gz YBORMILNNORNSN-GCJKJVERSA-N 2 2 386.584 3.309 20 0 GGADLP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)CC1 ZINC000247228150 1433693723 /nfs/dbraw/zinc/69/37/23/1433693723.db2.gz YBORMILNNORNSN-GCJKJVERSA-N 2 2 386.584 3.309 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000247233573 1433694198 /nfs/dbraw/zinc/69/41/98/1433694198.db2.gz ZJVXHBYMBBYBSR-IOMROCGXSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)c1ccccn1 ZINC000247233573 1433694200 /nfs/dbraw/zinc/69/42/00/1433694200.db2.gz ZJVXHBYMBBYBSR-IOMROCGXSA-N 2 2 387.572 3.121 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247236349 1433694568 /nfs/dbraw/zinc/69/45/68/1433694568.db2.gz YUDHCMFHWKPOFC-UYAOXDASSA-N 2 2 382.552 3.165 20 0 GGADLP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247236349 1433694575 /nfs/dbraw/zinc/69/45/75/1433694575.db2.gz YUDHCMFHWKPOFC-UYAOXDASSA-N 2 2 382.552 3.165 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC000247251646 1433696549 /nfs/dbraw/zinc/69/65/49/1433696549.db2.gz ZYKKUEUYROBXJD-NJAFHUGGSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@@H]([NH+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[N@H+]1Cc1ccccc1 ZINC000247251646 1433696552 /nfs/dbraw/zinc/69/65/52/1433696552.db2.gz ZYKKUEUYROBXJD-NJAFHUGGSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@@H]([N@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000247251646 1433696554 /nfs/dbraw/zinc/69/65/54/1433696554.db2.gz ZYKKUEUYROBXJD-NJAFHUGGSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@@H]([N@@H+](C)[C@H]2CCN(CC(F)(F)F)C2=O)CC[NH+]1Cc1ccccc1 ZINC000247251646 1433696557 /nfs/dbraw/zinc/69/65/57/1433696557.db2.gz ZYKKUEUYROBXJD-NJAFHUGGSA-N 2 2 383.458 3.135 20 0 GGADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C1 ZINC000247287222 1433700392 /nfs/dbraw/zinc/70/03/92/1433700392.db2.gz TZIDFSRPZODQBN-QRVBRYPASA-N 2 2 389.588 3.141 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247331018 1433708295 /nfs/dbraw/zinc/70/82/95/1433708295.db2.gz UYEOHJVQFXBKOB-CABCVRRESA-N 2 2 392.450 3.303 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247331018 1433708302 /nfs/dbraw/zinc/70/83/02/1433708302.db2.gz UYEOHJVQFXBKOB-CABCVRRESA-N 2 2 392.450 3.303 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247331028 1433708575 /nfs/dbraw/zinc/70/85/75/1433708575.db2.gz UYEOHJVQFXBKOB-GJZGRUSLSA-N 2 2 392.450 3.303 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000247331028 1433708581 /nfs/dbraw/zinc/70/85/81/1433708581.db2.gz UYEOHJVQFXBKOB-GJZGRUSLSA-N 2 2 392.450 3.303 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@@H+]1Cc1ccccc1 ZINC000247495014 1433729641 /nfs/dbraw/zinc/72/96/41/1433729641.db2.gz ZXTRQRJIONGPEL-HLAWJBBLSA-N 2 2 395.551 3.047 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)C[N@H+]1Cc1ccccc1 ZINC000247495014 1433729642 /nfs/dbraw/zinc/72/96/42/1433729642.db2.gz ZXTRQRJIONGPEL-HLAWJBBLSA-N 2 2 395.551 3.047 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247542157 1433735381 /nfs/dbraw/zinc/73/53/81/1433735381.db2.gz KBQTVXRZGMYTGS-CKEIUWERSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247542157 1433735385 /nfs/dbraw/zinc/73/53/85/1433735385.db2.gz KBQTVXRZGMYTGS-CKEIUWERSA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247542170 1433735665 /nfs/dbraw/zinc/73/56/65/1433735665.db2.gz KBQTVXRZGMYTGS-JKIFEVAISA-N 2 2 378.423 3.395 20 0 GGADLP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000247542170 1433735670 /nfs/dbraw/zinc/73/56/70/1433735670.db2.gz KBQTVXRZGMYTGS-JKIFEVAISA-N 2 2 378.423 3.395 20 0 GGADLP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)Cc1ccccc1 ZINC000247548718 1433736343 /nfs/dbraw/zinc/73/63/43/1433736343.db2.gz KINVENGOKZPETP-HJNYFJLDSA-N 2 2 397.567 3.429 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C[N@@H+]1Cc1ccccc1 ZINC000247621163 1433740380 /nfs/dbraw/zinc/74/03/80/1433740380.db2.gz NEXBPEMZANEBGT-VURPSTOHSA-N 2 2 381.524 3.139 20 0 GGADLP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)C[N@H+]1Cc1ccccc1 ZINC000247621163 1433740385 /nfs/dbraw/zinc/74/03/85/1433740385.db2.gz NEXBPEMZANEBGT-VURPSTOHSA-N 2 2 381.524 3.139 20 0 GGADLP CCc1ccc([C@H](CNC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)[NH+](C)C)cc1 ZINC000247626206 1433740629 /nfs/dbraw/zinc/74/06/29/1433740629.db2.gz NNPXRTLIZNIPHU-QMMLZNLJSA-N 2 2 383.540 3.341 20 0 GGADLP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247628139 1433741089 /nfs/dbraw/zinc/74/10/89/1433741089.db2.gz NQPAQGLQACITGS-XJKSGUPXSA-N 2 2 382.386 3.303 20 0 GGADLP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H]1n1cc[nH+]c1 ZINC000247628139 1433741099 /nfs/dbraw/zinc/74/10/99/1433741099.db2.gz NQPAQGLQACITGS-XJKSGUPXSA-N 2 2 382.386 3.303 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000247681815 1433746252 /nfs/dbraw/zinc/74/62/52/1433746252.db2.gz RTMWISKIYADJOE-GIVPXCGWSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1n1cc[nH+]c1 ZINC000247681815 1433746255 /nfs/dbraw/zinc/74/62/55/1433746255.db2.gz RTMWISKIYADJOE-GIVPXCGWSA-N 2 2 381.524 3.140 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000247771892 1433750216 /nfs/dbraw/zinc/75/02/16/1433750216.db2.gz PJQLPODIPBSUEM-QZTJIDSGSA-N 2 2 397.523 3.436 20 0 GGADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)C1 ZINC000247771892 1433750219 /nfs/dbraw/zinc/75/02/19/1433750219.db2.gz PJQLPODIPBSUEM-QZTJIDSGSA-N 2 2 397.523 3.436 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247772872 1433750339 /nfs/dbraw/zinc/75/03/39/1433750339.db2.gz WIUZJIXFUBBLRH-FMKPAKJESA-N 2 2 378.423 3.395 20 0 GGADLP C[C@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000247772872 1433750349 /nfs/dbraw/zinc/75/03/49/1433750349.db2.gz WIUZJIXFUBBLRH-FMKPAKJESA-N 2 2 378.423 3.395 20 0 GGADLP C[C@H](NC(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931282 1433757175 /nfs/dbraw/zinc/75/71/75/1433757175.db2.gz CBJUBXPGAHUACI-QILLFSRXSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931282 1433757179 /nfs/dbraw/zinc/75/71/79/1433757179.db2.gz CBJUBXPGAHUACI-QILLFSRXSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931282 1433757183 /nfs/dbraw/zinc/75/71/83/1433757183.db2.gz CBJUBXPGAHUACI-QILLFSRXSA-N 2 2 399.457 3.179 20 0 GGADLP C[C@H](NC(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000247931282 1433757188 /nfs/dbraw/zinc/75/71/88/1433757188.db2.gz CBJUBXPGAHUACI-QILLFSRXSA-N 2 2 399.457 3.179 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000247971918 1433760440 /nfs/dbraw/zinc/76/04/40/1433760440.db2.gz HLQUJZDBRNEKTF-ZTFGCOKTSA-N 2 2 397.441 3.107 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000247971918 1433760444 /nfs/dbraw/zinc/76/04/44/1433760444.db2.gz HLQUJZDBRNEKTF-ZTFGCOKTSA-N 2 2 397.441 3.107 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000247971918 1433760447 /nfs/dbraw/zinc/76/04/47/1433760447.db2.gz HLQUJZDBRNEKTF-ZTFGCOKTSA-N 2 2 397.441 3.107 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@H]21 ZINC000247971918 1433760451 /nfs/dbraw/zinc/76/04/51/1433760451.db2.gz HLQUJZDBRNEKTF-ZTFGCOKTSA-N 2 2 397.441 3.107 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000247971908 1433760556 /nfs/dbraw/zinc/76/05/56/1433760556.db2.gz HLQUJZDBRNEKTF-JLSDUUJJSA-N 2 2 397.441 3.107 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000247971908 1433760561 /nfs/dbraw/zinc/76/05/61/1433760561.db2.gz HLQUJZDBRNEKTF-JLSDUUJJSA-N 2 2 397.441 3.107 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000247971908 1433760566 /nfs/dbraw/zinc/76/05/66/1433760566.db2.gz HLQUJZDBRNEKTF-JLSDUUJJSA-N 2 2 397.441 3.107 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC[C@@H]21 ZINC000247971908 1433760573 /nfs/dbraw/zinc/76/05/73/1433760573.db2.gz HLQUJZDBRNEKTF-JLSDUUJJSA-N 2 2 397.441 3.107 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000247980263 1433761333 /nfs/dbraw/zinc/76/13/33/1433761333.db2.gz IGRIYYJPAANAFU-MISYRCLQSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000247980263 1433761337 /nfs/dbraw/zinc/76/13/37/1433761337.db2.gz IGRIYYJPAANAFU-MISYRCLQSA-N 2 2 388.556 3.281 20 0 GGADLP C[C@@H](c1ccc(F)c(F)c1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248016262 1433763184 /nfs/dbraw/zinc/76/31/84/1433763184.db2.gz QJWVMCBPOFMRIT-INIZCTEOSA-N 2 2 388.462 3.092 20 0 GGADLP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248016262 1433763188 /nfs/dbraw/zinc/76/31/88/1433763188.db2.gz QJWVMCBPOFMRIT-INIZCTEOSA-N 2 2 388.462 3.092 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)[N@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248016263 1433763389 /nfs/dbraw/zinc/76/33/89/1433763389.db2.gz QJWVMCBPOFMRIT-MRXNPFEDSA-N 2 2 388.462 3.092 20 0 GGADLP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000248016263 1433763395 /nfs/dbraw/zinc/76/33/95/1433763395.db2.gz QJWVMCBPOFMRIT-MRXNPFEDSA-N 2 2 388.462 3.092 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000248118485 1433770474 /nfs/dbraw/zinc/77/04/74/1433770474.db2.gz NBHVFJYWTBXLMW-JTHBVZDNSA-N 2 2 395.547 3.223 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)ccc2c1 ZINC000248118485 1433770478 /nfs/dbraw/zinc/77/04/78/1433770478.db2.gz NBHVFJYWTBXLMW-JTHBVZDNSA-N 2 2 395.547 3.223 