smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)Cc1cc(N)cc(-c2ccccc2)c1[O-] ZINC000584611710 346692564 /nfs/dbraw/zinc/69/25/64/346692564.db2.gz OQWSYQVYQZGEJC-UHFFFAOYSA-N 0 3 270.376 3.483 10 10 CGCEHN CCOc1cccc(C[NH2+][C@H](CC)C(C)C)c1[O-] ZINC000042584859 369225984 /nfs/dbraw/zinc/22/59/84/369225984.db2.gz XZDPQTAZVCEMOG-CYBMUJFWSA-N 0 3 251.370 3.315 10 10 CGCEHN C[C@@H]1CN(Cc2ccccc2O)C[C@@H](c2ccccc2)O1 ZINC000245578874 376861137 /nfs/dbraw/zinc/86/11/37/376861137.db2.gz ALKRNGKTANWAHN-KDOFPFPSSA-N 0 3 283.371 3.354 10 10 CGCEHN C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(F)ccc1[O-] ZINC000248879358 377418364 /nfs/dbraw/zinc/41/83/64/377418364.db2.gz RLHBVWFKHSDTMO-OWRWGESLSA-N 0 3 279.355 3.140 10 10 CGCEHN Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000179949934 329213724 /nfs/dbraw/zinc/21/37/24/329213724.db2.gz IUVVDDCEMQSLBT-QGZVFWFLSA-N 0 3 282.387 3.387 10 10 CGCEHN Cc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000179949934 329213725 /nfs/dbraw/zinc/21/37/25/329213725.db2.gz IUVVDDCEMQSLBT-QGZVFWFLSA-N 0 3 282.387 3.387 10 10 CGCEHN C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccccc1[O-] ZINC000183540835 329248282 /nfs/dbraw/zinc/24/82/82/329248282.db2.gz HLZPOMGJZWOGPV-BPUTZDHNSA-N 0 3 285.391 3.423 10 10 CGCEHN Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1cc(F)ccc1[O-] ZINC000188128288 329364968 /nfs/dbraw/zinc/36/49/68/329364968.db2.gz RZAJQWPQVYSTLR-HNNXBMFYSA-N 0 3 287.334 3.453 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccccc1[O-] ZINC000248573211 329898393 /nfs/dbraw/zinc/89/83/93/329898393.db2.gz RYNOKULOAIBPEQ-CLWVCHIJSA-N 0 3 275.392 3.246 10 10 CGCEHN C[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000171606487 623178929 /nfs/dbraw/zinc/17/89/29/623178929.db2.gz LZNIHTCULZKWKX-LLVKDONJSA-N 0 3 295.448 3.333 10 10 CGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000092758221 370099839 /nfs/dbraw/zinc/09/98/39/370099839.db2.gz AJMISSUMDFZOJX-QGZVFWFLSA-N 0 3 282.387 3.387 10 10 CGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000092758221 370099846 /nfs/dbraw/zinc/09/98/46/370099846.db2.gz AJMISSUMDFZOJX-QGZVFWFLSA-N 0 3 282.387 3.387 10 10 CGCEHN Cc1cc(O)c(CN2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000171361455 372743225 /nfs/dbraw/zinc/74/32/25/372743225.db2.gz VMGPKGCIXKEMDF-INIZCTEOSA-N 0 3 285.391 3.080 10 10 CGCEHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000171361455 372743230 /nfs/dbraw/zinc/74/32/30/372743230.db2.gz VMGPKGCIXKEMDF-INIZCTEOSA-N 0 3 285.391 3.080 10 10 CGCEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000171361455 372743236 /nfs/dbraw/zinc/74/32/36/372743236.db2.gz VMGPKGCIXKEMDF-INIZCTEOSA-N 0 3 285.391 3.080 10 10 CGCEHN COc1cccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1[O-] ZINC000245768355 376904998 /nfs/dbraw/zinc/90/49/98/376904998.db2.gz RGJKEMJLBZWVGY-UKRRQHHQSA-N 0 3 293.432 3.261 10 10 CGCEHN COc1cccc(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1[O-] ZINC000245768355 376905005 /nfs/dbraw/zinc/90/50/05/376905005.db2.gz RGJKEMJLBZWVGY-UKRRQHHQSA-N 0 3 293.432 3.261 10 10 CGCEHN Cc1ncsc1[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000037233649 173052304 /nfs/dbraw/zinc/05/23/04/173052304.db2.gz LMOMBFXLXIGVLY-NSHDSACASA-N 0 3 275.421 3.368 10 10 CGCEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038044173 174051331 /nfs/dbraw/zinc/05/13/31/174051331.db2.gz INSUKWMSFMMYCH-IHRRRGAJSA-N 0 3 275.392 3.265 10 10 CGCEHN COc1ccc([C@@H](C)[NH2+]CCCC(C)C)c([O-])c1 ZINC000038093537 174107631 /nfs/dbraw/zinc/10/76/31/174107631.db2.gz SUVRALDMNBACRS-GFCCVEGCSA-N 0 3 251.370 3.488 10 10 CGCEHN C[C@@H]([NH2+]CCc1ccsc1)c1ccc(O)cc1[O-] ZINC000042599064 174815969 /nfs/dbraw/zinc/81/59/69/174815969.db2.gz ASKBVPGDMOTFKP-SNVBAGLBSA-N 0 3 263.362 3.053 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCOC(C)(C)C1 ZINC000312064337 262347400 /nfs/dbraw/zinc/34/74/00/262347400.db2.gz DWJNUGCZCOGYQD-CQSZACIVSA-N 0 3 263.381 3.344 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCOC(C)(C)C1 ZINC000312064337 262347402 /nfs/dbraw/zinc/34/74/02/262347402.db2.gz DWJNUGCZCOGYQD-CQSZACIVSA-N 0 3 263.381 3.344 10 10 CGCEHN C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccccc1[O-] ZINC000183540803 329248332 /nfs/dbraw/zinc/24/83/32/329248332.db2.gz HLZPOMGJZWOGPV-IMJJTQAJSA-N 0 3 285.391 3.423 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c([O-])c1 ZINC000248521721 329891312 /nfs/dbraw/zinc/89/13/12/329891312.db2.gz RQFOJULHAJJZBZ-DDUYRFODSA-N 0 3 275.392 3.165 10 10 CGCEHN Cc1c(C)c(Br)c(C)c([C@H]([NH3+])C2CC2)c1[O-] ZINC000757143609 617793558 /nfs/dbraw/zinc/79/35/58/617793558.db2.gz DYOSCRPCQHUMOY-GFCCVEGCSA-N 0 3 284.197 3.490 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c([O-])c1 ZINC000248780899 377399794 /nfs/dbraw/zinc/39/97/94/377399794.db2.gz HYPURFQDIAWEFZ-RVSPLBMKSA-N 0 3 275.392 3.309 10 10 CGCEHN [O-]c1cc(O)ccc1C[NH2+]CCc1ccc(Cl)cc1 ZINC000020122550 171002833 /nfs/dbraw/zinc/00/28/33/171002833.db2.gz SYGREDBAQTWTEV-UHFFFAOYSA-N 0 3 277.751 3.084 10 10 CGCEHN C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1[O-] ZINC000020129333 171016857 /nfs/dbraw/zinc/01/68/57/171016857.db2.gz XIRDCARCYJDNQR-YOEHRIQHSA-N 0 3 284.403 3.346 10 10 CGCEHN COc1cccc(C[NH2+][C@H](C)c2cccs2)c1[O-] ZINC000020148293 171036383 /nfs/dbraw/zinc/03/63/83/171036383.db2.gz VKVURQHJJMAKFW-SNVBAGLBSA-N 0 3 263.362 3.313 10 10 CGCEHN COc1ccc([C@H](C)N[C@H](C)c2ccco2)c(O)c1 ZINC000035738603 172391976 /nfs/dbraw/zinc/39/19/76/172391976.db2.gz BOUKBOYWZAJJLK-WDEREUQCSA-N 0 3 261.321 3.406 10 10 CGCEHN COCc1cccc(C[NH2+][C@H](C)c2ccc(O)cc2[O-])c1 ZINC000038010562 173977116 /nfs/dbraw/zinc/97/71/16/173977116.db2.gz NJABXDVPYFYBKA-GFCCVEGCSA-N 0 3 287.359 3.095 10 10 CGCEHN Cc1c(C)c(Br)c(C)c([C@@H]([NH3+])C2CC2)c1[O-] ZINC000757143616 617793831 /nfs/dbraw/zinc/79/38/31/617793831.db2.gz DYOSCRPCQHUMOY-LBPRGKRZSA-N 0 3 284.197 3.490 10 10 CGCEHN C[C@@H]1CC(C[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000296433793 373132818 /nfs/dbraw/zinc/13/28/18/373132818.db2.gz MEZKHUOTROWCGD-LALPHHSUSA-N 0 3 275.392 3.173 10 10 CGCEHN CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1[O-] ZINC000248541619 377340551 /nfs/dbraw/zinc/34/05/51/377340551.db2.gz BZQDUGISPBIISC-JLJPHGGASA-N 0 3 275.392 3.391 10 10 CGCEHN Cc1ccc(O)c([C@H](C)N[C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000248491091 377330831 /nfs/dbraw/zinc/33/08/31/377330831.db2.gz INYOIWVPNVTLCK-JBBXEZCESA-N 0 3 283.371 3.010 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000248491091 377330837 /nfs/dbraw/zinc/33/08/37/377330837.db2.gz INYOIWVPNVTLCK-JBBXEZCESA-N 0 3 283.371 3.010 10 10 CGCEHN CN(C)c1ccc(CNCc2ccc(N(C)C)cc2)cc1 ZINC000020145994 171031806 /nfs/dbraw/zinc/03/18/06/171031806.db2.gz DSGUHCAJVNAUGY-UHFFFAOYSA-N 0 3 283.419 3.108 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000179566677 329209883 /nfs/dbraw/zinc/20/98/83/329209883.db2.gz ZLPYPNNZEGDKNY-INIZCTEOSA-N 0 3 268.360 3.079 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000179566677 329209884 /nfs/dbraw/zinc/20/98/84/329209884.db2.gz ZLPYPNNZEGDKNY-INIZCTEOSA-N 0 3 268.360 3.079 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1[O-] ZINC000248873570 329901138 /nfs/dbraw/zinc/90/11/38/329901138.db2.gz LGJRFLPQKIYTMV-MPTYRVRUSA-N 0 3 275.392 3.391 10 10 CGCEHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000061360305 526360909 /nfs/dbraw/zinc/36/09/09/526360909.db2.gz ANQSXUWUYWVCDG-LBPRGKRZSA-N 0 3 275.373 3.327 10 10 CGCEHN CN(C)c1ccc([C@@H](N)C(C)(C)C(=O)OC(C)(C)C)cc1 ZINC000536959837 346650391 /nfs/dbraw/zinc/65/03/91/346650391.db2.gz VORYKLRZWXZDNO-CQSZACIVSA-N 0 3 292.423 3.120 10 10 CGCEHN COc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2)c([O-])c1 ZINC000020128038 171014558 /nfs/dbraw/zinc/01/45/58/171014558.db2.gz RTYWBIOSPWUUOV-NEPJUHHUSA-N 0 3 272.348 3.208 10 10 CGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000248483722 329894622 /nfs/dbraw/zinc/89/46/22/329894622.db2.gz CXGHDKAFHVDVLV-QDFMMOOJSA-N 0 3 291.391 3.009 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccccc1[O-] ZINC000248873569 329901230 /nfs/dbraw/zinc/90/12/30/329901230.db2.gz LGJRFLPQKIYTMV-LJIGWXMPSA-N 0 3 275.392 3.391 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN2CCC[C@H]2C1 ZINC000251301353 334359500 /nfs/dbraw/zinc/35/95/00/334359500.db2.gz TWOPCOLIONUUOK-HOCLYGCPSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN2CCC[C@H]2C1 ZINC000251301353 334359501 /nfs/dbraw/zinc/35/95/01/334359501.db2.gz TWOPCOLIONUUOK-HOCLYGCPSA-N 0 3 274.408 3.013 10 10 CGCEHN CCCC[C@@H](C)[NH2+]Cc1cccc(OCC)c1[O-] ZINC000050886969 521008203 /nfs/dbraw/zinc/00/82/03/521008203.db2.gz