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)ccc2c1 ZINC000248118485 1433770481 /nfs/dbraw/zinc/77/04/81/1433770481.db2.gz NBHVFJYWTBXLMW-JTHBVZDNSA-N 2 2 395.547 3.223 20 0 GGADLP COc1ccc2cc(CN(C)C(=O)C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc2c1 ZINC000248118485 1433770486 /nfs/dbraw/zinc/77/04/86/1433770486.db2.gz NBHVFJYWTBXLMW-JTHBVZDNSA-N 2 2 395.547 3.223 20 0 GGADLP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000248166642 1433776818 /nfs/dbraw/zinc/77/68/18/1433776818.db2.gz TWHHJIHCTAVMII-OFAXGOBFSA-N 2 2 383.536 3.402 20 0 GGADLP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)c1 ZINC000248166642 1433776823 /nfs/dbraw/zinc/77/68/23/1433776823.db2.gz TWHHJIHCTAVMII-OFAXGOBFSA-N 2 2 383.536 3.402 20 0 GGADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@H]21 ZINC000248200183 1433780144 /nfs/dbraw/zinc/78/01/44/1433780144.db2.gz YKJOEFAXLWGDLD-ZTFGCOKTSA-N 2 2 381.442 3.227 20 0 GGADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@H]21 ZINC000248200183 1433780145 /nfs/dbraw/zinc/78/01/45/1433780145.db2.gz YKJOEFAXLWGDLD-ZTFGCOKTSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@H]21 ZINC000248200183 1433780146 /nfs/dbraw/zinc/78/01/46/1433780146.db2.gz YKJOEFAXLWGDLD-ZTFGCOKTSA-N 2 2 381.442 3.227 20 0 GGADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)CC[C@H]21 ZINC000248200183 1433780147 /nfs/dbraw/zinc/78/01/47/1433780147.db2.gz YKJOEFAXLWGDLD-ZTFGCOKTSA-N 2 2 381.442 3.227 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248524914 1433806816 /nfs/dbraw/zinc/80/68/16/1433806816.db2.gz UDHWPOSVCISEPY-FHWLQOOXSA-N 2 2 378.582 3.400 20 0 GGADLP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248524914 1433806817 /nfs/dbraw/zinc/80/68/17/1433806817.db2.gz UDHWPOSVCISEPY-FHWLQOOXSA-N 2 2 378.582 3.400 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000248529183 1433807091 /nfs/dbraw/zinc/80/70/91/1433807091.db2.gz WNZNOKMUWMIROK-DUXKGJEZSA-N 2 2 376.566 3.154 20 0 GGADLP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000248529183 1433807092 /nfs/dbraw/zinc/80/70/92/1433807092.db2.gz WNZNOKMUWMIROK-DUXKGJEZSA-N 2 2 376.566 3.154 20 0 GGADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000248581675 1433809752 /nfs/dbraw/zinc/80/97/52/1433809752.db2.gz OUSDHGUPKQELGM-DLBZAZTESA-N 2 2 377.916 3.076 20 0 GGADLP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000248581675 1433809753 /nfs/dbraw/zinc/80/97/53/1433809753.db2.gz OUSDHGUPKQELGM-DLBZAZTESA-N 2 2 377.916 3.076 20 0 GGADLP CN(C(=O)Nc1ccncc1F)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248708059 1433816666 /nfs/dbraw/zinc/81/66/66/1433816666.db2.gz AWKCDCSXJUYORF-RBUKOAKNSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1ccncc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248708059 1433816668 /nfs/dbraw/zinc/81/66/68/1433816668.db2.gz AWKCDCSXJUYORF-RBUKOAKNSA-N 2 2 377.508 3.022 20 0 GGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000248727703 1433818155 /nfs/dbraw/zinc/81/81/55/1433818155.db2.gz LKSDCMGEQHNVEI-MAODMQOUSA-N 2 2 385.939 3.379 20 0 GGADLP C[C@@H]1C[C@H]([NH2+][C@H](Cc2ccc(Cl)cc2)C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000248727703 1433818157 /nfs/dbraw/zinc/81/81/57/1433818157.db2.gz LKSDCMGEQHNVEI-MAODMQOUSA-N 2 2 385.939 3.379 20 0 GGADLP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000248737463 1433818841 /nfs/dbraw/zinc/81/88/41/1433818841.db2.gz PMIHUPKQLCUJAT-QFBILLFUSA-N 2 2 391.968 3.300 20 0 GGADLP NC(=O)[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000248737463 1433818842 /nfs/dbraw/zinc/81/88/42/1433818842.db2.gz PMIHUPKQLCUJAT-QFBILLFUSA-N 2 2 391.968 3.300 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccc([S@](C)=O)cc1 ZINC000248834267 1433825063 /nfs/dbraw/zinc/82/50/63/1433825063.db2.gz MSZZOFFNYZYHIX-DHGLHQTCSA-N 2 2 386.561 3.366 20 0 GGADLP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1ccc([S@](C)=O)cc1 ZINC000248834267 1433825064 /nfs/dbraw/zinc/82/50/64/1433825064.db2.gz MSZZOFFNYZYHIX-DHGLHQTCSA-N 2 2 386.561 3.366 20 0 GGADLP CN(C(=O)c1coc(C2CCC2)n1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000248843764 1433825339 /nfs/dbraw/zinc/82/53/39/1433825339.db2.gz HCDHAHVPUFSUBI-VQTJNVASSA-N 2 2 388.556 3.351 20 0 GGADLP CN(C(=O)c1coc(C2CCC2)n1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000248843764 1433825341 /nfs/dbraw/zinc/82/53/41/1433825341.db2.gz HCDHAHVPUFSUBI-VQTJNVASSA-N 2 2 388.556 3.351 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000248860605 1433826249 /nfs/dbraw/zinc/82/62/49/1433826249.db2.gz ADQPBKHAGKCDBX-AZUAARDMSA-N 2 2 375.557 3.475 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccccc2C(C)C)[C@@H](C)C1 ZINC000248860605 1433826250 /nfs/dbraw/zinc/82/62/50/1433826250.db2.gz ADQPBKHAGKCDBX-AZUAARDMSA-N 2 2 375.557 3.475 20 0 GGADLP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000249014816 1433832239 /nfs/dbraw/zinc/83/22/39/1433832239.db2.gz PJRHNZFUYSELAY-NHCUHLMSSA-N 2 2 397.567 3.254 20 0 GGADLP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000249014816 1433832240 /nfs/dbraw/zinc/83/22/40/1433832240.db2.gz PJRHNZFUYSELAY-NHCUHLMSSA-N 2 2 397.567 3.254 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000249113902 1433835885 /nfs/dbraw/zinc/83/58/85/1433835885.db2.gz NPYIVIXEWGZXDG-BGWNEDDSSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000249113902 1433835886 /nfs/dbraw/zinc/83/58/86/1433835886.db2.gz NPYIVIXEWGZXDG-BGWNEDDSSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000249113902 1433835887 /nfs/dbraw/zinc/83/58/87/1433835887.db2.gz NPYIVIXEWGZXDG-BGWNEDDSSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000249113902 1433835889 /nfs/dbraw/zinc/83/58/89/1433835889.db2.gz NPYIVIXEWGZXDG-BGWNEDDSSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000249113909 1433835931 /nfs/dbraw/zinc/83/59/31/1433835931.db2.gz NPYIVIXEWGZXDG-JCTONOIOSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000249113909 1433835932 /nfs/dbraw/zinc/83/59/32/1433835932.db2.gz NPYIVIXEWGZXDG-JCTONOIOSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000249113909 1433835933 /nfs/dbraw/zinc/83/59/33/1433835933.db2.gz NPYIVIXEWGZXDG-JCTONOIOSA-N 2 2 381.564 3.374 20 0 GGADLP C[C@]1(Cc2ccccc2)CCN(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1=O ZINC000249113909 1433835934 /nfs/dbraw/zinc/83/59/34/1433835934.db2.gz NPYIVIXEWGZXDG-JCTONOIOSA-N 2 2 381.564 3.374 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000249261995 1433839803 /nfs/dbraw/zinc/83/98/03/1433839803.db2.gz ICCNAWLYQFENRF-WMZOPIPTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000249261995 1433839804 /nfs/dbraw/zinc/83/98/04/1433839804.db2.gz ICCNAWLYQFENRF-WMZOPIPTSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000249263166 1433839813 /nfs/dbraw/zinc/83/98/13/1433839813.db2.gz ICWHCDZJCBYLMT-FUHWJXTLSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2c(C)cccc2Cl)[C@@H](C)C1 ZINC000249263166 1433839814 /nfs/dbraw/zinc/83/98/14/1433839814.db2.gz ICWHCDZJCBYLMT-FUHWJXTLSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)[C@@H](C)C1 ZINC000249275402 1433839966 /nfs/dbraw/zinc/83/99/66/1433839966.db2.gz JVCXMBIQTMKMOW-MPGHIAIKSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2c(F)cccc2F)[C@@H](C)C1 ZINC000249275402 1433839967 /nfs/dbraw/zinc/83/99/67/1433839967.db2.gz JVCXMBIQTMKMOW-MPGHIAIKSA-N 2 2 383.483 3.018 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249287951 1433840511 /nfs/dbraw/zinc/84/05/11/1433840511.db2.gz LWBWBPRWKMPUJL-UZLBHIALSA-N 2 2 379.495 3.120 20 0 GGADLP CC[NH+](CC)C[C@H]1CC[N@H+]([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000249287951 1433840512 /nfs/dbraw/zinc/84/05/12/1433840512.db2.gz LWBWBPRWKMPUJL-UZLBHIALSA-N 2 2 379.495 3.120 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000249300555 1433840854 /nfs/dbraw/zinc/84/08/54/1433840854.db2.gz NNBUOILNTTVQOD-KXBFYZLASA-N 2 2 382.932 3.353 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)ccc2Cl)[C@@H](C)C1 ZINC000249300555 1433840857 /nfs/dbraw/zinc/84/08/57/1433840857.db2.gz NNBUOILNTTVQOD-KXBFYZLASA-N 2 2 382.932 3.353 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000249368900 1433841945 /nfs/dbraw/zinc/84/19/45/1433841945.db2.gz OROFRMLBLOSNSS-LPHOPBHVSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000249368900 1433841947 /nfs/dbraw/zinc/84/19/47/1433841947.db2.gz OROFRMLBLOSNSS-LPHOPBHVSA-N 2 2 379.570 3.074 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000249394163 1433842535 /nfs/dbraw/zinc/84/25/35/1433842535.db2.gz APFGDRCIMCXNEQ-KBXCAEBGSA-N 2 2 381.586 3.338 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2sc(C)c(C)c2C)[C@@H](C)C1 ZINC000249394163 1433842536 /nfs/dbraw/zinc/84/25/36/1433842536.db2.gz APFGDRCIMCXNEQ-KBXCAEBGSA-N 2 2 381.586 3.338 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000249395297 1433842540 /nfs/dbraw/zinc/84/25/40/1433842540.db2.gz AUPJYYQJCLAGDD-KHYOSLBOSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000249395297 1433842541 /nfs/dbraw/zinc/84/25/41/1433842541.db2.gz AUPJYYQJCLAGDD-KHYOSLBOSA-N 2 2 383.483 3.018 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000249409444 1433843116 /nfs/dbraw/zinc/84/31/16/1433843116.db2.gz DXZNXBFOSSVHTE-MDZRGWNJSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000249409444 1433843117 /nfs/dbraw/zinc/84/31/17/1433843117.db2.gz DXZNXBFOSSVHTE-MDZRGWNJSA-N 2 2 381.948 3.394 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C)C1 ZINC000249420349 1433843433 /nfs/dbraw/zinc/84/34/33/1433843433.db2.gz HLANWLZFZTXJSI-FFZOFVMBSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2=O)[C@@H](C)C1 ZINC000249420349 1433843434 /nfs/dbraw/zinc/84/34/34/1433843434.db2.gz HLANWLZFZTXJSI-FFZOFVMBSA-N 2 2 393.959 3.172 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000249434209 1433843810 /nfs/dbraw/zinc/84/38/10/1433843810.db2.gz KMBAVJOFTPRUBX-WMLDXEAASA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2F)[C@@H](C)C1 ZINC000249434209 1433843812 /nfs/dbraw/zinc/84/38/12/1433843812.db2.gz KMBAVJOFTPRUBX-WMLDXEAASA-N 2 2 385.911 3.144 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000249467705 1433844498 /nfs/dbraw/zinc/84/44/98/1433844498.db2.gz SURILNNRYYXDEP-QFBILLFUSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C)c(Cl)c2)[C@@H](C)C1 ZINC000249467705 1433844499 /nfs/dbraw/zinc/84/44/99/1433844499.db2.gz SURILNNRYYXDEP-QFBILLFUSA-N 2 2 381.948 3.314 20 0 GGADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000249479563 1433844666 /nfs/dbraw/zinc/84/46/66/1433844666.db2.gz WLJUBTNDOJNVDJ-MAUKXSAKSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000249479563 1433844667 /nfs/dbraw/zinc/84/46/67/1433844667.db2.gz WLJUBTNDOJNVDJ-MAUKXSAKSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000249490874 1433844985 /nfs/dbraw/zinc/84/49/85/1433844985.db2.gz ZHZLSDYIENFXHR-RDJZCZTQSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000249490874 1433844987 /nfs/dbraw/zinc/84/49/87/1433844987.db2.gz ZHZLSDYIENFXHR-RDJZCZTQSA-N 2 2 397.947 3.014 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000249495703 1433845048 /nfs/dbraw/zinc/84/50/48/1433845048.db2.gz WCVQSRZHSOPFLP-FHWLQOOXSA-N 2 2 391.556 3.057 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cc(C)ccc2OC)[C@@H](C)C1 ZINC000249495703 1433845049 /nfs/dbraw/zinc/84/50/49/1433845049.db2.gz WCVQSRZHSOPFLP-FHWLQOOXSA-N 2 2 391.556 3.057 20 0 GGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249519862 1433846094 /nfs/dbraw/zinc/84/60/94/1433846094.db2.gz LCTAGNHSUHWAMU-QRVBRYPASA-N 2 2 388.556 3.292 20 0 GGADLP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000249519862 1433846095 /nfs/dbraw/zinc/84/60/95/1433846095.db2.gz LCTAGNHSUHWAMU-QRVBRYPASA-N 2 2 388.556 3.292 20 0 GGADLP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCc1ccc(Cn2cc[nH+]c2)cc1 ZINC000249751874 1433851095 /nfs/dbraw/zinc/85/10/95/1433851095.db2.gz BDCIRPNXKUCYLT-QRVBRYPASA-N 2 2 383.540 3.097 20 0 GGADLP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000249755281 1433851173 /nfs/dbraw/zinc/85/11/73/1433851173.db2.gz CQOHNASOWIFBEP-OTWHNJEPSA-N 2 2 387.572 3.238 20 0 GGADLP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000249755281 1433851174 /nfs/dbraw/zinc/85/11/74/1433851174.db2.gz CQOHNASOWIFBEP-OTWHNJEPSA-N 2 2 387.572 3.238 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250345847 1433855881 /nfs/dbraw/zinc/85/58/81/1433855881.db2.gz XUEJZMVUGSWQGP-NHCUHLMSSA-N 2 2 383.580 3.404 20 0 GGADLP C[C@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000250345847 1433855883 /nfs/dbraw/zinc/85/58/83/1433855883.db2.gz XUEJZMVUGSWQGP-NHCUHLMSSA-N 2 2 383.580 3.404 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C(C)C)cc1 ZINC000252692406 1433864232 /nfs/dbraw/zinc/86/42/32/1433864232.db2.gz BHHANLJUAWWODG-WNOPAQSVSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C(C)C)cc1 ZINC000252692406 1433864234 /nfs/dbraw/zinc/86/42/34/1433864234.db2.gz BHHANLJUAWWODG-WNOPAQSVSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C(C)C)cc1 ZINC000252692406 1433864235 /nfs/dbraw/zinc/86/42/35/1433864235.db2.gz BHHANLJUAWWODG-WNOPAQSVSA-N 2 2 399.579 3.457 20 0 GGADLP COc1ccc([C@H](NC(=O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C(C)C)cc1 ZINC000252692406 1433864236 /nfs/dbraw/zinc/86/42/36/1433864236.db2.gz BHHANLJUAWWODG-WNOPAQSVSA-N 2 2 399.579 3.457 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000252743737 1433864733 /nfs/dbraw/zinc/86/47/33/1433864733.db2.gz ATPNOQMBWBWZBL-ROUUACIJSA-N 2 2 376.545 3.322 20 0 GGADLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000252743737 1433864734 /nfs/dbraw/zinc/86/47/34/1433864734.db2.gz ATPNOQMBWBWZBL-ROUUACIJSA-N 2 2 376.545 3.322 20 0 GGADLP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000253620071 1433870723 /nfs/dbraw/zinc/87/07/23/1433870723.db2.gz WXBUZTRPUSQWSW-BRWVUGGUSA-N 2 2 384.524 3.218 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261647808 1433898142 /nfs/dbraw/zinc/89/81/42/1433898142.db2.gz GBUJZCGKUVKSDL-UAGQMJEPSA-N 2 2 389.446 3.289 20 0 GGADLP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261647808 1433898143 /nfs/dbraw/zinc/89/81/43/1433898143.db2.gz GBUJZCGKUVKSDL-UAGQMJEPSA-N 2 2 389.446 3.289 20 0 GGADLP FC(F)Sc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1 ZINC000261725489 1433900426 /nfs/dbraw/zinc/90/04/26/1433900426.db2.gz LCUKHOMAHZMXDF-UHFFFAOYSA-N 2 2 379.480 3.076 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)C[C@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000261743752 1433901177 /nfs/dbraw/zinc/90/11/77/1433901177.db2.gz GTGRRAXIRSUIQK-KBXCAEBGSA-N 2 2 389.590 3.423 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)C[C@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000261743752 1433901184 /nfs/dbraw/zinc/90/11/84/1433901184.db2.gz GTGRRAXIRSUIQK-KBXCAEBGSA-N 2 2 389.590 3.423 20 0 GGADLP CSc1ccc([C@H](CNC(=O)C[C@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000261743761 1433901290 /nfs/dbraw/zinc/90/12/90/1433901290.db2.gz GTGRRAXIRSUIQK-KSSFIOAISA-N 2 2 389.590 3.423 20 0 GGADLP CSc1ccc([C@H](CNC(=O)C[C@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000261743761 1433901294 /nfs/dbraw/zinc/90/12/94/1433901294.db2.gz GTGRRAXIRSUIQK-KSSFIOAISA-N 2 2 389.590 3.423 20 0 GGADLP FC(F)Oc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)cc1Cl ZINC000261808360 1433905155 /nfs/dbraw/zinc/90/51/55/1433905155.db2.gz SJCSIDYNQUUEEY-UHFFFAOYSA-N 2 2 397.857 3.016 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)[C@@H](C)C[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000262349178 1433936180 /nfs/dbraw/zinc/93/61/80/1433936180.db2.gz IURZMHXVOCITRG-KBXCAEBGSA-N 2 2 389.590 3.280 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)[C@@H](C)C[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000262349178 1433936182 /nfs/dbraw/zinc/93/61/82/1433936182.db2.gz IURZMHXVOCITRG-KBXCAEBGSA-N 2 2 389.590 3.280 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)[C@H](C)C[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000262349185 1433936213 /nfs/dbraw/zinc/93/62/13/1433936213.db2.gz IURZMHXVOCITRG-RDTXWAMCSA-N 2 2 389.590 3.280 20 0 GGADLP CSc1ccc([C@@H](CNC(=O)[C@H](C)C[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000262349185 1433936216 /nfs/dbraw/zinc/93/62/16/1433936216.db2.gz IURZMHXVOCITRG-RDTXWAMCSA-N 2 2 389.590 3.280 20 0 GGADLP C[NH2+]CCC(=O)NC[C@@H](c1ccc(SC)cc1)[N@@H+]1CCc2sccc2C1 ZINC000262393629 1433937615 /nfs/dbraw/zinc/93/76/15/1433937615.db2.gz OLHCRFIRDQPUMG-SFHVURJKSA-N 2 2 389.590 3.295 20 0 GGADLP C[NH2+]CCC(=O)NC[C@@H](c1ccc(SC)cc1)[N@H+]1CCc2sccc2C1 ZINC000262393629 1433937618 /nfs/dbraw/zinc/93/76/18/1433937618.db2.gz OLHCRFIRDQPUMG-SFHVURJKSA-N 2 2 389.590 3.295 20 0 GGADLP [NH3+][C@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@H+](Cc1ccccc1)CC2 ZINC000262665700 1433948875 /nfs/dbraw/zinc/94/88/75/1433948875.db2.gz ONKLHLWTWWNGSB-GOSISDBHSA-N 2 2 392.528 3.210 20 0 GGADLP [NH3+][C@H](Cc1ccccc1)C(=O)Nc1nc2c(s1)C[N@@H+](Cc1ccccc1)CC2 ZINC000262665700 1433948876 /nfs/dbraw/zinc/94/88/76/1433948876.db2.gz ONKLHLWTWWNGSB-GOSISDBHSA-N 2 2 392.528 3.210 20 0 GGADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000262667994 1433948914 /nfs/dbraw/zinc/94/89/14/1433948914.db2.gz QJWKMUUSOQDMNU-OALUTQOASA-N 2 2 391.437 3.404 20 0 GGADLP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000262667994 1433948919 /nfs/dbraw/zinc/94/89/19/1433948919.db2.gz QJWKMUUSOQDMNU-OALUTQOASA-N 2 2 391.437 3.404 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000262820519 1433958851 /nfs/dbraw/zinc/95/88/51/1433958851.db2.gz WVMHRVQGMAAXSQ-REWPJTCUSA-N 2 2 381.520 3.213 20 0 GGADLP COc1ccccc1[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000262820515 1433959036 /nfs/dbraw/zinc/95/90/36/1433959036.db2.gz WVMHRVQGMAAXSQ-NZQKXSOJSA-N 2 2 381.520 3.213 20 0 GGADLP C[C@H]1CCC[N@H+](Cc2csc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)C1 ZINC000263276745 1434000148 /nfs/dbraw/zinc/00/01/48/1434000148.db2.gz YSXKXCYLVAQIKT-MQWKBWCOSA-N 2 2 376.570 3.467 20 0 GGADLP C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])n2)C1 ZINC000263276745 1434000151 /nfs/dbraw/zinc/00/01/51/1434000151.db2.gz YSXKXCYLVAQIKT-MQWKBWCOSA-N 2 2 376.570 3.467 20 0 GGADLP COc1ccc(C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000263856840 1434042257 /nfs/dbraw/zinc/04/22/57/1434042257.db2.gz