XTQDJGSVOUEZJR-GFCCVEGCSA-N 0 3 251.370 3.459 10 10 CGCEHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCc2ccccc21 ZINC000226583507 622984094 /nfs/dbraw/zinc/98/40/94/622984094.db2.gz HBPBZNVIKBRCCX-HNNXBMFYSA-N 0 3 257.308 3.308 10 10 CGCEHN CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000122934349 392425392 /nfs/dbraw/zinc/42/53/92/392425392.db2.gz RFYUYOQTBUDJQB-INIZCTEOSA-N 0 3 299.418 3.297 10 10 CGCEHN CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000122934349 392425401 /nfs/dbraw/zinc/42/54/01/392425401.db2.gz RFYUYOQTBUDJQB-INIZCTEOSA-N 0 3 299.418 3.297 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)c([O-])c1 ZINC000186101714 262080135 /nfs/dbraw/zinc/08/01/35/262080135.db2.gz PMMVVOOCVZTRHT-OFQRWUPVSA-N 0 3 276.424 3.080 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCOCC12CCCC2 ZINC000377542342 288167492 /nfs/dbraw/zinc/16/74/92/288167492.db2.gz NYEHSNXOSWOVOV-OAHLLOKOSA-N 0 3 275.392 3.488 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCOCC12CCCC2 ZINC000377542342 288167494 /nfs/dbraw/zinc/16/74/94/288167494.db2.gz NYEHSNXOSWOVOV-OAHLLOKOSA-N 0 3 275.392 3.488 10 10 CGCEHN C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000183591904 329250711 /nfs/dbraw/zinc/25/07/11/329250711.db2.gz BBTZTELSMOCWTB-DOMZBBRYSA-N 0 3 296.370 3.169 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H]2CCCN2C[C@H]1C ZINC000251236995 334358588 /nfs/dbraw/zinc/35/85/88/334358588.db2.gz LJQQYYIKUGDVOA-IIAWOOMASA-N 0 3 274.408 3.012 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H]2CCCN2C[C@H]1C ZINC000251236995 334358589 /nfs/dbraw/zinc/35/85/89/334358589.db2.gz LJQQYYIKUGDVOA-IIAWOOMASA-N 0 3 274.408 3.012 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251234633 334358620 /nfs/dbraw/zinc/35/86/20/334358620.db2.gz KZEVYPXGCVHLAO-UAGQMJEPSA-N 0 3 288.435 3.259 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H]2[C@@H](CCCN2C)C1 ZINC000251234633 334358621 /nfs/dbraw/zinc/35/86/21/334358621.db2.gz KZEVYPXGCVHLAO-UAGQMJEPSA-N 0 3 288.435 3.259 10 10 CGCEHN Cc1cc([O-])c([C@@H]([NH3+])C2CC2)c(C)c1Br ZINC000095712121 619286503 /nfs/dbraw/zinc/28/65/03/619286503.db2.gz UYYRRSUYCXRZOX-LBPRGKRZSA-N 0 3 270.170 3.181 10 10 CGCEHN Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)c1 ZINC000123081484 370910264 /nfs/dbraw/zinc/91/02/64/370910264.db2.gz ZKFQXLTUBUDLRV-MRXNPFEDSA-N 0 3 285.391 3.043 10 10 CGCEHN Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)c1 ZINC000123081484 370910272 /nfs/dbraw/zinc/91/02/72/370910272.db2.gz ZKFQXLTUBUDLRV-MRXNPFEDSA-N 0 3 285.391 3.043 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H]2CCCN2C[C@@H]1C ZINC000211594217 260026780 /nfs/dbraw/zinc/02/67/80/260026780.db2.gz LJQQYYIKUGDVOA-OFQRWUPVSA-N 0 3 274.408 3.012 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H]2CCCN2C[C@@H]1C ZINC000211594217 260026782 /nfs/dbraw/zinc/02/67/82/260026782.db2.gz LJQQYYIKUGDVOA-OFQRWUPVSA-N 0 3 274.408 3.012 10 10 CGCEHN COc1ccc([O-])c(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000020148658 171036998 /nfs/dbraw/zinc/03/69/98/171036998.db2.gz QJZAZVCKTRWBGA-JTQLQIEISA-N 0 3 263.362 3.313 10 10 CGCEHN COc1ccc([C@@H](C)N[C@H](C)c2ccco2)c(O)c1 ZINC000035738605 172391270 /nfs/dbraw/zinc/39/12/70/172391270.db2.gz BOUKBOYWZAJJLK-GHMZBOCLSA-N 0 3 261.321 3.406 10 10 CGCEHN CN1CCC(Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000039612948 174170700 /nfs/dbraw/zinc/17/07/00/174170700.db2.gz HUPVUUCJOYMIKU-UHFFFAOYSA-N 0 3 294.398 3.424 10 10 CGCEHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NCc1ccnc(C)n1 ZINC000038037454 280920820 /nfs/dbraw/zinc/92/08/20/280920820.db2.gz HPSHJQALPIUYQV-FZMZJTMJSA-N 0 3 283.375 3.137 10 10 CGCEHN Cc1cnn(CC[NH2+][C@H](C)c2cc3c(cc2[O-])CCCC3)c1 ZINC000185843446 327847463 /nfs/dbraw/zinc/84/74/63/327847463.db2.gz ATHPHDALLKQZIL-CQSZACIVSA-N 0 3 299.418 3.127 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000180025332 329214648 /nfs/dbraw/zinc/21/46/48/329214648.db2.gz LPCLGMKWLOGCKO-MRXNPFEDSA-N 0 3 286.350 3.218 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000180025332 329214649 /nfs/dbraw/zinc/21/46/49/329214649.db2.gz LPCLGMKWLOGCKO-MRXNPFEDSA-N 0 3 286.350 3.218 10 10 CGCEHN COc1cccc(CN[C@H]2CCOc3c(C)cccc32)c1O ZINC000188946146 329375902 /nfs/dbraw/zinc/37/59/02/329375902.db2.gz CYFPQBWEBVVXHT-HNNXBMFYSA-N 0 3 299.370 3.323 10 10 CGCEHN CCN(CC(C)C)c1c(F)cc(CNC)cc1F ZINC000062710364 520414145 /nfs/dbraw/zinc/41/41/45/520414145.db2.gz ZVFDNDZEEXIPQQ-UHFFFAOYSA-N 0 3 256.340 3.167 10 10 CGCEHN [O-]c1ccc2ccccc2c1C[NH2+]C[C@H]1CCCCO1 ZINC000042811961 526356677 /nfs/dbraw/zinc/35/66/77/526356677.db2.gz PADGTSSJRKIJAU-CQSZACIVSA-N 0 3 271.360 3.204 10 10 CGCEHN C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000281582215 379840103 /nfs/dbraw/zinc/84/01/03/379840103.db2.gz LCQDOUXKQSAOHN-JHJVBQTASA-N 0 3 263.381 3.246 10 10 CGCEHN COc1ccc(O)c(CN[C@H]2CCOc3c(C)cccc32)c1 ZINC000188128388 329364977 /nfs/dbraw/zinc/36/49/77/329364977.db2.gz VJCGHWORDDNYDJ-INIZCTEOSA-N 0 3 299.370 3.323 10 10 CGCEHN C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1[O-] ZINC000248923782 329902483 /nfs/dbraw/zinc/90/24/83/329902483.db2.gz WXAGJGFVKDYSNM-NORZTCDRSA-N 0 3 261.365 3.000 10 10 CGCEHN C[C@H](C[N@@H+]1CCc2cccc([O-])c2C1)OCc1ccccc1 ZINC000090769597 180037645 /nfs/dbraw/zinc/03/76/45/180037645.db2.gz IFIQZMQQYONDMM-OAHLLOKOSA-N 0 3 297.398 3.356 10 10 CGCEHN C[C@H](C[N@H+]1CCc2cccc([O-])c2C1)OCc1ccccc1 ZINC000090769597 180037646 /nfs/dbraw/zinc/03/76/46/180037646.db2.gz IFIQZMQQYONDMM-OAHLLOKOSA-N 0 3 297.398 3.356 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@@]12CCOC2 ZINC000311771957 374255917 /nfs/dbraw/zinc/25/59/17/374255917.db2.gz GPGPFIZROVECDB-ZBFHGGJFSA-N 0 3 261.365 3.098 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@@]12CCOC2 ZINC000311771957 374255923 /nfs/dbraw/zinc/25/59/23/374255923.db2.gz GPGPFIZROVECDB-ZBFHGGJFSA-N 0 3 261.365 3.098 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCOCC12CCCC2 ZINC000377542341 392885325 /nfs/dbraw/zinc/88/53/25/392885325.db2.gz NYEHSNXOSWOVOV-HNNXBMFYSA-N 0 3 275.392 3.488 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCOCC12CCCC2 ZINC000377542341 392885330 /nfs/dbraw/zinc/88/53/30/392885330.db2.gz NYEHSNXOSWOVOV-HNNXBMFYSA-N 0 3 275.392 3.488 10 10 CGCEHN C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1[O-] ZINC000248384704 329890683 /nfs/dbraw/zinc/89/06/83/329890683.db2.gz FUSPAUQZVVUQBV-XEZPLFJOSA-N 0 3 293.432 3.098 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)c([O-])c1 ZINC000248532664 329891247 /nfs/dbraw/zinc/89/12/47/329891247.db2.gz YRCWWZITMZOFDK-ULFGMLNVSA-N 0 3 283.371 3.010 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251254879 334358930 /nfs/dbraw/zinc/35/89/30/334358930.db2.gz NBTXOIXRJACKQG-GOEBONIOSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCN2CCCC[C@H]2C1 ZINC000251254879 334358931 /nfs/dbraw/zinc/35/89/31/334358931.db2.gz NBTXOIXRJACKQG-GOEBONIOSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@@H]1CCCN1c1c(F)cc(CNC)cc1F ZINC000062711507 523271134 /nfs/dbraw/zinc/27/11/34/523271134.db2.gz WJULSRHKWHGBNE-LLVKDONJSA-N 0 3 254.324 3.063 10 10 CGCEHN Cc1ccc([O-])c(C[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000071406468 525355096 /nfs/dbraw/zinc/35/50/96/525355096.db2.gz MBHDANYSNMAEMR-QGZVFWFLSA-N 0 3 284.403 3.093 10 10 CGCEHN COc1cccc(CN[C@@H](C)c2cccc(F)c2)c1O ZINC000020147870 171035190 /nfs/dbraw/zinc/03/51/90/171035190.db2.gz UOPQSILRJPQNSX-NSHDSACASA-N 0 3 275.323 3.391 10 10 CGCEHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NCc1ccnc(C)n1 ZINC000038037453 174038147 /nfs/dbraw/zinc/03/81/47/174038147.db2.gz HPSHJQALPIUYQV-RISCZKNCSA-N 0 3 283.375 3.137 10 10 CGCEHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000037167032 260071802 /nfs/dbraw/zinc/07/18/02/260071802.db2.gz RFCWZLORMDXSTN-ZIAGYGMSSA-N 0 3 294.439 3.028 10 10 CGCEHN Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)c1 ZINC000152909155 261071312 /nfs/dbraw/zinc/07/13/12/261071312.db2.gz LFVXOBROPHNUQY-KRWDZBQOSA-N 0 3 299.418 3.351 10 10 CGCEHN Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)c1 ZINC000152909155 261071313 /nfs/dbraw/zinc/07/13/13/261071313.db2.gz LFVXOBROPHNUQY-KRWDZBQOSA-N 0 3 299.418 3.351 10 10 CGCEHN CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1[O-] ZINC000088164184 327016843 /nfs/dbraw/zinc/01/68/43/327016843.db2.gz PIUJMTCHKZUFQX-BTFYYFJDSA-N 0 3 288.435 3.448 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c([O-])c1 ZINC000185466379 329274061 /nfs/dbraw/zinc/27/40/61/329274061.db2.gz YRCWWZITMZOFDK-XZOAIXRZSA-N 0 3 283.371 3.010 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1[O-] ZINC000248541621 329891440 /nfs/dbraw/zinc/89/14/40/329891440.db2.gz BZQDUGISPBIISC-UKPHBRMFSA-N 0 3 275.392 3.391 10 10 CGCEHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000226581998 333265220 /nfs/dbraw/zinc/26/52/20/333265220.db2.gz DEAPDPLJGFUBPV-AWEZNQCLSA-N 0 3 273.307 3.145 10 10 CGCEHN CNCc1cc(F)c(N2C[C@@H](C)C[C@H](C)C2)c(F)c1 ZINC000062709574 522115464 /nfs/dbraw/zinc/11/54/64/522115464.db2.gz KIWFCYKELIMMDO-QWRGUYRKSA-N 0 3 268.351 3.167 10 10 CGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000092758219 370100589 /nfs/dbraw/zinc/10/05/89/370100589.db2.gz AJMISSUMDFZOJX-KRWDZBQOSA-N 0 3 282.387 3.387 10 10 CGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000092758219 370100594 /nfs/dbraw/zinc/10/05/94/370100594.db2.gz AJMISSUMDFZOJX-KRWDZBQOSA-N 0 3 282.387 3.387 10 10 CGCEHN Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC000020126146 171009438 /nfs/dbraw/zinc/00/94/38/171009438.db2.gz HJTWBFMBFFFHRK-GFCCVEGCSA-N 0 3 257.333 3.257 10 10 CGCEHN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)c([O-])c1 ZINC000020128035 171014905 /nfs/dbraw/zinc/01/49/05/171014905.db2.gz RTYWBIOSPWUUOV-NWDGAFQWSA-N 0 3 272.348 3.208 10 10 CGCEHN Oc1ccc(CN[C@H]2CCCc3ccccc32)cc1O ZINC000020133478 171021240 /nfs/dbraw/zinc/02/12/40/171021240.db2.gz VOOKNTNVXAQLHM-HNNXBMFYSA-N 0 3 269.344 3.265 10 10 CGCEHN C[C@@H](c1ccccc1[O-])[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032526 274278202 /nfs/dbraw/zinc/27/82/02/274278202.db2.gz FPVPXKMQRVJEFT-LBPRGKRZSA-N 0 3 268.360 3.094 10 10 CGCEHN C[C@@H](c1ccccc1[O-])[N@H+]1CCc2c(N)cccc2C1 ZINC000038032526 274278206 /nfs/dbraw/zinc/27/82/06/274278206.db2.gz FPVPXKMQRVJEFT-LBPRGKRZSA-N 0 3 268.360 3.094 10 10 CGCEHN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179572661 329209764 /nfs/dbraw/zinc/20/97/64/329209764.db2.gz DUEHNJKHUANLLR-OAHLLOKOSA-N 0 3 285.391 3.080 10 10 CGCEHN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179572661 329209765 /nfs/dbraw/zinc/20/97/65/329209765.db2.gz DUEHNJKHUANLLR-OAHLLOKOSA-N 0 3 285.391 3.080 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248750668 329898705 /nfs/dbraw/zinc/89/87/05/329898705.db2.gz FTMGZAVWFCJSOX-RVSPLBMKSA-N 0 3 275.392 3.309 10 10 CGCEHN C[NH+](C)Cc1ccc(NCc2cccc(F)c2[O-])cc1 ZINC000165015624 331305658 /nfs/dbraw/zinc/30/56/58/331305658.db2.gz OURHWQGPDZNKBG-UHFFFAOYSA-N 0 3 274.339 3.205 10 10 CGCEHN Cc1ccccc1[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879444 525414411 /nfs/dbraw/zinc/41/44/11/525414411.db2.gz SWOKIWAZIGXGQG-LBPRGKRZSA-N 0 3 285.343 3.280 10 10 CGCEHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000061359867 526345600 /nfs/dbraw/zinc/34/56/00/526345600.db2.gz TXIJUJLZBRTSOT-CYBMUJFWSA-N 0 3 275.373 3.327 10 10 CGCEHN Cc1cc([O-])c([C@H]([NH3+])C2CC2)c(C)c1Br ZINC000095717474 619286809 /nfs/dbraw/zinc/28/68/09/619286809.db2.gz UYYRRSUYCXRZOX-GFCCVEGCSA-N 0 3 270.170 3.181 10 10 CGCEHN CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617576 640798723 /nfs/dbraw/zinc/79/87/23/640798723.db2.gz YMEOZJAZWSQVIE-GXTWGEPZSA-N 0 3 282.403 3.158 10 10 CGCEHN COc1ccc([C@@H]([NH2+]C2CC2)c2ccccc2)c([O-])c1 ZINC000022147128 171357169 /nfs/dbraw/zinc/35/71/69/171357169.db2.gz PCPSAOZJCYTVGH-KRWDZBQOSA-N 0 3 269.344 3.242 10 10 CGCEHN COc1ccc([C@H](C)N[C@@H](C)c2ccco2)c(O)c1 ZINC000035738599 172392045 /nfs/dbraw/zinc/39/20/45/172392045.db2.gz BOUKBOYWZAJJLK-QWRGUYRKSA-N 0 3 261.321 3.406 10 10 CGCEHN CC[C@H]([NH2+]Cc1ncccc1C)c1ccccc1[O-] ZINC000071339311 176130035 /nfs/dbraw/zinc/13/00/35/176130035.db2.gz YSYRYOFLQHBLEL-AWEZNQCLSA-N 0 3 256.349 3.337 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c([O-])c1 ZINC000248521723 329891236 /nfs/dbraw/zinc/89/12/36/329891236.db2.gz RQFOJULHAJJZBZ-ZCDTZLGTSA-N 0 3 275.392 3.165 10 10 CGCEHN COc1ccc(O)c(CN[C@@H]2CCOc3ccccc32)c1 ZINC000037074232 524756599 /nfs/dbraw/zinc/75/65/99/524756599.db2.gz SCHWYZCDAPZPLK-OAHLLOKOSA-N 0 3 285.343 3.014 10 10 CGCEHN N#[N+]C=C([O-])c1ccccc1Sc1ccccc1 ZINC000584603990 534975051 /nfs/dbraw/zinc/97/50/51/534975051.db2.gz ZCQIZHDMUSLPHD-UHFFFAOYSA-N 0 3 254.314 3.321 10 10 CGCEHN C[C@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000171606472 623179516 /nfs/dbraw/zinc/17/95/16/623179516.db2.gz VBGHANUHDUZXCG-LBPRGKRZSA-N 0 3 273.401 3.483 10 10 CGCEHN C[C@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000171606472 623179521 /nfs/dbraw/zinc/17/95/21/623179521.db2.gz VBGHANUHDUZXCG-LBPRGKRZSA-N 0 3 273.401 3.483 10 10 CGCEHN COc1cccc(CN2CCC[C@H]2c2ccco2)c1O ZINC000093335281 370118681 /nfs/dbraw/zinc/11/86/81/370118681.db2.gz IPQLTKLTSRNHRY-ZDUSSCGKSA-N 0 3 273.332 3.331 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245578979 376859870 /nfs/dbraw/zinc/85/98/70/376859870.db2.gz ANSRTAGCJGKQFQ-UKRRQHHQSA-N 0 3 263.406 3.252 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245578979 376859875 /nfs/dbraw/zinc/85/98/75/376859875.db2.gz ANSRTAGCJGKQFQ-UKRRQHHQSA-N 0 3 263.406 3.252 10 10 CGCEHN C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1[O-] ZINC000248384705 377301173 /nfs/dbraw/zinc/30/11/73/377301173.db2.gz FUSPAUQZVVUQBV-ZENOOKHLSA-N 0 3 293.432 3.098 10 10 CGCEHN CN(C)c1ccc(CN2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093437870 392237020 /nfs/dbraw/zinc/23/70/20/392237020.db2.gz BVLJGQFKNMPIOG-QGZVFWFLSA-N 0 3 284.407 3.203 10 10 CGCEHN CN(C)c1ccc(CN[C@H]2CCOc3ccccc32)cc1 ZINC000020146122 171032010 /nfs/dbraw/zinc/03/20/10/171032010.db2.gz PYSCYJFXTMPQRT-KRWDZBQOSA-N 0 3 282.387 3.366 10 10 CGCEHN CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037167216 173001717 /nfs/dbraw/zinc/00/17/17/173001717.db2.gz RPNKYNMWBLGRTC-ZIAGYGMSSA-N 0 3 264.413 3.019 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccccc1[O-] ZINC000187274791 329356309 /nfs/dbraw/zinc/35/63/09/329356309.db2.gz VYSOSTKMIPCECE-HLPPOEQASA-N 0 3 261.365 3.000 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c([O-])c1 ZINC000248780895 329899135 /nfs/dbraw/zinc/89/91/35/329899135.db2.gz HYPURFQDIAWEFZ-DXCKQFNASA-N 0 3 275.392 3.309 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000217824128 333124132 /nfs/dbraw/zinc/12/41/32/333124132.db2.gz BXAMRXCSZDJDHQ-HLLBOEOZSA-N 0 3 275.392 3.487 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000217824128 333124134 /nfs/dbraw/zinc/12/41/34/333124134.db2.gz BXAMRXCSZDJDHQ-HLLBOEOZSA-N 0 3 275.392 3.487 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228155884 333295989 /nfs/dbraw/zinc/29/59/89/333295989.db2.gz BXAMRXCSZDJDHQ-BFYDXBDKSA-N 0 3 275.392 3.487 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228155884 333295990 /nfs/dbraw/zinc/29/59/90/333295990.db2.gz BXAMRXCSZDJDHQ-BFYDXBDKSA-N 0 3 275.392 3.487 10 10 CGCEHN CNCc1cc(F)c(N2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC000062709571 522115481 /nfs/dbraw/zinc/11/54/81/522115481.db2.gz KIWFCYKELIMMDO-PHIMTYICSA-N 0 3 268.351 3.167 10 10 CGCEHN Cc1cc(O)c(CN2CCO[C@H]3CCCC[C@H]32)cc1C ZINC000251077019 640820842 /nfs/dbraw/zinc/82/08/42/640820842.db2.gz PYHIMYFEIINFQW-WBVHZDCISA-N 0 3 275.392 3.152 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000248489029 377330810 /nfs/dbraw/zinc/33/08/10/377330810.db2.gz HDADHRVGFRBFOZ-LBEHMCEESA-N 0 3 275.392 3.309 10 10 CGCEHN COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)c([O-])c1 ZINC000020128037 171014321 /nfs/dbraw/zinc/01/43/21/171014321.db2.gz RTYWBIOSPWUUOV-VXGBXAGGSA-N 0 3 272.348 3.208 10 10 CGCEHN Cc1ncsc1[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000037233647 173052483 /nfs/dbraw/zinc/05/24/83/173052483.db2.gz LMOMBFXLXIGVLY-LLVKDONJSA-N 0 3 275.421 3.368 10 10 CGCEHN CCOc1cccc(CN[C@H]2COc3ccccc32)c1O ZINC000070070166 521375684 /nfs/dbraw/zinc/37/56/84/521375684.db2.gz MQXASKIQGZAYBW-AWEZNQCLSA-N 0 3 285.343 3.014 10 10 CGCEHN Cc1ccc(CN(C)CCOc2ccc(N)cc2)cc1 ZINC000036671483 344944812 /nfs/dbraw/zinc/94/48/12/344944812.db2.gz WJCLGSVTSWGWKG-UHFFFAOYSA-N 0 3 270.376 3.088 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000248523424 377335078 /nfs/dbraw/zinc/33/50/78/377335078.db2.gz SMRXICIKOSKXSY-UAXWRAGISA-N 0 3 275.392 3.165 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccccc1[O-] ZINC000251990736 377608385 /nfs/dbraw/zinc/60/83/85/377608385.db2.gz VYSOSTKMIPCECE-AYDFFVQHSA-N 0 3 261.365 3.000 10 10 CGCEHN C[NH+](C)Cc1cccc(NCc2cccc(F)c2[O-])c1 ZINC000164964881 331305470 /nfs/dbraw/zinc/30/54/70/331305470.db2.gz PUIRXGBNXYGKOP-UHFFFAOYSA-N 0 3 274.339 3.205 10 10 CGCEHN Oc1ccc(CN[C@H]2CCCc3sccc32)cc1O ZINC000061331012 526344362 /nfs/dbraw/zinc/34/43/62/526344362.db2.gz SFGJJLGMUIZXQD-LBPRGKRZSA-N 0 3 275.373 3.327 10 10 CGCEHN Cc1nc(C)c([C@H](C)NCc2ccc(N)cc2)s1 ZINC000049538734 526755068 /nfs/dbraw/zinc/75/50/68/526755068.db2.gz WLFMCBLWWARECE-VIFPVBQESA-N 0 3 