UGNANRLBFHRACT-SFHVURJKSA-N 2 2 397.519 3.125 20 0 GGADLP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000263930654 1434049937 /nfs/dbraw/zinc/04/99/37/1434049937.db2.gz CAFMUKHWPNBAQW-IBGZPJMESA-N 2 2 381.524 3.272 20 0 GGADLP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000263967243 1434054972 /nfs/dbraw/zinc/05/49/72/1434054972.db2.gz UWQULGYMZAJPCB-HXUWFJFHSA-N 2 2 381.524 3.485 20 0 GGADLP COc1cccc([C@H](CNC(=O)N2CCC(n3cc[nH+]c3)CC2)[NH+]2CCCC2)c1 ZINC000264046331 1434065963 /nfs/dbraw/zinc/06/59/63/1434065963.db2.gz LCKDWJREUYWDSI-NRFANRHFSA-N 2 2 397.523 3.075 20 0 GGADLP C[C@H](c1cccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1)[NH+]1CCOCC1 ZINC000264197568 1434081028 /nfs/dbraw/zinc/08/10/28/1434081028.db2.gz DGPRXXZQFCZKQA-VQIMIIECSA-N 2 2 386.496 3.097 20 0 GGADLP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264301749 1434094774 /nfs/dbraw/zinc/09/47/74/1434094774.db2.gz MEBBUVGGPXQMQU-JOCHJYFZSA-N 2 2 388.515 3.226 20 0 GGADLP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cccc(Cn2cc[nH+]c2)c1 ZINC000264301749 1434094775 /nfs/dbraw/zinc/09/47/75/1434094775.db2.gz MEBBUVGGPXQMQU-JOCHJYFZSA-N 2 2 388.515 3.226 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000264302192 1434094927 /nfs/dbraw/zinc/09/49/27/1434094927.db2.gz XJBPMVZRHAOABQ-GOSISDBHSA-N 2 2 394.560 3.030 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000264302192 1434094929 /nfs/dbraw/zinc/09/49/29/1434094929.db2.gz XJBPMVZRHAOABQ-GOSISDBHSA-N 2 2 394.560 3.030 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000264302196 1434095022 /nfs/dbraw/zinc/09/50/22/1434095022.db2.gz XJBPMVZRHAOABQ-SFHVURJKSA-N 2 2 394.560 3.030 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000264302196 1434095025 /nfs/dbraw/zinc/09/50/25/1434095025.db2.gz XJBPMVZRHAOABQ-SFHVURJKSA-N 2 2 394.560 3.030 20 0 GGADLP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[NH+]2CCSCC2)c1 ZINC000264803580 1434156392 /nfs/dbraw/zinc/15/63/92/1434156392.db2.gz FIHFEBLAYXAWLY-UHFFFAOYSA-N 2 2 387.553 3.225 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000264887069 1434162277 /nfs/dbraw/zinc/16/22/77/1434162277.db2.gz JDWHNCMUJFVVEI-UHFFFAOYSA-N 2 2 390.528 3.047 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000264887069 1434162278 /nfs/dbraw/zinc/16/22/78/1434162278.db2.gz JDWHNCMUJFVVEI-UHFFFAOYSA-N 2 2 390.528 3.047 20 0 GGADLP C[C@@H]1C[NH+](C(C)(C)CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)O1 ZINC000265115861 1434186595 /nfs/dbraw/zinc/18/65/95/1434186595.db2.gz YXTLEKQLZJGUDS-HZPDHXFCSA-N 2 2 387.524 3.112 20 0 GGADLP O=C(C[NH+]1CCC(c2[nH]cc[nH+]2)CC1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000265484227 1434238403 /nfs/dbraw/zinc/23/84/03/1434238403.db2.gz LNGSYSKLJSCEBI-UHFFFAOYSA-N 2 2 382.464 3.269 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000265695598 1434257551 /nfs/dbraw/zinc/25/75/51/1434257551.db2.gz GTGGWHQJQKCBRN-NRFANRHFSA-N 2 2 381.524 3.091 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000265773223 1434264063 /nfs/dbraw/zinc/26/40/63/1434264063.db2.gz DUNHQECQKHKRRZ-UHFFFAOYSA-N 2 2 397.523 3.444 20 0 GGADLP O=C(Nc1ccccc1OCCn1cc[nH+]c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265773223 1434264065 /nfs/dbraw/zinc/26/40/65/1434264065.db2.gz DUNHQECQKHKRRZ-UHFFFAOYSA-N 2 2 397.523 3.444 20 0 GGADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000266502521 1434344254 /nfs/dbraw/zinc/34/42/54/1434344254.db2.gz ZWZXLMGQPGUBNN-UHFFFAOYSA-N 2 2 390.425 3.334 20 0 GGADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000266502521 1434344256 /nfs/dbraw/zinc/34/42/56/1434344256.db2.gz ZWZXLMGQPGUBNN-UHFFFAOYSA-N 2 2 390.425 3.334 20 0 GGADLP C[N@@H+](CC(=O)N1CCc2sccc2C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266529357 1434346797 /nfs/dbraw/zinc/34/67/97/1434346797.db2.gz FHYBWSIPHBEDAA-IBGZPJMESA-N 2 2 383.561 3.087 20 0 GGADLP C[N@H+](CC(=O)N1CCc2sccc2C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266529357 1434346798 /nfs/dbraw/zinc/34/67/98/1434346798.db2.gz FHYBWSIPHBEDAA-IBGZPJMESA-N 2 2 383.561 3.087 20 0 GGADLP C[NH+](CC(=O)N1CCc2sccc2C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000266529357 1434346800 /nfs/dbraw/zinc/34/68/00/1434346800.db2.gz FHYBWSIPHBEDAA-IBGZPJMESA-N 2 2 383.561 3.087 20 0 GGADLP C[NH+](CC(=O)N1CCc2sccc2C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266529357 1434346801 /nfs/dbraw/zinc/34/68/01/1434346801.db2.gz FHYBWSIPHBEDAA-IBGZPJMESA-N 2 2 383.561 3.087 20 0 GGADLP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2nccs2)CC1 ZINC000266756086 1434371920 /nfs/dbraw/zinc/37/19/20/1434371920.db2.gz RRUIEAFEMKJZFZ-UHFFFAOYSA-N 2 2 386.565 3.011 20 0 GGADLP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+]C(C)(C)c2nccs2)CC1 ZINC000266756086 1434371923 /nfs/dbraw/zinc/37/19/23/1434371923.db2.gz RRUIEAFEMKJZFZ-UHFFFAOYSA-N 2 2 386.565 3.011 20 0 GGADLP CC[NH+](CC)CCSCC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000266807532 1434377432 /nfs/dbraw/zinc/37/74/32/1434377432.db2.gz GPJGKQIVEMHNDN-QGZVFWFLSA-N 2 2 379.570 3.093 20 0 GGADLP O=C(NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1C[NH+]1CCOCC1 ZINC000266857879 1434382488 /nfs/dbraw/zinc/38/24/88/1434382488.db2.gz TWFBWVAIMGABFC-UHFFFAOYSA-N 2 2 393.531 3.045 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000267193588 1434413275 /nfs/dbraw/zinc/41/32/75/1434413275.db2.gz HXAIBTJLYHRGEY-HMXCVIKNSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000267193588 1434413278 /nfs/dbraw/zinc/41/32/78/1434413278.db2.gz HXAIBTJLYHRGEY-HMXCVIKNSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000267193588 1434413281 /nfs/dbraw/zinc/41/32/81/1434413281.db2.gz HXAIBTJLYHRGEY-HMXCVIKNSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000267193588 1434413284 /nfs/dbraw/zinc/41/32/84/1434413284.db2.gz HXAIBTJLYHRGEY-HMXCVIKNSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000267193590 1434413379 /nfs/dbraw/zinc/41/33/79/1434413379.db2.gz HXAIBTJLYHRGEY-NRSPTQNISA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1 ZINC000267193590 1434413381 /nfs/dbraw/zinc/41/33/81/1434413381.db2.gz HXAIBTJLYHRGEY-NRSPTQNISA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000267193590 1434413383 /nfs/dbraw/zinc/41/33/83/1434413383.db2.gz HXAIBTJLYHRGEY-NRSPTQNISA-N 2 2 395.551 3.008 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1 ZINC000267193590 1434413385 /nfs/dbraw/zinc/41/33/85/1434413385.db2.gz HXAIBTJLYHRGEY-NRSPTQNISA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1Cn1cc[nH+]c1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267221934 1434414989 /nfs/dbraw/zinc/41/49/89/1434414989.db2.gz JFZBOLZBHVPJFF-RDPSFJRHSA-N 2 2 390.531 3.483 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267439547 1434433217 /nfs/dbraw/zinc/43/32/17/1434433217.db2.gz RZJIDLVPWSXHQF-HOJAQTOUSA-N 2 2 381.524 3.209 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000267439547 1434433218 /nfs/dbraw/zinc/43/32/18/1434433218.db2.gz RZJIDLVPWSXHQF-HOJAQTOUSA-N 2 2 381.524 3.209 20 0 GGADLP COc1cc(NC(=O)CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC)cc1Cl ZINC000267447784 1434434455 /nfs/dbraw/zinc/43/44/55/1434434455.db2.gz QOEOEFBJXGRWCI-CYBMUJFWSA-N 2 2 392.887 3.289 20 0 GGADLP COc1cc(NC(=O)CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(OC)cc1Cl ZINC000267447784 1434434457 /nfs/dbraw/zinc/43/44/57/1434434457.db2.gz QOEOEFBJXGRWCI-CYBMUJFWSA-N 2 2 392.887 3.289 20 0 GGADLP C[C@@H](c1nc2ccccc2n1C(F)F)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000267475545 1434438005 /nfs/dbraw/zinc/43/80/05/1434438005.db2.gz QAFAEAAINWHAKE-HNNXBMFYSA-N 2 2 379.499 3.450 20 0 GGADLP C[C@@H](c1nc2ccccc2n1C(F)F)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000267475545 1434438006 /nfs/dbraw/zinc/43/80/06/1434438006.db2.gz QAFAEAAINWHAKE-HNNXBMFYSA-N 2 2 379.499 3.450 20 0 GGADLP C[C@H](c1nc2ccccc2n1C(F)F)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000267475548 1434438296 /nfs/dbraw/zinc/43/82/96/1434438296.db2.gz QAFAEAAINWHAKE-OAHLLOKOSA-N 2 2 379.499 3.450 20 0 GGADLP C[C@H](c1nc2ccccc2n1C(F)F)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000267475548 1434438298 /nfs/dbraw/zinc/43/82/98/1434438298.db2.gz QAFAEAAINWHAKE-OAHLLOKOSA-N 2 2 379.499 3.450 20 0 GGADLP CC(C)CC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+]2CCOCC2)CC1 ZINC000267512012 1434442435 /nfs/dbraw/zinc/44/24/35/1434442435.db2.gz LZLOHKXCPKQAAE-UHFFFAOYSA-N 2 2 387.568 3.007 20 0 GGADLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000267569717 1434446584 /nfs/dbraw/zinc/44/65/84/1434446584.db2.gz ILSAYLSQMFFVHZ-WMQCIHAUSA-N 2 2 386.540 3.170 20 0 GGADLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000267569717 1434446586 /nfs/dbraw/zinc/44/65/86/1434446586.db2.gz ILSAYLSQMFFVHZ-WMQCIHAUSA-N 2 2 386.540 3.170 20 0 GGADLP COc1ccccc1[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCCC1 ZINC000268055293 1434491453 /nfs/dbraw/zinc/49/14/53/1434491453.db2.gz XRRGXCFZWYRTFZ-GOSISDBHSA-N 2 2 387.549 3.385 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1n1cc[nH+]c1 ZINC000268291219 1434509224 /nfs/dbraw/zinc/50/92/24/1434509224.db2.gz BJTYYFOSDPGHJC-KRXUUXHPSA-N 2 2 