261.394 3.193 10 10 CGCEHN COCCN[C@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000035709570 536894469 /nfs/dbraw/zinc/89/44/69/536894469.db2.gz MFUFDHXPSZKSHX-UONOGXRCSA-N 0 3 294.414 3.359 10 10 CGCEHN CC[C@@H]([NH3+])c1c(C)c(Br)c(C)c(C)c1[O-] ZINC000757144324 617798029 /nfs/dbraw/zinc/79/80/29/617798029.db2.gz IJOGYKMKPTUPOO-SECBINFHSA-N 0 3 272.186 3.490 10 10 CGCEHN CC[C@H]([NH3+])c1c(C)c(Br)c(C)c(C)c1[O-] ZINC000757144328 617798440 /nfs/dbraw/zinc/79/84/40/617798440.db2.gz IJOGYKMKPTUPOO-VIFPVBQESA-N 0 3 272.186 3.490 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000245598870 376864040 /nfs/dbraw/zinc/86/40/40/376864040.db2.gz JMVBIJNOGTVQCN-GOEBONIOSA-N 0 3 287.359 3.073 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000245598870 376864047 /nfs/dbraw/zinc/86/40/47/376864047.db2.gz JMVBIJNOGTVQCN-GOEBONIOSA-N 0 3 287.359 3.073 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000248765434 377398709 /nfs/dbraw/zinc/39/87/09/377398709.db2.gz WWPUIRQYOUODPK-WRFANHODSA-N 0 3 287.403 3.309 10 10 CGCEHN Cc1ccc(O)c(CN2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438391 392236941 /nfs/dbraw/zinc/23/69/41/392236941.db2.gz AJQNCDFKIOQQGZ-HNNXBMFYSA-N 0 3 271.364 3.151 10 10 CGCEHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438391 392236944 /nfs/dbraw/zinc/23/69/44/392236944.db2.gz AJQNCDFKIOQQGZ-HNNXBMFYSA-N 0 3 271.364 3.151 10 10 CGCEHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438391 392236946 /nfs/dbraw/zinc/23/69/46/392236946.db2.gz AJQNCDFKIOQQGZ-HNNXBMFYSA-N 0 3 271.364 3.151 10 10 CGCEHN COc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1[O-] ZINC000020129775 274147030 /nfs/dbraw/zinc/14/70/30/274147030.db2.gz PUPYCVIGFGABML-HNNXBMFYSA-N 0 3 269.344 3.178 10 10 CGCEHN [O-]c1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCCO1 ZINC000042811957 526356968 /nfs/dbraw/zinc/35/69/68/526356968.db2.gz PADGTSSJRKIJAU-AWEZNQCLSA-N 0 3 271.360 3.204 10 10 CGCEHN Nc1ccc(OCCCN2CCc3ccccc3C2)cc1 ZINC000019731927 344890739 /nfs/dbraw/zinc/89/07/39/344890739.db2.gz WUBFIKFGNRUXQI-UHFFFAOYSA-N 0 3 282.387 3.096 10 10 CGCEHN Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC000020126147 171009555 /nfs/dbraw/zinc/00/95/55/171009555.db2.gz HJTWBFMBFFFHRK-LBPRGKRZSA-N 0 3 257.333 3.257 10 10 CGCEHN C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccccc1[O-] ZINC000248383516 329890839 /nfs/dbraw/zinc/89/08/39/329890839.db2.gz AJDGLFQDKHDILT-YYWXWVFPSA-N 0 3 261.365 3.000 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228143953 333295766 /nfs/dbraw/zinc/29/57/66/333295766.db2.gz CTFDEKMHKQMAGD-IIAWOOMASA-N 0 3 261.365 3.097 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228143953 333295767 /nfs/dbraw/zinc/29/57/67/333295767.db2.gz CTFDEKMHKQMAGD-IIAWOOMASA-N 0 3 261.365 3.097 10 10 CGCEHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000037062104 525538344 /nfs/dbraw/zinc/53/83/44/525538344.db2.gz DCUIPGXNWWETBC-GFCCVEGCSA-N 0 3 285.343 3.014 10 10 CGCEHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000061359868 526344903 /nfs/dbraw/zinc/34/49/03/526344903.db2.gz TXIJUJLZBRTSOT-ZDUSSCGKSA-N 0 3 275.373 3.327 10 10 CGCEHN Cc1cc(Br)cc([C@H]([NH3+])C(C)C)c1[O-] ZINC000095716988 619726723 /nfs/dbraw/zinc/72/67/23/619726723.db2.gz PGHGJFPYRJFWGG-SNVBAGLBSA-N 0 3 258.159 3.119 10 10 CGCEHN C[C@@H]1C[N@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000171606467 623178523 /nfs/dbraw/zinc/17/85/23/623178523.db2.gz VBGHANUHDUZXCG-GFCCVEGCSA-N 0 3 273.401 3.483 10 10 CGCEHN C[C@@H]1C[N@@H+](Cc2c([O-])ccc3ccccc32)CCS1 ZINC000171606467 623178530 /nfs/dbraw/zinc/17/85/30/623178530.db2.gz VBGHANUHDUZXCG-GFCCVEGCSA-N 0 3 273.401 3.483 10 10 CGCEHN [O-]c1cc(OCc2ccccc2)ccc1[C@H]1CCC[NH2+]1 ZINC000309613657 346469690 /nfs/dbraw/zinc/46/96/90/346469690.db2.gz PFFSOQCYKXHQPP-MRXNPFEDSA-N 0 3 269.344 3.396 10 10 CGCEHN COc1ccc([O-])c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246017026 376953349 /nfs/dbraw/zinc/95/33/49/376953349.db2.gz ZRTSSQOKSFZBOJ-ZBFHGGJFSA-N 0 3 293.432 3.261 10 10 CGCEHN COc1ccc([O-])c(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246017026 376953353 /nfs/dbraw/zinc/95/33/53/376953353.db2.gz ZRTSSQOKSFZBOJ-ZBFHGGJFSA-N 0 3 293.432 3.261 10 10 CGCEHN CN(C)c1ccc(CN2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000093437871 392238115 /nfs/dbraw/zinc/23/81/15/392238115.db2.gz BVLJGQFKNMPIOG-KRWDZBQOSA-N 0 3 284.407 3.203 10 10 CGCEHN C[C@H]([NH2+]CCc1cccs1)c1cc(O)ccc1[O-] ZINC000019949079 170938217 /nfs/dbraw/zinc/93/82/17/170938217.db2.gz GXGRGOFZXODUEJ-JTQLQIEISA-N 0 3 263.362 3.053 10 10 CGCEHN COCc1cccc(CN[C@H](C)c2cc(O)ccc2O)c1 ZINC000038010511 173977462 /nfs/dbraw/zinc/97/74/62/173977462.db2.gz OYPXBJWEKNLSNM-GFCCVEGCSA-N 0 3 287.359 3.095 10 10 CGCEHN COc1ccc(O)c([C@H](C)N[C@H]2COc3ccccc32)c1 ZINC000070528556 326917769 /nfs/dbraw/zinc/91/77/69/326917769.db2.gz XBXJPGGFGCWYPQ-NHYWBVRUSA-N 0 3 285.343 3.185 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1[O-] ZINC000248873567 329901307 /nfs/dbraw/zinc/90/13/07/329901307.db2.gz LGJRFLPQKIYTMV-DLTWYDFYSA-N 0 3 275.392 3.391 10 10 CGCEHN CNCc1cc(F)c(N(C)[C@H](C)C(C)C)c(F)c1 ZINC000062710969 522112507 /nfs/dbraw/zinc/11/25/07/522112507.db2.gz OBBKCFNJEFVZJW-SNVBAGLBSA-N 0 3 256.340 3.165 10 10 CGCEHN COc1ccc(C[NH2+][C@H]2CCc3ccccc32)c([O-])c1 ZINC000040905932 639898589 /nfs/dbraw/zinc/89/85/89/639898589.db2.gz CAJKFUQAYUXCDV-INIZCTEOSA-N 0 3 269.344 3.178 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000132765931 392461780 /nfs/dbraw/zinc/46/17/80/392461780.db2.gz CTFDEKMHKQMAGD-YCPHGPKFSA-N 0 3 261.365 3.097 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000132765931 392461794 /nfs/dbraw/zinc/46/17/94/392461794.db2.gz CTFDEKMHKQMAGD-YCPHGPKFSA-N 0 3 261.365 3.097 10 10 CGCEHN COc1cccc(CN[C@H]2CCOc3ccccc32)c1O ZINC000037074357 278013381 /nfs/dbraw/zinc/01/33/81/278013381.db2.gz NHYFLKOQNSETRW-AWEZNQCLSA-N 0 3 285.343 3.014 10 10 CGCEHN CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)N2C)c1ccccc1[O-] ZINC000088164185 327016798 /nfs/dbraw/zinc/01/67/98/327016798.db2.gz PIUJMTCHKZUFQX-UCMJJCQDSA-N 0 3 288.435 3.448 10 10 CGCEHN C[C@@H]1CCN(c2c(F)cc(CNC3CC3)cc2F)C1 ZINC000062711632 524523084 /nfs/dbraw/zinc/52/30/84/524523084.db2.gz DMHGHULJMNPADB-SNVBAGLBSA-N 0 3 266.335 3.063 10 10 CGCEHN CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183627470 625098904 /nfs/dbraw/zinc/09/89/04/625098904.db2.gz GMOVBCWLMHQRPI-HUUCEWRRSA-N 0 3 276.424 3.163 10 10 CGCEHN CN(C)C[C@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000097395313 370240881 /nfs/dbraw/zinc/24/08/81/370240881.db2.gz GGLDBUFIORAZRG-SFHVURJKSA-N 0 3 296.414 3.014 10 10 CGCEHN [NH3+][C@@H](CCF)c1ccc(OCc2ccccc2)cc1[O-] ZINC000575437953 377909802 /nfs/dbraw/zinc/90/98/02/377909802.db2.gz CWLYPVWOTJNXAU-HNNXBMFYSA-N 0 3 275.323 3.331 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC2(C1)CCOCC2 ZINC000370213800 378994317 /nfs/dbraw/zinc/99/43/17/378994317.db2.gz XMBNMHUQNCUGKI-OAHLLOKOSA-N 0 3 275.392 3.346 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC2(C1)CCOCC2 ZINC000370213800 378994321 /nfs/dbraw/zinc/99/43/21/378994321.db2.gz XMBNMHUQNCUGKI-OAHLLOKOSA-N 0 3 275.392 3.346 10 10 CGCEHN CC(C)N(Cc1ccncc1)Cc1ccc(N)cc1 ZINC000035365392 172155400 /nfs/dbraw/zinc/15/54/00/172155400.db2.gz WUCROVRZRCFMRK-UHFFFAOYSA-N 0 3 255.365 3.074 10 10 CGCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1[O-] ZINC000188565299 329369949 /nfs/dbraw/zinc/36/99/49/329369949.db2.gz NYOGYZDORHWYNQ-MGPQQGTHSA-N 0 3 281.783 3.011 10 10 CGCEHN COc1ccccc1C1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000134485972 334091995 /nfs/dbraw/zinc/09/19/95/334091995.db2.gz OYXVFHGDOUHAFC-UHFFFAOYSA-N 0 3 283.371 3.437 10 10 CGCEHN COc1cc(Cl)cc(C[NH2+][C@H](C)C(C)C)c1[O-] ZINC000228669315 522539583 /nfs/dbraw/zinc/53/95/83/522539583.db2.gz ACKTZCIHJCMOCO-SECBINFHSA-N 0 3 257.761 3.188 10 10 CGCEHN CC[C@@H]([NH2+]Cc1cccc(O)c1[O-])c1cccs1 ZINC000049529649 522883553 /nfs/dbraw/zinc/88/35/53/522883553.db2.gz JZOMPPXSNHOFPY-LLVKDONJSA-N 0 3 263.362 3.400 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2[O-])s1 ZINC000049162055 525928255 /nfs/dbraw/zinc/92/82/55/525928255.db2.gz UQPUAQHUIVWREJ-JTQLQIEISA-N 0 3 263.362 3.319 10 10 CGCEHN CCC[C@@H]([NH3+])c1cc(Br)cc(C)c1[O-] ZINC000095780863 619287665 /nfs/dbraw/zinc/28/76/65/619287665.db2.gz IPYVFCVBKOKANO-SNVBAGLBSA-N 0 3 258.159 3.263 10 10 CGCEHN Cc1cccc(N)c1N[C@H]1CCN(Cc2ccccc2)C1 ZINC000306731375 346457388 /nfs/dbraw/zinc/45/73/88/346457388.db2.gz QRHMVGTZVBVTNW-INIZCTEOSA-N 0 3 281.403 3.264 10 10 CGCEHN Cc1ccc(O)c(CN2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438390 392237938 /nfs/dbraw/zinc/23/79/38/392237938.db2.gz AJQNCDFKIOQQGZ-OAHLLOKOSA-N 0 3 271.364 3.151 10 10 CGCEHN Cc1ccc([O-])c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438390 392237942 /nfs/dbraw/zinc/23/79/42/392237942.db2.gz AJQNCDFKIOQQGZ-OAHLLOKOSA-N 0 3 271.364 3.151 10 10 CGCEHN Cc1ccc([O-])c(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438390 392237947 /nfs/dbraw/zinc/23/79/47/392237947.db2.gz AJQNCDFKIOQQGZ-OAHLLOKOSA-N 0 3 271.364 3.151 10 10 CGCEHN Cc1ccccc1[C@@H](C)NCc1ccc(O)c(O)c1 ZINC000020126132 171009758 /nfs/dbraw/zinc/00/97/58/171009758.db2.gz SDMJIQDLXWQFGX-GFCCVEGCSA-N 0 3 257.333 3.257 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000248523422 329891252 /nfs/dbraw/zinc/89/12/52/329891252.db2.gz SMRXICIKOSKXSY-OJDYBEQGSA-N 0 3 275.392 3.165 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN2CCC[C@H]2C1 ZINC000251301350 334359526 /nfs/dbraw/zinc/35/95/26/334359526.db2.gz TWOPCOLIONUUOK-GOEBONIOSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN2CCC[C@H]2C1 ZINC000251301350 334359528 /nfs/dbraw/zinc/35/95/28/334359528.db2.gz TWOPCOLIONUUOK-GOEBONIOSA-N 0 3 274.408 3.013 10 10 CGCEHN [O-]c1ccccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074278 526374100 /nfs/dbraw/zinc/37/41/00/526374100.db2.gz JXOOWBAFTURLIQ-CQSZACIVSA-N 0 3 255.317 3.006 10 10 CGCEHN Cc1cc([O-])c([C@@H]([NH3+])C(C)C)c(C)c1Br ZINC000095707155 640814415 /nfs/dbraw/zinc/81/44/15/640814415.db2.gz FPGNSDBWHMNTBH-LBPRGKRZSA-N 0 3 272.186 3.427 10 10 CGCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1[O-] ZINC000249185395 377474083 /nfs/dbraw/zinc/47/40/83/377474083.db2.gz NYOGYZDORHWYNQ-MJBXVCDLSA-N 0 3 281.783 3.011 10 10 CGCEHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccccn1 ZINC000019957844 170941964 /nfs/dbraw/zinc/94/19/64/170941964.db2.gz FEYPWERBEQRGMT-TZMCWYRMSA-N 0 3 268.360 3.434 10 10 CGCEHN COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2)c([O-])c1 ZINC000020121830 171001481 /nfs/dbraw/zinc/00/14/81/171001481.db2.gz FCHJPZPRPVLEAW-RYUDHWBXSA-N 0 3 272.348 3.208 10 10 CGCEHN CC[C@@H]([NH2+]Cc1ncccc1C)c1ccccc1[O-] ZINC000071339312 176129673 /nfs/dbraw/zinc/12/96/73/176129673.db2.gz YSYRYOFLQHBLEL-CQSZACIVSA-N 0 3 256.349 3.337 10 10 CGCEHN CNCc1cc(F)c(N(C)C2CCCCC2)c(F)c1 ZINC000062709492 522110845 /nfs/dbraw/zinc/11/08/45/522110845.db2.gz QONUQCPWTYCKHM-UHFFFAOYSA-N 0 3 268.351 3.453 10 10 CGCEHN COCCN[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569995 344891809 /nfs/dbraw/zinc/89/18/09/344891809.db2.gz MFUFDHXPSZKSHX-KGLIPLIRSA-N 0 3 294.414 3.359 10 10 CGCEHN CCNCc1c(Sc2nccs2)nc2ccccn21 ZINC000104290985 185956787 /nfs/dbraw/zinc/95/67/87/185956787.db2.gz RFMPDKWKPATEIS-UHFFFAOYSA-N 0 3 290.417 3.052 10 10 CGCEHN COc1cccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000092758110 370099811 /nfs/dbraw/zinc/09/98/11/370099811.db2.gz ZIPMHEDTSBPZQE-MRXNPFEDSA-N 0 3 298.386 3.087 10 10 CGCEHN COc1cccc(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1[O-] ZINC000092758110 370099816 /nfs/dbraw/zinc/09/98/16/370099816.db2.gz ZIPMHEDTSBPZQE-MRXNPFEDSA-N 0 3 298.386 3.087 10 10 CGCEHN Cc1cccc(C[NH2+][C@H](CN(C)C)c2ccccc2)c1[O-] ZINC000158083553 392555129 /nfs/dbraw/zinc/55/51/29/392555129.db2.gz QNXQVPMGIQVPDV-QGZVFWFLSA-N 0 3 284.403 3.093 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000248765429 329899051 /nfs/dbraw/zinc/89/90/51/329899051.db2.gz WWPUIRQYOUODPK-NSNWQYSKSA-N 0 3 287.403 3.309 10 10 CGCEHN C[C@H](NC[C@H]1CCCO1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550901 368808952 /nfs/dbraw/zinc/80/89/52/368808952.db2.gz DCBCOYCZMOAWCN-DZGCQCFKSA-N 0 3 292.398 3.256 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCC[C@]12CCOC2 ZINC000311771936 374254981 /nfs/dbraw/zinc/25/49/81/374254981.db2.gz GPGPFIZROVECDB-GDBMZVCRSA-N 0 3 261.365 3.098 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCC[C@]12CCOC2 ZINC000311771936 374254988 /nfs/dbraw/zinc/25/49/88/374254988.db2.gz GPGPFIZROVECDB-GDBMZVCRSA-N 0 3 261.365 3.098 10 10 CGCEHN CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000122934183 392425026 /nfs/dbraw/zinc/42/50/26/392425026.db2.gz RFYUYOQTBUDJQB-MRXNPFEDSA-N 0 3 299.418 3.297 10 10 CGCEHN CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000122934183 392425031 /nfs/dbraw/zinc/42/50/31/392425031.db2.gz RFYUYOQTBUDJQB-MRXNPFEDSA-N 0 3 299.418 3.297 10 10 CGCEHN Cc1cccc(CN[C@@H]2CCOc3ccccc32)c1O ZINC000158065577 392553384 /nfs/dbraw/zinc/55/33/84/392553384.db2.gz MESXOABCUYJDIH-OAHLLOKOSA-N 0 3 269.344 3.314 10 10 CGCEHN COc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2)c([O-])c1 ZINC000020121832 171000981 /nfs/dbraw/zinc/00/09/81/171000981.db2.gz FCHJPZPRPVLEAW-NEPJUHHUSA-N 0 3 272.348 3.208 10 10 CGCEHN Cc1cccc(CN[C@H](C)c2cc(O)ccc2O)c1 ZINC000020134152 171022221 /nfs/dbraw/zinc/02/22/21/171022221.db2.gz PDGDAZARHJRYNH-GFCCVEGCSA-N 0 3 257.333 3.257 10 10 CGCEHN COc1ccc(O)c([C@H](C)N[C@@H](C)c2ccco2)c1 ZINC000035738902 172392890 /nfs/dbraw/zinc/39/28/90/172392890.db2.gz XVIQKXHZXLDTKU-QWRGUYRKSA-N 0 3 261.321 3.406 10 10 CGCEHN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1[O-] ZINC000248383517 329890782 /nfs/dbraw/zinc/89/07/82/329890782.db2.gz AJDGLFQDKHDILT-ZIEJDFEHSA-N 0 3 261.365 3.000 10 10 CGCEHN Cc1ccc([O-])c(C[NH2+][C@@H](CN(C)C)c2ccccc2)c1 ZINC000071406467 525352412 /nfs/dbraw/zinc/35/24/12/525352412.db2.gz MBHDANYSNMAEMR-KRWDZBQOSA-N 0 3 284.403 3.093 10 10 CGCEHN N#[N+]C=C([O-])c1ccc2cc(Br)ccc2c1 ZINC000113306200 534975021 /nfs/dbraw/zinc/97/50/21/534975021.db2.gz ISJYUEJSOYGOCH-UHFFFAOYSA-N 0 3 275.105 3.086 10 10 CGCEHN COc1cc(Cl)cc([C@@H]([NH3+])c2ccccc2)c1[O-] ZINC000757131704 617755175 /nfs/dbraw/zinc/75/51/75/617755175.db2.gz BXIIBXMCJINPNO-ZDUSSCGKSA-N 0 3 263.724 3.102 10 10 CGCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1C ZINC000124413461 370924529 /nfs/dbraw/zinc/92/45/29/370924529.db2.gz HIIGWYCQXPQNCJ-QGZVFWFLSA-N 0 3 298.386 3.057 10 10 CGCEHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](Oc3cccnc3)C2)cc1C ZINC000124413461 370924539 /nfs/dbraw/zinc/92/45/39/370924539.db2.gz HIIGWYCQXPQNCJ-QGZVFWFLSA-N 0 3 298.386 3.057 10 10 CGCEHN Cc1cnn([C@@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)c1 ZINC000122965944 370908878 /nfs/dbraw/zinc/90/88/78/370908878.db2.gz NHZNSCVGNXDBNG-GOSISDBHSA-N 0 3 298.434 3.095 10 10 CGCEHN COc1cccc(CN2CCC[C@@H]2c2ccco2)c1O ZINC000093335280 370119181 /nfs/dbraw/zinc/11/91/81/370119181.db2.gz IPQLTKLTSRNHRY-CYBMUJFWSA-N 0 3 273.332 3.331 10 10 CGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812835 392233078 /nfs/dbraw/zinc/23/30/78/392233078.db2.gz KFTVEPGTSUKSDW-OAHLLOKOSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812835 392233080 /nfs/dbraw/zinc/23/30/80/392233080.db2.gz KFTVEPGTSUKSDW-OAHLLOKOSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000122803613 267935642 /nfs/dbraw/zinc/93/56/42/267935642.db2.gz NJIBDYUYETUQIJ-INIZCTEOSA-N 0 3 299.418 3.388 10 10 CGCEHN Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000122803613 267935646 /nfs/dbraw/zinc/93/56/46/267935646.db2.gz NJIBDYUYETUQIJ-INIZCTEOSA-N 0 3 299.418 3.388 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000179567286 329209809 /nfs/dbraw/zinc/20/98/09/329209809.db2.gz JCLZVBXDUMCDKS-CYBMUJFWSA-N 0 3 274.389 3.228 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000179567286 329209810 /nfs/dbraw/zinc/20/98/10/329209810.db2.gz JCLZVBXDUMCDKS-CYBMUJFWSA-N 0 3 274.389 3.228 10 10 CGCEHN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1[O-] ZINC000248395367 329887245 /nfs/dbraw/zinc/88/72/45/329887245.db2.gz YTGWFQBUDPOWEP-LBRJOISOSA-N 0 3 287.403 3.391 10 10 CGCEHN CNCc1cc(F)c(N2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC000062709577 522113356 /nfs/dbraw/zinc/11/33/56/522113356.db2.gz KIWFCYKELIMMDO-GHMZBOCLSA-N 0 3 268.351 3.167 10 10 CGCEHN COc1cc(Cl)cc([C@H]([NH3+])c2ccccc2)c1[O-] ZINC000757131683 617753556 /nfs/dbraw/zinc/75/35/56/617753556.db2.gz BXIIBXMCJINPNO-CYBMUJFWSA-N 0 3 263.724 3.102 10 10 CGCEHN C[C@H](NCc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000135459180 637132699 /nfs/dbraw/zinc/13/26/99/637132699.db2.gz LJNQRGBBJDKOLD-NSHDSACASA-N 0 3 272.304 3.151 10 10 CGCEHN Cc1ccc(Br)c([C@@H]2CCCC[NH2+]2)c1[O-] ZINC000218408437 346293213 /nfs/dbraw/zinc/29/32/13/346293213.db2.gz WDNVNUCQWDCAPN-JTQLQIEISA-N 0 3 270.170 3.278 10 10 CGCEHN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000122803423 370907388 /nfs/dbraw/zinc/90/73/88/370907388.db2.gz NJIBDYUYETUQIJ-MRXNPFEDSA-N 0 3 299.418 3.388 10 10 CGCEHN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000122803423 370907389 /nfs/dbraw/zinc/90/73/89/370907389.db2.gz NJIBDYUYETUQIJ-MRXNPFEDSA-N 0 3 299.418 3.388 10 10 CGCEHN C[C@@H](NC[C@@H]1CCCO1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550895 