395.551 3.386 20 0 GGADLP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1n1cc[nH+]c1 ZINC000268291219 1434509227 /nfs/dbraw/zinc/50/92/27/1434509227.db2.gz BJTYYFOSDPGHJC-KRXUUXHPSA-N 2 2 395.551 3.386 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NC(=O)c3ccc(-n4cc[nH+]c4)cc3)nc2)CC1 ZINC000268699462 1434548351 /nfs/dbraw/zinc/54/83/51/1434548351.db2.gz GQIKXKPZBNVNOH-UHFFFAOYSA-N 2 2 390.491 3.050 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CSCCc4ccccc43)cc2)CC1 ZINC000268784225 1434556795 /nfs/dbraw/zinc/55/67/95/1434556795.db2.gz AQMKSRCCJWCVOG-JOCHJYFZSA-N 2 2 395.572 3.194 20 0 GGADLP C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc2c(c1)COC2 ZINC000268799877 1434558599 /nfs/dbraw/zinc/55/85/99/1434558599.db2.gz FUZKEMCWGZPMJI-SFHVURJKSA-N 2 2 382.504 3.279 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCSc4ccccc43)cc2)CC1 ZINC000268805797 1434559298 /nfs/dbraw/zinc/55/92/98/1434559298.db2.gz JEHRIBDQARNOND-FQEVSTJZSA-N 2 2 381.545 3.401 20 0 GGADLP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cc(F)c(F)c(F)c1 ZINC000268805766 1434559414 /nfs/dbraw/zinc/55/94/14/1434559414.db2.gz IZKPUXASIXZAOW-CQSZACIVSA-N 2 2 391.437 3.342 20 0 GGADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268812753 1434560267 /nfs/dbraw/zinc/56/02/67/1434560267.db2.gz OWKOHWWCKUBRDR-ICSRJNTNSA-N 2 2 381.520 3.442 20 0 GGADLP COc1ccc(C)cc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268812753 1434560269 /nfs/dbraw/zinc/56/02/69/1434560269.db2.gz OWKOHWWCKUBRDR-ICSRJNTNSA-N 2 2 381.520 3.442 20 0 GGADLP C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000268817507 1434560755 /nfs/dbraw/zinc/56/07/55/1434560755.db2.gz QOJANZHSHXPAIG-GOSISDBHSA-N 2 2 390.487 3.196 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCOc4ccccc43)cc2)CC1 ZINC000268840514 1434563229 /nfs/dbraw/zinc/56/32/29/1434563229.db2.gz UDTQGLZUBLOTEM-NRFANRHFSA-N 2 2 379.504 3.078 20 0 GGADLP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1([NH+](C)C)Cc2ccccc2C1 ZINC000268851144 1434564473 /nfs/dbraw/zinc/56/44/73/1434564473.db2.gz BSCVFVGVOPGULO-OAHLLOKOSA-N 2 2 386.927 3.141 20 0 GGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000268879995 1434567319 /nfs/dbraw/zinc/56/73/19/1434567319.db2.gz HSWSNHKMGJMIQD-QAPCUYQASA-N 2 2 386.565 3.033 20 0 GGADLP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000268879995 1434567321 /nfs/dbraw/zinc/56/73/21/1434567321.db2.gz HSWSNHKMGJMIQD-QAPCUYQASA-N 2 2 386.565 3.033 20 0 GGADLP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)ccc1SC(F)F ZINC000268903886 1434569370 /nfs/dbraw/zinc/56/93/70/1434569370.db2.gz LJYVGOCDBDNOFG-TZMCWYRMSA-N 2 2 387.496 3.000 20 0 GGADLP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)ccc1SC(F)F ZINC000268903886 1434569371 /nfs/dbraw/zinc/56/93/71/1434569371.db2.gz LJYVGOCDBDNOFG-TZMCWYRMSA-N 2 2 387.496 3.000 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1)[NH+]1CCOCC1 ZINC000268964097 1434576246 /nfs/dbraw/zinc/57/62/46/1434576246.db2.gz YIRNBNYLGCRVCP-LMNJBCLMSA-N 2 2 386.540 3.028 20 0 GGADLP C[C@H](c1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1)[NH+]1CCOCC1 ZINC000268964097 1434576249 /nfs/dbraw/zinc/57/62/49/1434576249.db2.gz YIRNBNYLGCRVCP-LMNJBCLMSA-N 2 2 386.540 3.028 20 0 GGADLP CCc1nn(C)c(Cl)c1CNc1ccc(N2CCC([NH+](C)C)CC2)c[nH+]1 ZINC000269172368 1434601232 /nfs/dbraw/zinc/60/12/32/1434601232.db2.gz ZOPPMIZVWJBQMC-UHFFFAOYSA-N 2 2 376.936 3.173 20 0 GGADLP Cc1[nH+]ccn1CCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC000269196777 1434605507 /nfs/dbraw/zinc/60/55/07/1434605507.db2.gz GRCRQHDLZQXUID-VQTJNVASSA-N 2 2 378.480 3.006 20 0 GGADLP [NH3+]CCCn1ccc2cc(C(=O)NCc3cc[nH+]c(N4CCCCC4)c3)ccc21 ZINC000269239727 1434612488 /nfs/dbraw/zinc/61/24/88/1434612488.db2.gz QLZZGZMLXYPLCP-UHFFFAOYSA-N 2 2 391.519 3.305 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000269506136 1434654785 /nfs/dbraw/zinc/65/47/85/1434654785.db2.gz MZPVDYNVFPLCJI-IFMALSPDSA-N 2 2 393.535 3.090 20 0 GGADLP O=C(NCc1ccccc1Cn1cc[nH+]c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000269506136 1434654786 /nfs/dbraw/zinc/65/47/86/1434654786.db2.gz MZPVDYNVFPLCJI-IFMALSPDSA-N 2 2 393.535 3.090 20 0 GGADLP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000269531977 1434657160 /nfs/dbraw/zinc/65/71/60/1434657160.db2.gz WYHZJYQKPBCJEC-LJQANCHMSA-N 2 2 383.540 3.099 20 0 GGADLP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2Cn2cc[nH+]c2)C1 ZINC000269531977 1434657162 /nfs/dbraw/zinc/65/71/62/1434657162.db2.gz WYHZJYQKPBCJEC-LJQANCHMSA-N 2 2 383.540 3.099 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000270010875 1434693326 /nfs/dbraw/zinc/69/33/26/1434693326.db2.gz AKOCWFIRAWVXQB-LEWJYISDSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000270010875 1434693327 /nfs/dbraw/zinc/69/33/27/1434693327.db2.gz AKOCWFIRAWVXQB-LEWJYISDSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000270010879 1434693408 /nfs/dbraw/zinc/69/34/08/1434693408.db2.gz AKOCWFIRAWVXQB-NHCUHLMSSA-N 2 2 391.531 3.244 20 0 GGADLP COc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000270010879 1434693410 /nfs/dbraw/zinc/69/34/10/1434693410.db2.gz AKOCWFIRAWVXQB-NHCUHLMSSA-N 2 2 391.531 3.244 20 0 GGADLP CN(C(=O)c1ccc2nccnc2c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000270049823 1434696888 /nfs/dbraw/zinc/69/68/88/1434696888.db2.gz NCAVXKCNRWKVHW-FGZHOGPDSA-N 2 2 395.551 3.039 20 0 GGADLP CN(C(=O)c1ccc2nccnc2c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000270049823 1434696889 /nfs/dbraw/zinc/69/68/89/1434696889.db2.gz NCAVXKCNRWKVHW-FGZHOGPDSA-N 2 2 395.551 3.039 20 0 GGADLP C[NH+](C)[C@]1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCSC1 ZINC000270220721 1434714312 /nfs/dbraw/zinc/71/43/12/1434714312.db2.gz HGKRPEYKNHRSOD-NRFANRHFSA-N 2 2 397.548 3.161 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)NC1CC[NH+](C2CC2)CC1 ZINC000270347981 1434725446 /nfs/dbraw/zinc/72/54/46/1434725446.db2.gz PBFZGBWIRPYNAC-UHFFFAOYSA-N 2 2 377.492 3.350 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000270360432 1434726338 /nfs/dbraw/zinc/72/63/38/1434726338.db2.gz RIRUTUCFIZHPOP-UXHICEINSA-N 2 2 377.492 3.350 20 0 GGADLP O=C(Nc1cccc2c1CN(c1cccc[nH+]1)C2)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000270360432 1434726342 /nfs/dbraw/zinc/72/63/42/1434726342.db2.gz RIRUTUCFIZHPOP-UXHICEINSA-N 2 2 377.492 3.350 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270613645 1434750669 /nfs/dbraw/zinc/75/06/69/1434750669.db2.gz YVKXUKYKXWWQLL-DDUZABMNSA-N 2 2 393.894 3.056 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000270613645 1434750674 /nfs/dbraw/zinc/75/06/74/1434750674.db2.gz YVKXUKYKXWWQLL-DDUZABMNSA-N 2 2 393.894 3.056 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270613649 1434751248 /nfs/dbraw/zinc/75/12/48/1434751248.db2.gz YVKXUKYKXWWQLL-SIIHOXLZSA-N 2 2 393.894 3.056 20 0 GGADLP C[C@H](Cn1cc[nH+]c1)NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000270613649 1434751251 /nfs/dbraw/zinc/75/12/51/1434751251.db2.gz YVKXUKYKXWWQLL-SIIHOXLZSA-N 2 2 393.894 3.056 20 0 GGADLP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270904627 1434786569 /nfs/dbraw/zinc/78/65/69/1434786569.db2.gz NBEDIKXQOOUANR-HXUWFJFHSA-N 2 2 386.584 3.121 20 0 GGADLP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(C)c1 ZINC000270909518 1434787087 /nfs/dbraw/zinc/78/70/87/1434787087.db2.gz NTGMCGVKGWDYLF-HXUWFJFHSA-N 2 2 386.584 3.121 20 0 GGADLP CCOc1ccccc1C[N@H+](CCCn1cc[nH+]c1)Cc1cnc(N(C)C)nc1 ZINC000271052288 1434798734 /nfs/dbraw/zinc/79/87/34/1434798734.db2.gz WYERCAFLOOSBIL-UHFFFAOYSA-N 2 2 394.523 3.230 20 0 GGADLP CCOc1ccccc1C[N@@H+](CCCn1cc[nH+]c1)Cc1cnc(N(C)C)nc1 ZINC000271052288 1434798735 /nfs/dbraw/zinc/79/87/35/1434798735.db2.gz WYERCAFLOOSBIL-UHFFFAOYSA-N 2 2 394.523 3.230 20 0 GGADLP Cc1ccsc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC000271530075 1434832391 /nfs/dbraw/zinc/83/23/91/1434832391.db2.gz WOQPXOYRSBNFAE-IAGOWNOFSA-N 2 2 387.553 3.003 20 0 GGADLP CCOc1ccc(C[N@@H+](CCCc2nc(C)no2)CCCn2cc[nH+]c2)cc1 ZINC000271671743 1434843189 /nfs/dbraw/zinc/84/31/89/1434843189.db2.gz IHRFAZFSCREQFN-UHFFFAOYSA-N 2 2 383.496 3.498 20 0 GGADLP CCOc1ccc(C[N@H+](CCCc2nc(C)no2)CCCn2cc[nH+]c2)cc1 ZINC000271671743 1434843190 /nfs/dbraw/zinc/84/31/90/1434843190.db2.gz IHRFAZFSCREQFN-UHFFFAOYSA-N 2 2 383.496 3.498 20 0 GGADLP C[N@H+](CCCn1cc[nH+]c1)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000271751339 1434847912 /nfs/dbraw/zinc/84/79/12/1434847912.db2.gz YPWHSXSPDZQDDY-QFIPXVFZSA-N 2 2 379.504 3.372 20 0 GGADLP C[N@@H+](CCCn1cc[nH+]c1)C[C@H](O)COC(c1ccccc1)c1ccccc1 ZINC000271751339 1434847913 /nfs/dbraw/zinc/84/79/13/1434847913.db2.gz YPWHSXSPDZQDDY-QFIPXVFZSA-N 2 2 379.504 3.372 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+]CCc2coc(-c3ccc(C)cc3)n2)CC1 ZINC000271810265 1434852069 /nfs/dbraw/zinc/85/20/69/1434852069.db2.gz MYXGQXQBEZNERK-UHFFFAOYSA-N 2 2 385.508 3.200 20 0 GGADLP CCOc1cc(CCC[NH2+]C2CC[NH+](CCCC(=O)OC)CC2)ccc1OC ZINC000271813738 1434852276 /nfs/dbraw/zinc/85/22/76/1434852276.db2.gz NTAHXEJRGSCOOQ-UHFFFAOYSA-N 2 2 392.540 3.034 20 0 GGADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 ZINC000271835102 1434853786 /nfs/dbraw/zinc/85/37/86/1434853786.db2.gz RUFMFTZVPYGWEM-SFHVURJKSA-N 2 2 398.551 3.119 20 0 GGADLP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CC[NH+](CCCC(=O)OC)CC1 ZINC000271844901 1434854324 /nfs/dbraw/zinc/85/43/24/1434854324.db2.gz UNWWWMUCPHUQJQ-UHFFFAOYSA-N 3 2 375.557 3.036 20 0 GGADLP CC[NH+]1CCC([NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1 ZINC000271893749 1434857738 /nfs/dbraw/zinc/85/77/38/1434857738.db2.gz OYOPYFHXLRQQFA-GOSISDBHSA-N 2 2 383.458 3.270 20 0 GGADLP COCCc1nc(C)c([C@H](C)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)c[nH+]2)s1 ZINC000272172802 1434876061 /nfs/dbraw/zinc/87/60/61/1434876061.db2.gz DKJVHVDGOALXLO-WMLDXEAASA-N 2 2 389.569 3.349 20 0 GGADLP CCc1ccc([C@H]([NH2+]CCn2cc[nH+]c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000272230396 1434879965 /nfs/dbraw/zinc/87/99/65/1434879965.db2.gz DPDSJISJCYFRGO-NRFANRHFSA-N 2 2 383.517 3.228 20 0 GGADLP CS(=O)(=O)c1cccc([C@H]([NH2+]CCCn2cc[nH+]c2)c2ccc(F)cc2)c1 ZINC000272231635 1434880115 /nfs/dbraw/zinc/88/01/15/1434880115.db2.gz DWEQOWYODFWHLD-HXUWFJFHSA-N 2 2 387.480 3.195 20 0 GGADLP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)[C@H]2C1 ZINC000272239416 1434880726 /nfs/dbraw/zinc/88/07/26/1434880726.db2.gz AKXWZNIDJYTXMB-JXFKEZNVSA-N 2 2 377.492 3.160 20 0 GGADLP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc4c3CN(c3cccc[nH+]3)C4)[C@H]2C1 ZINC000272239416 1434880727 /nfs/dbraw/zinc/88/07/27/1434880727.db2.gz AKXWZNIDJYTXMB-JXFKEZNVSA-N 2 2 377.492 3.160 20 0 GGADLP Cc1cc2ncc([C@H](C)Nc3ccc(N4CC[C@@H]([NH+](C)C)C4)c[nH+]3)c(C)n2n1 ZINC000272259577 1434882174 /nfs/dbraw/zinc/88/21/74/1434882174.db2.gz LPUWMEBQUIZHKR-MAUKXSAKSA-N 2 2 379.512 3.055 20 0 GGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1cccc(N2CCOC2=O)c1 ZINC000272288740 1434884561 /nfs/dbraw/zinc/88/45/61/1434884561.db2.gz PSGIGFZIYDLZEV-JXFKEZNVSA-N 2 2 395.507 3.352 20 0 GGADLP Cc1cc2ncc([C@@H](C)Nc3ccc(N4CCC([NH+](C)C)CC4)c[nH+]3)c(C)n2n1 ZINC000272299133 1434885329 /nfs/dbraw/zinc/88/53/29/1434885329.db2.gz QZIWZDCJKICDLW-MRXNPFEDSA-N 2 2 393.539 3.445 20 0 GGADLP C[C@H](Nc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1)c1ccc(N2CCOC2=O)cc1 ZINC000272341457 1434888505 /nfs/dbraw/zinc/88/85/05/1434888505.db2.gz ZSHWSYXMLKHLFL-JXFKEZNVSA-N 2 2 395.507 3.352 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272350882 1434889423 /nfs/dbraw/zinc/88/94/23/1434889423.db2.gz YETOJTVCDFYTJV-CEWLAPEOSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272350882 1434889425 /nfs/dbraw/zinc/88/94/25/1434889425.db2.gz YETOJTVCDFYTJV-CEWLAPEOSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272350882 1434889426 /nfs/dbraw/zinc/88/94/26/1434889426.db2.gz YETOJTVCDFYTJV-CEWLAPEOSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272350882 1434889427 /nfs/dbraw/zinc/88/94/27/1434889427.db2.gz YETOJTVCDFYTJV-CEWLAPEOSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272351948 1434889603 /nfs/dbraw/zinc/88/96/03/1434889603.db2.gz YETOJTVCDFYTJV-TYPHKJRUSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)[nH+]cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272351948 1434889604 /nfs/dbraw/zinc/88/96/04/1434889604.db2.gz YETOJTVCDFYTJV-TYPHKJRUSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272351948 1434889607 /nfs/dbraw/zinc/88/96/07/1434889607.db2.gz YETOJTVCDFYTJV-TYPHKJRUSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](Nc1cc(N2CCC[C@@H](CO)C2)nc[nH+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272351948 1434889608 /nfs/dbraw/zinc/88/96/08/1434889608.db2.gz YETOJTVCDFYTJV-TYPHKJRUSA-N 2 2 395.551 3.008 20 0 GGADLP C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272453605 1434897376 /nfs/dbraw/zinc/89/73/76/1434897376.db2.gz GLQCOINIFZTARI-AZUAARDMSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@H](NC(=O)N1CCC(n2cc[nH+]c2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272453605 1434897377 /nfs/dbraw/zinc/89/73/77/1434897377.db2.gz GLQCOINIFZTARI-AZUAARDMSA-N 2 2 381.524 3.140 20 0 GGADLP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272477448 1434899028 /nfs/dbraw/zinc/89/90/28/1434899028.db2.gz LTTHRECJJRIQOF-CTNGQTDRSA-N 2 2 386.561 3.351 20 0 GGADLP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477448 1434899029 /nfs/dbraw/zinc/89/90/29/1434899029.db2.gz LTTHRECJJRIQOF-CTNGQTDRSA-N 2 2 386.561 3.351 20 0 GGADLP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272477455 1434899188 /nfs/dbraw/zinc/89/91/88/1434899188.db2.gz LTTHRECJJRIQOF-TZIWHRDSSA-N 2 2 386.561 3.351 20 0 GGADLP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272477455 1434899189 /nfs/dbraw/zinc/89/91/89/1434899189.db2.gz LTTHRECJJRIQOF-TZIWHRDSSA-N 2 2 386.561 3.351 20 0 GGADLP CC(C)[NH+]1CCN(c2ccc(-c3nc([C@@H]4C[N@@H+](C(C)C)CCO4)no3)cc2)CC1 ZINC000272672407 1434921326 /nfs/dbraw/zinc/92/13/26/1434921326.db2.gz QOBKCFWBVGYSPV-FQEVSTJZSA-N 2 2 399.539 3.049 20 0 GGADLP CC(C)[NH+]1CCN(c2ccc(-c3nc([C@@H]4C[N@H+](C(C)C)CCO4)no3)cc2)CC1 ZINC000272672407 1434921328 /nfs/dbraw/zinc/92/13/28/1434921328.db2.gz QOBKCFWBVGYSPV-FQEVSTJZSA-N 2 2 399.539 3.049 20 0 GGADLP CC(C)[NH+]1CCN(c2ccc(-c3nc([C@H]4C[N@@H+](C(C)C)CCO4)no3)cc2)CC1 ZINC000272672410 1434921373 /nfs/dbraw/zinc/92/13/73/1434921373.db2.gz QOBKCFWBVGYSPV-HXUWFJFHSA-N 2 2 399.539 3.049 20 0 GGADLP CC(C)[NH+]1CCN(c2ccc(-c3nc([C@H]4C[N@H+](C(C)C)CCO4)no3)cc2)CC1 ZINC000272672410 1434921374 /nfs/dbraw/zinc/92/13/74/1434921374.db2.gz QOBKCFWBVGYSPV-HXUWFJFHSA-N 2 2 399.539 3.049 20 0 GGADLP C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000272747438 1434927975 /nfs/dbraw/zinc/92/79/75/1434927975.db2.gz NBUABZYKQXJDPG-QUCCMNQESA-N 2 2 395.551 3.384 20 0 GGADLP C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000272747438 1434927977 /nfs/dbraw/zinc/92/79/77/1434927977.db2.gz NBUABZYKQXJDPG-QUCCMNQESA-N 2 2 395.551 3.384 20 0 GGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000272849169 1434935856 /nfs/dbraw/zinc/93/58/56/1434935856.db2.gz SIMNLLRJEMDBIG-JQHSSLGASA-N 2 2 395.511 3.052 20 0 GGADLP CC(C)[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1nc(-c2nc[nH]n2)no1 ZINC000272849169 1434935859 /nfs/dbraw/zinc/93/58/59/1434935859.db2.gz SIMNLLRJEMDBIG-JQHSSLGASA-N 2 2 395.511 3.052 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273376451 1434984415 /nfs/dbraw/zinc/98/44/15/1434984415.db2.gz BJTDTXOAGITUKL-DYXWJJEUSA-N 2 2 386.561 3.349 20 0 GGADLP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273376451 1434984418 /nfs/dbraw/zinc/98/44/18/1434984418.db2.gz BJTDTXOAGITUKL-DYXWJJEUSA-N 2 2 386.561 3.349 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274803499 1435093981 /nfs/dbraw/zinc/09/39/81/1435093981.db2.gz GABSXOMDVNBTNB-YLJYHZDGSA-N 2 2 397.519 3.143 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274803499 1435093983 /nfs/dbraw/zinc/09/39/83/1435093983.db2.gz GABSXOMDVNBTNB-YLJYHZDGSA-N 2 2 397.519 3.143 20 0 GGADLP CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274808969 1435094620 /nfs/dbraw/zinc/09/46/20/1435094620.db2.gz HLFYTSWNVCAEKA-VGSWGCGISA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000274808969 1435094622 /nfs/dbraw/zinc/09/46/22/1435094622.db2.gz HLFYTSWNVCAEKA-VGSWGCGISA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274808967 1435094654 /nfs/dbraw/zinc/09/46/54/1435094654.db2.gz HLFYTSWNVCAEKA-JTSKRJEESA-N 2 2 394.519 3.084 20 0 GGADLP CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000274808967 1435094656 /nfs/dbraw/zinc/09/46/56/1435094656.db2.gz HLFYTSWNVCAEKA-JTSKRJEESA-N 2 2 394.519 3.084 20 0 GGADLP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274812883 1435094842 /nfs/dbraw/zinc/09/48/42/1435094842.db2.gz IDGUHEUUYBNBQR-WSTZPKSXSA-N 2 2 383.540 3.291 20 0 GGADLP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274812883 1435094844 /nfs/dbraw/zinc/09/48/44/1435094844.db2.gz IDGUHEUUYBNBQR-WSTZPKSXSA-N 2 2 383.540 3.291 20 0 GGADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000274836404 1435096739 /nfs/dbraw/zinc/09/67/39/1435096739.db2.gz KZIRIMCCWFODKH-FPOVZHCZSA-N 2 2 375.557 3.155 20 0 GGADLP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)N(c2ccccc2)C(C)C)[C@@H](C)C1 ZINC000274836404 1435096741 /nfs/dbraw/zinc/09/67/41/1435096741.db2.gz KZIRIMCCWFODKH-FPOVZHCZSA-N 2 2 375.557 3.155 20 0 GGADLP CCOc1cc(C[NH2+]CCn2cc[nH+]c2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000274849411 1435097700 /nfs/dbraw/zinc/09/77/00/1435097700.db2.gz OQPKZEDZLANHAP-UHFFFAOYSA-N 2 2 399.447 3.030 20 0 GGADLP COC(=O)c1ccc(COc2ccc(C[NH2+]CCCn3cc[nH+]c3)cc2OC)o1 ZINC000274851125 1435097892 /nfs/dbraw/zinc/09/78/92/1435097892.db2.gz PGPLTVRKBFAGTH-UHFFFAOYSA-N 2 2 399.447 3.030 20 0 GGADLP C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274917755 1435103433 /nfs/dbraw/zinc/10/34/33/1435103433.db2.gz OQMQHMWDBQHQBK-KNQAVFIVSA-N 2 2 386.561 3.102 20 0 GGADLP C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274917755 1435103435 /nfs/dbraw/zinc/10/34/35/1435103435.db2.gz OQMQHMWDBQHQBK-KNQAVFIVSA-N 2 2 386.561 3.102 20 0 GGADLP C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(Cl)cn1 ZINC000274927793 1435104051 /nfs/dbraw/zinc/10/40/51/1435104051.db2.gz QEVUTWOGQLFJRL-INIZCTEOSA-N 