368808916 /nfs/dbraw/zinc/80/89/16/368808916.db2.gz DCBCOYCZMOAWCN-HIFRSBDPSA-N 0 3 292.398 3.256 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@]12CCOC2 ZINC000311771944 374255757 /nfs/dbraw/zinc/25/57/57/374255757.db2.gz GPGPFIZROVECDB-GOEBONIOSA-N 0 3 261.365 3.098 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@]12CCOC2 ZINC000311771944 374255760 /nfs/dbraw/zinc/25/57/60/374255760.db2.gz GPGPFIZROVECDB-GOEBONIOSA-N 0 3 261.365 3.098 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000180025352 329214640 /nfs/dbraw/zinc/21/46/40/329214640.db2.gz LPCLGMKWLOGCKO-INIZCTEOSA-N 0 3 286.350 3.218 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000180025352 329214641 /nfs/dbraw/zinc/21/46/41/329214641.db2.gz LPCLGMKWLOGCKO-INIZCTEOSA-N 0 3 286.350 3.218 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000185465916 329274054 /nfs/dbraw/zinc/27/40/54/329274054.db2.gz OKBXLWVURVHYTP-XZOAIXRZSA-N 0 3 283.371 3.010 10 10 CGCEHN C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1[O-] ZINC000248395365 329887325 /nfs/dbraw/zinc/88/73/25/329887325.db2.gz YTGWFQBUDPOWEP-GUDXXQAFSA-N 0 3 287.403 3.391 10 10 CGCEHN Cc1cc([O-])c([C@@H]2CCC[NH2+]2)c(C)c1Br ZINC000218402514 346293323 /nfs/dbraw/zinc/29/33/23/346293323.db2.gz XNNIGHIZUSOKJO-VIFPVBQESA-N 0 3 270.170 3.196 10 10 CGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000248483720 377331120 /nfs/dbraw/zinc/33/11/20/377331120.db2.gz CXGHDKAFHVDVLV-CQPIRRRNSA-N 0 3 291.391 3.009 10 10 CGCEHN COc1ccc([C@@H](C)N[C@@H](C)c2ccco2)c(O)c1 ZINC000035738601 172391571 /nfs/dbraw/zinc/39/15/71/172391571.db2.gz BOUKBOYWZAJJLK-MNOVXSKESA-N 0 3 261.321 3.406 10 10 CGCEHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NCc1ccnc(C)n1 ZINC000038037456 174038144 /nfs/dbraw/zinc/03/81/44/174038144.db2.gz HPSHJQALPIUYQV-SMDDNHRTSA-N 0 3 283.375 3.137 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1[O-] ZINC000156716601 261129822 /nfs/dbraw/zinc/12/98/22/261129822.db2.gz SMJKEUVCKLFZCI-CWRNSKLLSA-N 0 3 276.424 3.162 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000179566667 329209923 /nfs/dbraw/zinc/20/99/23/329209923.db2.gz ZLPYPNNZEGDKNY-MRXNPFEDSA-N 0 3 268.360 3.079 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000179566667 329209924 /nfs/dbraw/zinc/20/99/24/329209924.db2.gz ZLPYPNNZEGDKNY-MRXNPFEDSA-N 0 3 268.360 3.079 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000180029559 329214579 /nfs/dbraw/zinc/21/45/79/329214579.db2.gz JWMXQDHVAMMOAC-LLVKDONJSA-N 0 3 292.379 3.367 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](c2nccs2)C1 ZINC000180029559 329214580 /nfs/dbraw/zinc/21/45/80/329214580.db2.gz JWMXQDHVAMMOAC-LLVKDONJSA-N 0 3 292.379 3.367 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1[O-] ZINC000248548187 329891694 /nfs/dbraw/zinc/89/16/94/329891694.db2.gz GPLNKSZDIANEAR-XJNFMUPTSA-N 0 3 287.403 3.391 10 10 CGCEHN C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1[O-] ZINC000248923779 329902502 /nfs/dbraw/zinc/90/25/02/329902502.db2.gz WXAGJGFVKDYSNM-DETPVDSQSA-N 0 3 261.365 3.000 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1[O-] ZINC000229565221 333306239 /nfs/dbraw/zinc/30/62/39/333306239.db2.gz NFXPBMABKCAQBJ-SQWLQELKSA-N 0 3 261.365 3.000 10 10 CGCEHN CC[C@@H]([NH3+])c1c(C)c(Br)c(C)cc1[O-] ZINC000095717459 619726467 /nfs/dbraw/zinc/72/64/67/619726467.db2.gz ULDGWBVQBJJFLC-MRVPVSSYSA-N 0 3 258.159 3.181 10 10 CGCEHN Cc1cccc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000179986686 373951252 /nfs/dbraw/zinc/95/12/52/373951252.db2.gz ZGSFCWDVCOQWTA-HNNXBMFYSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1cccc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1[O-] ZINC000179986686 373951258 /nfs/dbraw/zinc/95/12/58/373951258.db2.gz ZGSFCWDVCOQWTA-HNNXBMFYSA-N 0 3 297.402 3.030 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245598866 376864741 /nfs/dbraw/zinc/86/47/41/376864741.db2.gz JMVBIJNOGTVQCN-GDBMZVCRSA-N 0 3 287.359 3.073 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245598866 376864748 /nfs/dbraw/zinc/86/47/48/376864748.db2.gz JMVBIJNOGTVQCN-GDBMZVCRSA-N 0 3 287.359 3.073 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c([O-])c1 ZINC000248498113 377330115 /nfs/dbraw/zinc/33/01/15/377330115.db2.gz MCIFFHNQRQJBDW-MKVSYHDVSA-N 0 3 275.392 3.309 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccccc1[O-] ZINC000251990740 377607287 /nfs/dbraw/zinc/60/72/87/377607287.db2.gz VYSOSTKMIPCECE-TTZDDIAXSA-N 0 3 261.365 3.000 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000133471949 392463635 /nfs/dbraw/zinc/46/36/35/392463635.db2.gz BXAMRXCSZDJDHQ-VYDXJSESSA-N 0 3 275.392 3.487 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000133471949 392463648 /nfs/dbraw/zinc/46/36/48/392463648.db2.gz BXAMRXCSZDJDHQ-VYDXJSESSA-N 0 3 275.392 3.487 10 10 CGCEHN Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccc1[O-] ZINC000188948942 329375882 /nfs/dbraw/zinc/37/58/82/329375882.db2.gz ONDXKSAIPUTDRZ-HNNXBMFYSA-N 0 3 269.344 3.314 10 10 CGCEHN CCOc1cccc(CN[C@@H]2COc3ccccc32)c1O ZINC000070070165 521373062 /nfs/dbraw/zinc/37/30/62/521373062.db2.gz MQXASKIQGZAYBW-CQSZACIVSA-N 0 3 285.343 3.014 10 10 CGCEHN CCCN(C)c1c(F)cc(CNC2CC2)cc1F ZINC000062710306 521513515 /nfs/dbraw/zinc/51/35/15/521513515.db2.gz OTBLRFGRYHEVRV-UHFFFAOYSA-N 0 3 254.324 3.063 10 10 CGCEHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccc2c(c1)OCCO2 ZINC000037062103 525463574 /nfs/dbraw/zinc/46/35/74/525463574.db2.gz DCUIPGXNWWETBC-LBPRGKRZSA-N 0 3 285.343 3.014 10 10 CGCEHN Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O)cc2[O-])s1 ZINC000049158013 525732795 /nfs/dbraw/zinc/73/27/95/525732795.db2.gz QTJUVMFCSQZOBL-SNVBAGLBSA-N 0 3 263.362 3.319 10 10 CGCEHN Cc1ccc([C@@H](C)NCc2ccc(O)c(O)c2)s1 ZINC000049157864 525734382 /nfs/dbraw/zinc/73/43/82/525734382.db2.gz BWJVVEOSNNJSPW-SNVBAGLBSA-N 0 3 263.362 3.319 10 10 CGCEHN Cc1cc(O)c(CN2CCCC[C@@H]2c2cn[nH]c2)cc1C ZINC000093438121 392238129 /nfs/dbraw/zinc/23/81/29/392238129.db2.gz PLUXSCLLECANSF-MRXNPFEDSA-N 0 3 285.391 3.459 10 10 CGCEHN COc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000020092388 170991903 /nfs/dbraw/zinc/99/19/03/170991903.db2.gz FAKCQOFIIMTOPJ-HUBLWGQQSA-N 0 3 263.381 3.315 10 10 CGCEHN [O-]c1ccc2ccccc2c1C[NH2+]Cc1cccnc1 ZINC000020140710 171028022 /nfs/dbraw/zinc/02/80/22/171028022.db2.gz NSVCPCNPMYNXIJ-UHFFFAOYSA-N 0 3 264.328 3.230 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000211685709 262022369 /nfs/dbraw/zinc/02/23/69/262022369.db2.gz NBTXOIXRJACKQG-GDBMZVCRSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000211685709 262022372 /nfs/dbraw/zinc/02/23/72/262022372.db2.gz NBTXOIXRJACKQG-GDBMZVCRSA-N 0 3 274.408 3.013 10 10 CGCEHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1[O-] ZINC000248385175 329890655 /nfs/dbraw/zinc/89/06/55/329890655.db2.gz HLZPOMGJZWOGPV-NUEKZKHPSA-N 0 3 285.391 3.423 10 10 CGCEHN Cc1cccc(N)c1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000306731377 346457044 /nfs/dbraw/zinc/45/70/44/346457044.db2.gz QRHMVGTZVBVTNW-MRXNPFEDSA-N 0 3 281.403 3.264 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC2(C1)CCOCC2 ZINC000370213799 378994531 /nfs/dbraw/zinc/99/45/31/378994531.db2.gz XMBNMHUQNCUGKI-HNNXBMFYSA-N 0 3 275.392 3.346 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC2(C1)CCOCC2 ZINC000370213799 378994536 /nfs/dbraw/zinc/99/45/36/378994536.db2.gz XMBNMHUQNCUGKI-HNNXBMFYSA-N 0 3 275.392 3.346 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000251169384 334357676 /nfs/dbraw/zinc/35/76/76/334357676.db2.gz BKJWLSZIRUWAHA-IJEWVQPXSA-N 0 3 274.408 3.012 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000251169384 334357678 /nfs/dbraw/zinc/35/76/78/334357678.db2.gz BKJWLSZIRUWAHA-IJEWVQPXSA-N 0 3 274.408 3.012 10 10 CGCEHN Cc1cnn([C@H]2CCCN(Cc3ccc(N(C)C)cc3)C2)c1 ZINC000122966137 370908771 /nfs/dbraw/zinc/90/87/71/370908771.db2.gz NHZNSCVGNXDBNG-SFHVURJKSA-N 0 3 298.434 3.095 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000179584672 373890940 /nfs/dbraw/zinc/89/09/40/373890940.db2.gz BUVCKSMXHWFCGR-IEBWSBKVSA-N 0 3 297.398 3.480 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000179584672 373890946 /nfs/dbraw/zinc/89/09/46/373890946.db2.gz BUVCKSMXHWFCGR-IEBWSBKVSA-N 0 3 297.398 3.480 10 10 CGCEHN CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccccc1[O-] ZINC000248549972 377345505 /nfs/dbraw/zinc/34/55/05/377345505.db2.gz HPSWWFAKVXVDPH-JQHSSLGASA-N 0 3 283.371 3.091 10 10 CGCEHN COc1ccc(O)c([C@H](C)N[C@H](C)c2ccco2)c1 ZINC000035738903 172392681 /nfs/dbraw/zinc/39/26/81/172392681.db2.gz XVIQKXHZXLDTKU-WDEREUQCSA-N 0 3 261.321 3.406 10 10 CGCEHN Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3[O-])C2)c1 