2 2 375.900 3.297 20 0 GGADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncsc3-c3ccccc3)CC2)CC1 ZINC000275648155 1435156065 /nfs/dbraw/zinc/15/60/65/1435156065.db2.gz CHUYZZARORFCIT-UHFFFAOYSA-N 2 2 384.549 3.099 20 0 GGADLP Nc1cc[nH+]cc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000275770644 1435167548 /nfs/dbraw/zinc/16/75/48/1435167548.db2.gz LRJBXXLGTNKSGD-UHFFFAOYSA-N 2 2 378.398 3.031 20 0 GGADLP Nc1cc[nH+]cc1C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000275770644 1435167549 /nfs/dbraw/zinc/16/75/49/1435167549.db2.gz LRJBXXLGTNKSGD-UHFFFAOYSA-N 2 2 378.398 3.031 20 0 GGADLP COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(CC[NH+](C)C)cc2)c1C ZINC000276118703 1435192234 /nfs/dbraw/zinc/19/22/34/1435192234.db2.gz FYVOJABNZCPBEG-UHFFFAOYSA-N 2 2 384.524 3.153 20 0 GGADLP Cc1c([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cnn1C(C)C ZINC000276291745 1435202684 /nfs/dbraw/zinc/20/26/84/1435202684.db2.gz BKSLGHFLURAVLY-QGZVFWFLSA-N 2 2 383.540 3.011 20 0 GGADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000276457774 1435212299 /nfs/dbraw/zinc/21/22/99/1435212299.db2.gz WZSXNJRJVRDRRX-IBGZPJMESA-N 2 2 388.556 3.420 20 0 GGADLP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000276457776 1435212347 /nfs/dbraw/zinc/21/23/47/1435212347.db2.gz WZSXNJRJVRDRRX-LJQANCHMSA-N 2 2 388.556 3.420 20 0 GGADLP C[NH+](C)C1CCN(c2ccc(NCc3nccn3-c3ccccc3)[nH+]c2)CC1 ZINC000276549278 1435216965 /nfs/dbraw/zinc/21/69/65/1435216965.db2.gz JMQLPXGPGDDOMQ-UHFFFAOYSA-N 2 2 376.508 3.410 20 0 GGADLP C[C@H](c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1)[NH+]1[C@H](C)CC[C@H]1C ZINC000276867337 1435238673 /nfs/dbraw/zinc/23/86/73/1435238673.db2.gz DJAXLRLACWCPOL-BRWVUGGUSA-N 2 2 397.523 3.058 20 0 GGADLP C[C@H](c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000276867347 1435238682 /nfs/dbraw/zinc/23/86/82/1435238682.db2.gz DJAXLRLACWCPOL-IXDOHACOSA-N 2 2 397.523 3.058 20 0 GGADLP C[C@H](c1nc(-c2ccc(C(=O)N3CC[NH+](C)CC3)cc2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000276867347 1435238684 /nfs/dbraw/zinc/23/86/84/1435238684.db2.gz DJAXLRLACWCPOL-IXDOHACOSA-N 2 2 397.523 3.058 20 0 GGADLP CCn1nccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000276912719 1435242429 /nfs/dbraw/zinc/24/24/29/1435242429.db2.gz PGFLSOLBSFMDHO-NRSPTQNISA-N 2 2 395.551 3.041 20 0 GGADLP CCn1nccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1=O ZINC000276912719 1435242430 /nfs/dbraw/zinc/24/24/30/1435242430.db2.gz PGFLSOLBSFMDHO-NRSPTQNISA-N 2 2 395.551 3.041 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000276968867 1435248162 /nfs/dbraw/zinc/24/81/62/1435248162.db2.gz FNUCTMIQDIMBEO-IBGZPJMESA-N 2 2 389.519 3.309 20 0 GGADLP CCCn1cc[nH+]c1CCCN(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000277100443 1435261897 /nfs/dbraw/zinc/26/18/97/1435261897.db2.gz WBMDCJPMULVQCX-MRXNPFEDSA-N 2 2 377.558 3.232 20 0 GGADLP CN(C(=O)[C@@H]1CC(=O)c2ccccc21)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000277141333 1435267632 /nfs/dbraw/zinc/26/76/32/1435267632.db2.gz JUWHWJMOMRVVFU-VSKRKVRLSA-N 2 2 397.563 3.152 20 0 GGADLP CN(C(=O)[C@@H]1CC(=O)c2ccccc21)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000277141333 1435267634 /nfs/dbraw/zinc/26/76/34/1435267634.db2.gz JUWHWJMOMRVVFU-VSKRKVRLSA-N 2 2 397.563 3.152 20 0 GGADLP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C[C@H](C)O1 ZINC000277143210 1435268121 /nfs/dbraw/zinc/26/81/21/1435268121.db2.gz PNQRCBHOOVEBAF-WSTZPKSXSA-N 2 2 388.556 3.244 20 0 GGADLP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C[C@H](C)O1 ZINC000277143210 1435268123 /nfs/dbraw/zinc/26/81/23/1435268123.db2.gz PNQRCBHOOVEBAF-WSTZPKSXSA-N 2 2 388.556 3.244 20 0 GGADLP C[NH+](C)[C@H]1CCC[N@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000277236189 1435282908 /nfs/dbraw/zinc/28/29/08/1435282908.db2.gz PEHRKDDNDSJFQN-IBGZPJMESA-N 2 2 380.536 3.200 20 0 GGADLP C[NH+](C)[C@H]1CCC[N@@H+](CC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)CC1 ZINC000277236189 1435282912 /nfs/dbraw/zinc/28/29/12/1435282912.db2.gz PEHRKDDNDSJFQN-IBGZPJMESA-N 2 2 380.536 3.200 20 0 GGADLP C[NH+](C)Cc1ccc(-c2noc(-c3ccccc3C[NH+]3CCOCC3)n2)cc1 ZINC000277724424 1435324797 /nfs/dbraw/zinc/32/47/97/1435324797.db2.gz XGWFOKNVGIHKGY-UHFFFAOYSA-N 2 2 378.476 3.297 20 0 GGADLP C[NH+](C)Cc1nc(-c2ccccc2-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000277879863 1435338702 /nfs/dbraw/zinc/33/87/02/1435338702.db2.gz KSXQVPIHGFANNZ-UHFFFAOYSA-N 2 2 378.476 3.297 20 0 GGADLP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000278046462 1435353457 /nfs/dbraw/zinc/35/34/57/1435353457.db2.gz SQLDKIVMMOIBTM-GOSISDBHSA-N 2 2 388.537 3.307 20 0 GGADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000278257890 1435374027 /nfs/dbraw/zinc/37/40/27/1435374027.db2.gz XWSBFRIVTHVSQW-NRFANRHFSA-N 2 2 394.519 3.468 20 0 GGADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000278257890 1435374029 /nfs/dbraw/zinc/37/40/29/1435374029.db2.gz XWSBFRIVTHVSQW-NRFANRHFSA-N 2 2 394.519 3.468 20 0 GGADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000278257895 1435374164 /nfs/dbraw/zinc/37/41/64/1435374164.db2.gz XWSBFRIVTHVSQW-OAQYLSRUSA-N 2 2 394.519 3.468 20 0 GGADLP O=C(Nc1cccc(-c2[nH+]cc3n2CCCC3)c1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000278257895 1435374167 /nfs/dbraw/zinc/37/41/67/1435374167.db2.gz XWSBFRIVTHVSQW-OAQYLSRUSA-N 2 2 394.519 3.468 20 0 GGADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2cc(C(=O)OC)co2)CC1 ZINC000278341319 1435381527 /nfs/dbraw/zinc/38/15/27/1435381527.db2.gz XORJWTADHCEMKL-QGZVFWFLSA-N 2 2 385.508 3.055 20 0 GGADLP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000278512402 1435396150 /nfs/dbraw/zinc/39/61/50/1435396150.db2.gz BLFRXBUIFGXSDD-UHFFFAOYSA-N 2 2 381.476 3.465 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000278581006 1435402203 /nfs/dbraw/zinc/40/22/03/1435402203.db2.gz YEOMTQHXYPTSFV-WBVHZDCISA-N 2 2 375.513 3.027 20 0 GGADLP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000278581006 1435402204 /nfs/dbraw/zinc/40/22/04/1435402204.db2.gz YEOMTQHXYPTSFV-WBVHZDCISA-N 2 2 375.513 3.027 20 0 GGADLP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278839667 1435429579 /nfs/dbraw/zinc/42/95/79/1435429579.db2.gz JDHLMKMOPNKINQ-QGZVFWFLSA-N 2 2 396.535 3.112 20 0 GGADLP C[C@H](C(=O)NCc1ccccc1F)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278915196 1435439061 /nfs/dbraw/zinc/43/90/61/1435439061.db2.gz QWHXLWNOJJFBPI-MRXNPFEDSA-N 2 2 384.499 3.243 20 0 GGADLP C[NH+](C)[C@H](CNC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccco1 ZINC000279255912 1435477916 /nfs/dbraw/zinc/47/79/16/1435477916.db2.gz PZRPTAAICZBJJB-GOSISDBHSA-N 2 2 385.512 3.004 20 0 GGADLP Cc1[nH+]c[nH]c1CC(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279426836 1435498093 /nfs/dbraw/zinc/49/80/93/1435498093.db2.gz LYRYLNFKMGMQDS-KRWDZBQOSA-N 2 2 394.441 3.174 20 0 GGADLP Cc1[nH+]c[nH]c1CC(=O)N(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000279426836 1435498096 /nfs/dbraw/zinc/49/80/96/1435498096.db2.gz LYRYLNFKMGMQDS-KRWDZBQOSA-N 2 2 394.441 3.174 20 0 GGADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280295003 1435628578 /nfs/dbraw/zinc/62/85/78/1435628578.db2.gz NBALYOJPFNHFAX-JOCHJYFZSA-N 2 2 378.520 3.100 20 0 GGADLP c1ccc(OCC[NH+]2CCOCC2)c(C[NH2+][C@@H](c2cccnc2)C2CCC2)c1 ZINC000280851057 1435730676 /nfs/dbraw/zinc/73/06/76/1435730676.db2.gz MPWDCULGHXCNJT-HSZRJFAPSA-N 2 2 381.520 3.424 20 0 GGADLP CN(C(=O)Nc1cncc(F)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000281298842 1435802970 /nfs/dbraw/zinc/80/29/70/1435802970.db2.gz DBRFZVXTRKUPGD-OALUTQOASA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1cncc(F)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000281298842 1435802971 /nfs/dbraw/zinc/80/29/71/1435802971.db2.gz DBRFZVXTRKUPGD-OALUTQOASA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1cncc(F)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000281298850 1435803015 /nfs/dbraw/zinc/80/30/15/1435803015.db2.gz DBRFZVXTRKUPGD-RBUKOAKNSA-N 2 2 377.508 3.022 20 0 GGADLP CN(C(=O)Nc1cncc(F)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000281298850 1435803016 /nfs/dbraw/zinc/80/30/16/1435803016.db2.gz DBRFZVXTRKUPGD-RBUKOAKNSA-N 2 2 377.508 3.022 20 0 GGADLP Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000281504058 1435811521 /nfs/dbraw/zinc/81/15/21/1435811521.db2.gz GFHRLROVAHAMIZ-UHFFFAOYSA-N 2 2 386.446 3.043 20 0 GGADLP Cc1csc2nc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)cc(=O)n12 ZINC000282487846 1435849044 /nfs/dbraw/zinc/84/90/44/1435849044.db2.gz MGAXREQXCLGGCQ-LJQANCHMSA-N 2 2 396.560 3.455 20 0 GGADLP Cc1csc2nc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)cc(=O)n12 ZINC000282487846 1435849045 /nfs/dbraw/zinc/84/90/45/1435849045.db2.gz MGAXREQXCLGGCQ-LJQANCHMSA-N 2 2 396.560 3.455 20 0 GGADLP Cc1nc(-c2ccc(C(=O)NC3CC[NH+](C4CC[NH+](C)CC4)CC3)cc2)cs1 ZINC000282541748 1435850829 /nfs/dbraw/zinc/85/08/29/1435850829.db2.gz XPRKXFLJCGQWKO-UHFFFAOYSA-N 2 2 398.576 3.407 20 0 GGADLP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCN(c4cccc[nH+]4)CC3)cc2)CC1 ZINC000284351947 1436015449 /nfs/dbraw/zinc/01/54/49/1436015449.db2.gz MHUPDCSUBKPDCC-UHFFFAOYSA-N 3 2 380.536 3.313 20 0 GGADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCC5(CCCC[NH2+]5)CC4)c3C2)cc1 ZINC001164386882 718803040 /nfs/dbraw/zinc/80/30/40/718803040.db2.gz GOJIRIPYKBNQMW-UHFFFAOYSA-N 2 2 377.536 3.147 20 0 GGADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCC5(CCCC[NH2+]5)CC4)c3C2)cc1 ZINC001164386882 718803042 /nfs/dbraw/zinc/80/30/42/718803042.db2.gz GOJIRIPYKBNQMW-UHFFFAOYSA-N 2 2 377.536 3.147 20 0 GGADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCCC[C@H]4C4CC[NH2+]CC4)c3C2)cc1 ZINC001164419843 718891506 /nfs/dbraw/zinc/89/15/06/718891506.db2.gz RSGCKTCZMJOGDW-QHCPKHFHSA-N 2 2 391.563 3.393 20 0 GGADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCCC[C@H]4C4CC[NH2+]CC4)c3C2)cc1 ZINC001164419843 718891507 /nfs/dbraw/zinc/89/15/07/718891507.db2.gz RSGCKTCZMJOGDW-QHCPKHFHSA-N 2 2 391.563 3.393 20 0 GGADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCCC[C@@H]4C4CC[NH2+]CC4)c3C2)cc1 ZINC001164419840 718891573 /nfs/dbraw/zinc/89/15/73/718891573.db2.gz RSGCKTCZMJOGDW-HSZRJFAPSA-N 2 2 391.563 3.393 20 0 GGADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCCC[C@@H]4C4CC[NH2+]CC4)c3C2)cc1 ZINC001164419840 718891574 /nfs/dbraw/zinc/89/15/74/718891574.db2.gz RSGCKTCZMJOGDW-HSZRJFAPSA-N 2 2 391.563 3.393 20 0 GGADLP C[NH+]1CCN(c2cccc(N3CCC4(CC(=O)c5ccc(F)cc54)CC3)[nH+]2)CC1 ZINC001164424028 718937462 /nfs/dbraw/zinc/93/74/62/718937462.db2.gz MYBSJEXWCGGHGX-UHFFFAOYSA-N 2 2 394.494 3.097 20 0 GGADLP c1ccc(C[N@@H+]2CCc3ncnc(N4C[C@@H]5[NH2+]Cc6ccccc6[C@H]5C4)c3C2)cc1 ZINC001164425663 718941026 /nfs/dbraw/zinc/94/10/26/718941026.db2.gz XIGUURAYNMIUSI-QPPBQGQZSA-N 2 2 397.526 3.111 20 0 GGADLP c1ccc(C[N@H+]2CCc3ncnc(N4C[C@@H]5[NH2+]Cc6ccccc6[C@H]5C4)c3C2)cc1 ZINC001164425663 718941029 /nfs/dbraw/zinc/94/10/29/718941029.db2.gz XIGUURAYNMIUSI-QPPBQGQZSA-N 2 2 397.526 3.111 20 0 GGADLP [NH3+]C1CCN(c2cccc(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)[nH+]2)CC1 ZINC001164626713 719092345 /nfs/dbraw/zinc/09/23/45/719092345.db2.gz IOKXGACRBQYETL-IRLDBZIGSA-N 3 2 391.563 3.110 20 0 GGADLP [NH3+]C1CCN(c2cccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)[nH+]2)CC1 ZINC001164626713 719092350 /nfs/dbraw/zinc/09/23/50/719092350.db2.gz IOKXGACRBQYETL-IRLDBZIGSA-N 3 2 391.563 3.110 20 0 GGADLP Clc1ccc(C[NH+]2CCCC2)c(N2CCc3onc(Cn4cc[nH+]c4)c3C2)n1 ZINC001164676813 719564173 /nfs/dbraw/zinc/56/41/73/719564173.db2.gz GACNDNGYBCXJQE-UHFFFAOYSA-N 2 2 398.898 3.126 20 0 GGADLP Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c2c([nH+]1)CCC2 ZINC001164696245 719896495 /nfs/dbraw/zinc/89/64/95/719896495.db2.gz DSWFLVPKDODLNM-UHFFFAOYSA-N 2 2 384.549 3.207 20 0 GGADLP Cc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c2c([nH+]1)CCC2 ZINC001164696245 719896497 /nfs/dbraw/zinc/89/64/97/719896497.db2.gz DSWFLVPKDODLNM-UHFFFAOYSA-N 2 2 384.549 3.207 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2[nH+]ccc3ccccc32)CC1 ZINC001164821363 720298355 /nfs/dbraw/zinc/29/83/55/720298355.db2.gz KIMXLNMWBMEROJ-NHCUHLMSSA-N 2 2 378.520 3.146 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc3ccccc3c[nH+]2)CC1 ZINC001164826657 720302775 /nfs/dbraw/zinc/30/27/75/720302775.db2.gz WCKACLZOONJPGA-RTWAWAEBSA-N 2 2 378.520 3.146 20 0 GGADLP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(C(C)(C)C)c[nH+]2)CC1 ZINC001164831648 720354407 /nfs/dbraw/zinc/35/44/07/720354407.db2.gz ZKZJBRDQFYYCRT-UXHICEINSA-N 2 2 384.568 3.291 20 0 GGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc1NC(C)C ZINC001164837867 720505335 /nfs/dbraw/zinc/50/53/35/720505335.db2.gz QCHJSRSDRJRBKW-HSALFYBXSA-N 2 2 397.571 3.180 20 0 GGADLP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc1NC(C)C ZINC001164837867 720505340 /nfs/dbraw/zinc/50/53/40/720505340.db2.gz QCHJSRSDRJRBKW-HSALFYBXSA-N 2 2 397.571 3.180 20 0 GGADLP COc1ccc2cc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c2c1 ZINC001164736092 720577348 /nfs/dbraw/zinc/57/73/48/720577348.db2.gz BMHOQJGNDXLZRH-UHFFFAOYSA-N 2 2 377.492 3.098 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001164838128 720601973 /nfs/dbraw/zinc/60/19/73/720601973.db2.gz JRGSVBNHJCLOJA-HSALFYBXSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001164838128 720601982 /nfs/dbraw/zinc/60/19/82/720601982.db2.gz JRGSVBNHJCLOJA-HSALFYBXSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001164838130 720602693 /nfs/dbraw/zinc/60/26/93/720602693.db2.gz JRGSVBNHJCLOJA-SLFFLAALSA-N 2 2 382.556 3.483 20 0 GGADLP Cc1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)nc(C(C)C)[nH+]1 ZINC001164838130 720602695 /nfs/dbraw/zinc/60/26/95/720602695.db2.gz JRGSVBNHJCLOJA-SLFFLAALSA-N 2 2 382.556 3.483 20 0 GGADLP CCOC(=O)c1c(C)cc(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c1C ZINC001164863558 720971388 /nfs/dbraw/zinc/97/13/88/720971388.db2.gz WGPCQULYBGWRBB-KRWDZBQOSA-N 2 2 399.539 3.493 20 0 GGADLP CCOC(=O)c1c(C)cc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]c1C ZINC001164863558 720971390 /nfs/dbraw/zinc/97/13/90/720971390.db2.gz WGPCQULYBGWRBB-KRWDZBQOSA-N 2 2 399.539 3.493 20 0 GGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858883 720985693 /nfs/dbraw/zinc/98/56/93/720985693.db2.gz IWALLCMMWVHDND-IWAYRVGRSA-N 2 2 397.523 3.194 20 0 GGADLP COC(=O)/C=C/c1cc(C)c[nH+]c1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858883 720985711 /nfs/dbraw/zinc/98/57/11/720985711.db2.gz IWALLCMMWVHDND-IWAYRVGRSA-N 2 2 397.523 3.194 20 0 GGADLP CCc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)nc(C)[nH+]1 ZINC001164780862 721359570 /nfs/dbraw/zinc/35/95/70/721359570.db2.gz IHUSXHRWCNBYIB-JOCHJYFZSA-N 2 2 399.539 3.071 20 0 GGADLP CCc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)nc(C)[nH+]1 ZINC001164780862 721359574 /nfs/dbraw/zinc/35/95/74/721359574.db2.gz IHUSXHRWCNBYIB-JOCHJYFZSA-N 2 2 399.539 3.071 20 0 GGADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001164780056 721369982 /nfs/dbraw/zinc/36/99/82/721369982.db2.gz CUJJQRXWQOFPLM-JOCHJYFZSA-N 2 2 399.539 3.126 20 0 GGADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(C)[nH+]c(C)c3C)C2)C1 ZINC001164780056 721369984 /nfs/dbraw/zinc/36/99/84/721369984.db2.gz CUJJQRXWQOFPLM-JOCHJYFZSA-N 2 2 399.539 3.126 20 0 GGADLP Cc1cc2ccccc2c(N2CC[C@@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)[nH+]1 ZINC001164883530 721423829 /nfs/dbraw/zinc/42/38/29/721423829.db2.gz APELPEAYEFXTGT-ZJSXRUAMSA-N 2 2 394.563 3.309 20 0 GGADLP Cc1cc2ccccc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164883530 721423832 /nfs/dbraw/zinc/42/38/32/721423832.db2.gz APELPEAYEFXTGT-ZJSXRUAMSA-N 2 2 394.563 3.309 20 0 GGADLP Cc1cccc2cc[nH+]c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164898692 721442713 /nfs/dbraw/zinc/44/27/13/721442713.db2.gz WMAGQCBZJJEZOD-XUZZJYLKSA-N 2 2 394.563 3.309 20 0 GGADLP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc(F)c1C)CC2 ZINC001164789332 721462082 /nfs/dbraw/zinc/46/20/82/721462082.db2.gz WZPBVRHLLKKXCN-IBGZPJMESA-N 2 2 391.531 3.263 20 0 GGADLP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]ccc(F)c1C)CC2 ZINC001164789332 721462085 /nfs/dbraw/zinc/46/20/85/721462085.db2.gz WZPBVRHLLKKXCN-IBGZPJMESA-N 2 2 391.531 3.263 20 0 GGADLP CCc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc(C)[nH+]1 ZINC001164908066 721714311 /nfs/dbraw/zinc/71/43/11/721714311.db2.gz UYSZTOHMEGNPEN-FQEVSTJZSA-N 2 2 387.478 3.480 20 0 GGADLP CCc1cc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)nc(C)[nH+]1 ZINC001164908066 721714319 /nfs/dbraw/zinc/71/43/19/721714319.db2.gz UYSZTOHMEGNPEN-FQEVSTJZSA-N 2 2 387.478 3.480 20 0 GGADLP COc1ccc2c(C)cc(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)[nH+]c2c1 ZINC001165011329 721741647 /nfs/dbraw/zinc/74/16/47/721741647.db2.gz VLEITJMEKBQHCS-UHFFFAOYSA-N 2 2 396.535 3.075 20 0 GGADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c2c([nH+]1)CCC2 ZINC001165024929 721820541 /nfs/dbraw/zinc/82/05/41/721820541.db2.gz LIONJSZYOLRDGD-XJABCFGWSA-N 2 2 377.536 3.406 20 0 GGADLP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c2c([nH+]1)CCC2 ZINC001165024929 721820542 /nfs/dbraw/zinc/82/05/42/721820542.db2.gz LIONJSZYOLRDGD-XJABCFGWSA-N 2 2 377.536 3.406 20 0 GGADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(NC3CC3)cc[nH+]2)CC1 ZINC001165018283 721837709 /nfs/dbraw/zinc/83/77/09/721837709.db2.gz VVPIBMBVXKIXSF-UHFFFAOYSA-N 2 2 397.523 3.169 20 0 GGADLP COc1cccc(OC)c1C[NH+]1CCC(N(C)c2[nH+]cnc3c2ccn3C)CC1 ZINC001165023413 721839112 /nfs/dbraw/zinc/83/91/12/721839112.db2.gz WPBLIFIKPJQPLZ-UHFFFAOYSA-N 2 2 395.507 3.086 20 0 GGADLP Clc1ccc(C[NH+]2CCCC2)c(N2CC[NH+](CCc3ccccn3)CC2)n1 ZINC001165056345 722014554 /nfs/dbraw/zinc/01/45/54/722014554.db2.gz TVSIMDQNOZZDMO-UHFFFAOYSA-N 2 2 385.943 3.091 20 0 GGADLP Cc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH+]c2ccccc12 ZINC001165000313 722252918 /nfs/dbraw/zinc/25/29/18/722252918.db2.gz NWYCBRSYSKKTOD-UHFFFAOYSA-N 2 2 379.508 3.228 20 0 GGADLP Cc1cccc2c1cc[nH+]c2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002590 722253632 /nfs/dbraw/zinc/25/36/32/722253632.db2.gz RDAGVGUGVBXAKV-UHFFFAOYSA-N 2 2 379.508 3.228 20 0 GGADLP