ZINC000152909270 261071140 /nfs/dbraw/zinc/07/11/40/261071140.db2.gz LFVXOBROPHNUQY-QGZVFWFLSA-N 0 3 299.418 3.351 10 10 CGCEHN Cc1cnn([C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3[O-])C2)c1 ZINC000152909270 261071141 /nfs/dbraw/zinc/07/11/41/261071141.db2.gz LFVXOBROPHNUQY-QGZVFWFLSA-N 0 3 299.418 3.351 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000211685632 262022250 /nfs/dbraw/zinc/02/22/50/262022250.db2.gz NBTXOIXRJACKQG-ZBFHGGJFSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCN2CCCC[C@@H]2C1 ZINC000211685632 262022252 /nfs/dbraw/zinc/02/22/52/262022252.db2.gz NBTXOIXRJACKQG-ZBFHGGJFSA-N 0 3 274.408 3.013 10 10 CGCEHN CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180138400 329217782 /nfs/dbraw/zinc/21/77/82/329217782.db2.gz OVGRFVQRCANMOX-INIZCTEOSA-N 0 3 299.418 3.297 10 10 CGCEHN CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180138400 329217781 /nfs/dbraw/zinc/21/77/81/329217781.db2.gz OVGRFVQRCANMOX-INIZCTEOSA-N 0 3 299.418 3.297 10 10 CGCEHN COc1ccc([O-])c(C[N@@H+]2CCCC23CCCC3)c1 ZINC000378349063 534199766 /nfs/dbraw/zinc/19/97/66/534199766.db2.gz IOKZVEOIVNOKGV-UHFFFAOYSA-N 0 3 261.365 3.309 10 10 CGCEHN COc1ccc([O-])c(C[N@H+]2CCCC23CCCC3)c1 ZINC000378349063 534199771 /nfs/dbraw/zinc/19/97/71/534199771.db2.gz IOKZVEOIVNOKGV-UHFFFAOYSA-N 0 3 261.365 3.309 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(O)cc2[O-])s1 ZINC000049158017 525927112 /nfs/dbraw/zinc/92/71/12/525927112.db2.gz QTJUVMFCSQZOBL-JTQLQIEISA-N 0 3 263.362 3.319 10 10 CGCEHN Cc1cc(O)c(CN2CCO[C@H]3CCCC[C@@H]32)cc1C ZINC000048621673 619513331 /nfs/dbraw/zinc/51/33/31/619513331.db2.gz PYHIMYFEIINFQW-RDJZCZTQSA-N 0 3 275.392 3.152 10 10 CGCEHN Cc1cc(O)c(CN2CCO[C@@H]3CCCC[C@@H]32)cc1C ZINC000048621674 619513429 /nfs/dbraw/zinc/51/34/29/619513429.db2.gz PYHIMYFEIINFQW-DOTOQJQBSA-N 0 3 275.392 3.152 10 10 CGCEHN CN(C)c1ccc([C@H](N)C(C)(C)C(=O)OC(C)(C)C)cc1 ZINC000536959832 346650652 /nfs/dbraw/zinc/65/06/52/346650652.db2.gz VORYKLRZWXZDNO-AWEZNQCLSA-N 0 3 292.423 3.120 10 10 CGCEHN C[C@@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000296433800 373133682 /nfs/dbraw/zinc/13/36/82/373133682.db2.gz MEZKHUOTROWCGD-XFMPKHEZSA-N 0 3 275.392 3.173 10 10 CGCEHN CCCN(Cc1ccc(N)cc1)Cc1ccccn1 ZINC000035364779 172154499 /nfs/dbraw/zinc/15/44/99/172154499.db2.gz QOYLOPCRKURZDZ-UHFFFAOYSA-N 0 3 255.365 3.076 10 10 CGCEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038044175 174051395 /nfs/dbraw/zinc/05/13/95/174051395.db2.gz INSUKWMSFMMYCH-MELADBBJSA-N 0 3 275.392 3.265 10 10 CGCEHN COc1ccc(O)c(CN[C@H]2CCOc3ccccc32)c1 ZINC000037074233 274114848 /nfs/dbraw/zinc/11/48/48/274114848.db2.gz SCHWYZCDAPZPLK-HNNXBMFYSA-N 0 3 285.343 3.014 10 10 CGCEHN CC[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccccc1[O-] ZINC000229565230 333306230 /nfs/dbraw/zinc/30/62/30/333306230.db2.gz NFXPBMABKCAQBJ-OFQRWUPVSA-N 0 3 261.365 3.000 10 10 CGCEHN CN(C)c1ccc(/C=C\CN(C)CCc2ccccn2)cc1 ZINC000103862083 632745552 /nfs/dbraw/zinc/74/55/52/632745552.db2.gz NLKNAQFSIBXYGE-SREVYHEPSA-N 0 3 295.430 3.335 10 10 CGCEHN COc1cccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1[O-] ZINC000245768353 376905560 /nfs/dbraw/zinc/90/55/60/376905560.db2.gz RGJKEMJLBZWVGY-HIFRSBDPSA-N 0 3 293.432 3.261 10 10 CGCEHN COc1cccc(C[N@H+]2CCS[C@H]3CCCC[C@H]32)c1[O-] ZINC000245768353 376905563 /nfs/dbraw/zinc/90/55/63/376905563.db2.gz RGJKEMJLBZWVGY-HIFRSBDPSA-N 0 3 293.432 3.261 10 10 CGCEHN CCn1cc(C2CC[NH+](Cc3cc(C)ccc3[O-])CC2)cn1 ZINC000092809342 392232494 /nfs/dbraw/zinc/23/24/94/392232494.db2.gz FYQHLFTXTWEMKA-UHFFFAOYSA-N 0 3 299.418 3.297 10 10 CGCEHN COc1ccc(O)c(CN[C@@H](C)c2cccc(F)c2)c1 ZINC000020148085 171036078 /nfs/dbraw/zinc/03/60/78/171036078.db2.gz WOLSZPUYQZTMSV-NSHDSACASA-N 0 3 275.323 3.391 10 10 CGCEHN COc1ccc([O-])c(C[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000020148085 171036081 /nfs/dbraw/zinc/03/60/81/171036081.db2.gz WOLSZPUYQZTMSV-NSHDSACASA-N 0 3 275.323 3.391 10 10 CGCEHN Nc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 ZINC000020383080 171173425 /nfs/dbraw/zinc/17/34/25/171173425.db2.gz HAVOJRLBAZCFEF-UHFFFAOYSA-N 0 3 281.403 3.345 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+]Cc2ccc(O)cc2[O-])cc1 ZINC000037769889 173701914 /nfs/dbraw/zinc/70/19/14/173701914.db2.gz DVGZPLHSRCSBAK-LBPRGKRZSA-N 0 3 257.333 3.257 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccc1[O-] ZINC000248573215 329898410 /nfs/dbraw/zinc/89/84/10/329898410.db2.gz RYNOKULOAIBPEQ-OCVGTWLNSA-N 0 3 275.392 3.246 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCN2CCC[C@@H]2C1 ZINC000134199149 334084128 /nfs/dbraw/zinc/08/41/28/334084128.db2.gz TWOPCOLIONUUOK-ZBFHGGJFSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCN2CCC[C@@H]2C1 ZINC000134199149 334084129 /nfs/dbraw/zinc/08/41/29/334084129.db2.gz TWOPCOLIONUUOK-ZBFHGGJFSA-N 0 3 274.408 3.013 10 10 CGCEHN CCC[C@H]([NH3+])c1cc(Br)cc(C)c1[O-] ZINC000095769627 619726789 /nfs/dbraw/zinc/72/67/89/619726789.db2.gz IPYVFCVBKOKANO-JTQLQIEISA-N 0 3 258.159 3.263 10 10 CGCEHN CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617577 640798459 /nfs/dbraw/zinc/79/84/59/640798459.db2.gz YMEOZJAZWSQVIE-OCCSQVGLSA-N 0 3 282.403 3.158 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000179584647 392704163 /nfs/dbraw/zinc/70/41/63/392704163.db2.gz BUVCKSMXHWFCGR-PKOBYXMFSA-N 0 3 297.398 3.480 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000179584647 392704175 /nfs/dbraw/zinc/70/41/75/392704175.db2.gz BUVCKSMXHWFCGR-PKOBYXMFSA-N 0 3 297.398 3.480 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1[O-] ZINC000248548183 329891690 /nfs/dbraw/zinc/89/16/90/329891690.db2.gz GPLNKSZDIANEAR-WTTBNOFXSA-N 0 3 287.403 3.391 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000133949336 334074796 /nfs/dbraw/zinc/07/47/96/334074796.db2.gz NUNDAIQLBRAJFD-GOEBONIOSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000133949336 334074797 /nfs/dbraw/zinc/07/47/97/334074797.db2.gz NUNDAIQLBRAJFD-GOEBONIOSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@H]([NH2+]Cc1cccc(O)c1[O-])c1cccs1 ZINC000049529648 522655346 /nfs/dbraw/zinc/65/53/46/522655346.db2.gz JZOMPPXSNHOFPY-NSHDSACASA-N 0 3 263.362 3.400 10 10 CGCEHN CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617578 619285621 /nfs/dbraw/zinc/28/56/21/619285621.db2.gz YMEOZJAZWSQVIE-TZMCWYRMSA-N 0 3 282.403 3.158 10 10 CGCEHN Oc1cc2c(cc1CN1CCC[C@H]1c1ccco1)OCO2 ZINC000116256621 370554117 /nfs/dbraw/zinc/55/41/17/370554117.db2.gz OHSOMRBDNBGQTK-LBPRGKRZSA-N 0 3 287.315 3.051 10 10 CGCEHN C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1[O-] ZINC000248395366 377305556 /nfs/dbraw/zinc/30/55/56/377305556.db2.gz YTGWFQBUDPOWEP-JFOHDYCDSA-N 0 3 287.403 3.391 10 10 CGCEHN COCCN[C@@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000253495323 377695513 /nfs/dbraw/zinc/69/55/13/377695513.db2.gz MFUFDHXPSZKSHX-KBPBESRZSA-N 0 3 294.414 3.359 10 10 CGCEHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812836 392232226 /nfs/dbraw/zinc/23/22/26/392232226.db2.gz KFTVEPGTSUKSDW-HNNXBMFYSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812836 392232229 /nfs/dbraw/zinc/23/22/29/392232229.db2.gz KFTVEPGTSUKSDW-HNNXBMFYSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000179567700 392704619 /nfs/dbraw/zinc/70/46/19/392704619.db2.gz XJIVBLCJRWEAGN-HNNXBMFYSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000179567700 392704622 /nfs/dbraw/zinc/70/46/22/392704622.db2.gz XJIVBLCJRWEAGN-HNNXBMFYSA-N 0 3 297.402 3.030 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000211272209 392985347 /nfs/dbraw/zinc/98/53/47/392985347.db2.gz KZEVYPXGCVHLAO-DJIMGWMZSA-N 0 3 288.435 3.259 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H]2[C@H](CCCN2C)C1 ZINC000211272209 392985351 /nfs/dbraw/zinc/98/53/51/392985351.db2.gz KZEVYPXGCVHLAO-DJIMGWMZSA-N 0 3 288.435 3.259 10 10 CGCEHN C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1[O-] ZINC000020129332 171017365 /nfs/dbraw/zinc/01/73/65/171017365.db2.gz XIRDCARCYJDNQR-PBHICJAKSA-N 0 3 284.403 3.346 10 10 CGCEHN COc1ccc([C@H](C)[NH2+]Cc2cccs2)c([O-])c1 ZINC000020139637 171026837 /nfs/dbraw/zinc/02/68/37/171026837.db2.gz YPJGNBRKYNEXRN-JTQLQIEISA-N 0 3 263.362 3.313 10 10 CGCEHN COc1ccc(O)c([C@@H](C)N[C@@H](C)c2ccco2)c1 ZINC000035738904 172392604 /nfs/dbraw/zinc/39/26/04/172392604.db2.gz XVIQKXHZXLDTKU-MNOVXSKESA-N 0 3 261.321 3.406 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000180138129 329217746 /nfs/dbraw/zinc/21/77/46/329217746.db2.gz QUOCWKWVELOCQX-CYBMUJFWSA-N 0 3 261.296 3.461 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1c1ccco1 ZINC000180138129 329217748 /nfs/dbraw/zinc/21/77/48/329217748.db2.gz QUOCWKWVELOCQX-CYBMUJFWSA-N 0 3 261.296 3.461 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000185465952 329274018 /nfs/dbraw/zinc/27/40/18/329274018.db2.gz OKBXLWVURVHYTP-IWEFOYFVSA-N 0 3 283.371 3.010 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000248489031 329894643 /nfs/dbraw/zinc/89/46/43/329894643.db2.gz HDADHRVGFRBFOZ-SHFYGJNESA-N 0 3 275.392 3.309 10 10 CGCEHN Cc1ccc(O)c([C@H](C)N[C@H]2c3ccccc3C[C@H]2O)c1 ZINC000248491093 377331423 /nfs/dbraw/zinc/33/14/23/377331423.db2.gz INYOIWVPNVTLCK-RZAIGCCYSA-N 0 3 283.371 3.010 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)c1 ZINC000248491093 377331434 /nfs/dbraw/zinc/33/14/34/377331434.db2.gz INYOIWVPNVTLCK-RZAIGCCYSA-N 0 3 283.371 3.010 10 10 CGCEHN [NH3+][C@H](CCF)c1ccc(OCc2ccccc2)cc1[O-] ZINC000575438048 377909764 /nfs/dbraw/zinc/90/97/64/377909764.db2.gz CWLYPVWOTJNXAU-OAHLLOKOSA-N 0 3 275.323 3.331 10 10 CGCEHN COc1cccc(C[NH2+][C@@H](C)c2cccs2)c1[O-] ZINC000020148292 171036336 /nfs/dbraw/zinc/03/63/36/171036336.db2.gz VKVURQHJJMAKFW-JTQLQIEISA-N 0 3 263.362 3.313 10 10 CGCEHN [O-]c1ccc2ccccc2c1C[NH2+]Cc1ccco1 ZINC000022221736 171378182 /nfs/dbraw/zinc/37/81/82/171378182.db2.gz GTMLPDWEANEJDY-UHFFFAOYSA-N 0 3 253.301 3.428 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c([O-])c1 ZINC000185466414 329273943 /nfs/dbraw/zinc/27/39/43/329273943.db2.gz YRCWWZITMZOFDK-IWEFOYFVSA-N 0 3 283.371 3.010 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000133949140 334074717 /nfs/dbraw/zinc/07/47/17/334074717.db2.gz NUNDAIQLBRAJFD-HOCLYGCPSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000133949140 334074718 /nfs/dbraw/zinc/07/47/18/334074718.db2.gz NUNDAIQLBRAJFD-HOCLYGCPSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251254887 334359030 /nfs/dbraw/zinc/35/90/30/334359030.db2.gz NBTXOIXRJACKQG-HOCLYGCPSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCN2CCCC[C@H]2C1 ZINC000251254887 334359032 /nfs/dbraw/zinc/35/90/32/334359032.db2.gz NBTXOIXRJACKQG-HOCLYGCPSA-N 0 3 274.408 3.013 10 10 CGCEHN COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000040490942 525154497 /nfs/dbraw/zinc/15/44/97/525154497.db2.gz SZIJHHPZYLOHAX-GFCCVEGCSA-N 0 3 287.359 3.260 10 10 CGCEHN Oc1ccc(CN[C@@H]2CCCc3sccc32)cc1O ZINC000061331008 526344315 /nfs/dbraw/zinc/34/43/15/526344315.db2.gz SFGJJLGMUIZXQD-GFCCVEGCSA-N 0 3 275.373 3.327 10 10 CGCEHN [O-]c1ccccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000037074279 526373663 /nfs/dbraw/zinc/37/36/63/526373663.db2.gz JXOOWBAFTURLIQ-AWEZNQCLSA-N 0 3 255.317 3.006 10 10 CGCEHN C[C@H](NC[C@@H]1CCCO1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550897 368808722 /nfs/dbraw/zinc/80/87/22/368808722.db2.gz DCBCOYCZMOAWCN-ZFWWWQNUSA-N 0 3 292.398 3.256 10 10 CGCEHN C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000281582218 296130092 /nfs/dbraw/zinc/13/00/92/296130092.db2.gz LCQDOUXKQSAOHN-XJFOESAGSA-N 0 3 263.381 3.246 10 10 CGCEHN COc1ccc(O)c([C@H](C)N[C@@H]2COc3ccccc32)c1 ZINC000070528554 369803675 /nfs/dbraw/zinc/80/36/75/369803675.db2.gz XBXJPGGFGCWYPQ-XHDPSFHLSA-N 0 3 285.343 3.185 10 10 CGCEHN Cc1cccc(CN[C@@H](C)c2cc(O)ccc2O)c1 ZINC000020134156 171021815 /nfs/dbraw/zinc/02/18/15/171021815.db2.gz PDGDAZARHJRYNH-LBPRGKRZSA-N 0 3 257.333 3.257 10 10 CGCEHN CN1CCc2cc(CN[C@@H]3CCCc4occc43)ccc21 ZINC000050286325 260685888 /nfs/dbraw/zinc/68/58/88/260685888.db2.gz LGWALVBNTAHSPM-MRXNPFEDSA-N 0 3 282.387 3.439 10 10 CGCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000179950036 329213689 /nfs/dbraw/zinc/21/36/89/329213689.db2.gz QEEUIXIFKCKMFN-MRXNPFEDSA-N 0 3 298.386 3.087 10 10 CGCEHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000179950036 329213690 /nfs/dbraw/zinc/21/36/90/329213690.db2.gz QEEUIXIFKCKMFN-MRXNPFEDSA-N 0 3 298.386 3.087 10 10 CGCEHN CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000180138388 329217994 /nfs/dbraw/zinc/21/79/94/329217994.db2.gz OVGRFVQRCANMOX-MRXNPFEDSA-N 0 3 299.418 3.297 10 10 CGCEHN CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000180138388 329217996 /nfs/dbraw/zinc/21/79/96/329217996.db2.gz OVGRFVQRCANMOX-MRXNPFEDSA-N 0 3 299.418 3.297 10 10 CGCEHN C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc(F)ccc1[O-] ZINC000248879362 329901634 /nfs/dbraw/zinc/90/16/34/329901634.db2.gz RLHBVWFKHSDTMO-YNZJMPHRSA-N 0 3 279.355 3.140 10 10 CGCEHN Cc1ccc(C[NH2+][C@@H](C)c2ccc(O)cc2[O-])s1 ZINC000050225159 524592473 /nfs/dbraw/zinc/59/24/73/524592473.db2.gz OPBHECBGKSOZFY-JTQLQIEISA-N 0 3 263.362 3.319 10 10 CGCEHN C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000183591856 329250715 /nfs/dbraw/zinc/25/07/15/329250715.db2.gz BBTZTELSMOCWTB-SWLSCSKDSA-N 0 3 296.370 3.169 10 10 CGCEHN CC[C@@H]([NH2+]Cc1ccc(O)cc1[O-])c1cccs1 ZINC000049528835 522878357 /nfs/dbraw/zinc/87/83/57/522878357.db2.gz FVEQPTVBHUXEQR-GFCCVEGCSA-N 0 3 263.362 3.400 10 10 CGCEHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000226582708 622983402 /nfs/dbraw/zinc/98/34/02/622983402.db2.gz NNVJIRAWAHWMFK-MRXNPFEDSA-N 0 3 271.335 3.178 10 10 CGCEHN COc1ccc(C[NH2+][C@@H]2CCc3ccccc32)c([O-])c1 ZINC000040905930 639898489 /nfs/dbraw/zinc/89/84/89/639898489.db2.gz CAJKFUQAYUXCDV-MRXNPFEDSA-N 0 3 269.344 3.178 10 10 CGCEHN C[C@@H](NC[C@H]1CCCO1)c1ccc(N2CCCC2)c(F)c1 ZINC000020550899 368808180 /nfs/dbraw/zinc/80/81/80/368808180.db2.gz DCBCOYCZMOAWCN-UKRRQHHQSA-N 0 3 292.398 3.256 10 10 CGCEHN COc1cccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000092758109 370100797 /nfs/dbraw/zinc/10/07/97/370100797.db2.gz ZIPMHEDTSBPZQE-INIZCTEOSA-N 0 3 298.386 3.087 10 10 CGCEHN COc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000092758109 370100801 /nfs/dbraw/zinc/10/08/01/370100801.db2.gz ZIPMHEDTSBPZQE-INIZCTEOSA-N 0 3 298.386 3.087 10 10 CGCEHN COc1cc(O)c(CN[C@H](C)c2ccc(C)o2)cc1OC ZINC000181390671 374116437 /nfs/dbraw/zinc/11/64/37/374116437.db2.gz LFEPSFJDKPHIGQ-LLVKDONJSA-N 0 3 291.347 3.162 10 10 CGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248740794 377390735 /nfs/dbraw/zinc/39/07/35/377390735.db2.gz FBAHDMRHLPWYOY-PLQHRBFRSA-N 0 3 291.391 3.009 10 10 CGCEHN COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)c([O-])c1 ZINC000020128036 171014306 /nfs/dbraw/zinc/01/43/06/171014306.db2.gz RTYWBIOSPWUUOV-RYUDHWBXSA-N 0 3 272.348 3.208 10 10 CGCEHN C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1[O-] ZINC000020129334 171017262 /nfs/dbraw/zinc/01/72/62/171017262.db2.gz XIRDCARCYJDNQR-RHSMWYFYSA-N 0 3 284.403 3.346 10 10 CGCEHN CC(C)N(Cc1ccc(N)cc1)Cc1cccnc1 ZINC000035365360 172154938 /nfs/dbraw/zinc/15/49/38/172154938.db2.gz AZRKCCOAGYUUBH-UHFFFAOYSA-N 0 3 255.365 3.074 10 10 CGCEHN Cc1cc([O-])c(C[NH+]2CCC(c3ccnn3C)CC2)cc1C ZINC000152194596 261061320 /nfs/dbraw/zinc/06/13/20/261061320.db2.gz BGQYWBMRDJOGRO-UHFFFAOYSA-N 0 3 299.418 3.122 10 10 CGCEHN Cc1cc([O-])c(C[NH+]2CCC(Cn3cccn3)CC2)cc1C ZINC000152753398 261069039 /nfs/dbraw/zinc/06/90/39/261069039.db2.gz ODBSTSVYFNNZAT-UHFFFAOYSA-N 0 3 299.418 3.118 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000217852590 333124622 /nfs/dbraw/zinc/12/46/22/333124622.db2.gz NUNDAIQLBRAJFD-GDBMZVCRSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000217852590 333124623 /nfs/dbraw/zinc/12/46/23/333124623.db2.gz NUNDAIQLBRAJFD-GDBMZVCRSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCCN2CCC[C@@H]2C1 ZINC000134199265 334084090 /nfs/dbraw/zinc/08/40/90/334084090.db2.gz TWOPCOLIONUUOK-GDBMZVCRSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCCN2CCC[C@@H]2C1 ZINC000134199265 334084091 /nfs/dbraw/zinc/08/40/91/334084091.db2.gz TWOPCOLIONUUOK-GDBMZVCRSA-N 0 3 274.408 3.013 10 10 CGCEHN C[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000171606490 623178720 /nfs/dbraw/zinc/17/87/20/623178720.db2.gz LZNIHTCULZKWKX-NSHDSACASA-N 0 3 295.448 3.333 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000179584686 373890267 /nfs/dbraw/zinc/89/02/67/373890267.db2.gz BUVCKSMXHWFCGR-MJGOQNOKSA-N 0 3 297.398 3.480 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000179584686 373890274 /nfs/dbraw/zinc/89/02/74/373890274.db2.gz BUVCKSMXHWFCGR-MJGOQNOKSA-N 0 3 297.398 3.480 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c([O-])c1 ZINC000248498110 377331636 /nfs/dbraw/zinc/33/16/36/377331636.db2.gz MCIFFHNQRQJBDW-CRNXPOROSA-N 0 3 275.392 3.309 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)c([O-])c1 ZINC000186101749 262080301 /nfs/dbraw/zinc/08/03/01/262080301.db2.gz PMMVVOOCVZTRHT-DZKIICNBSA-N 0 3 276.424 3.080 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCCOC(C)(C)C1 ZINC000312064336 262347158 /nfs/dbraw/zinc/34/71/58/262347158.db2.gz DWJNUGCZCOGYQD-AWEZNQCLSA-N 0 3 263.381 3.344 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCCOC(C)(C)C1 ZINC000312064336 262347160 /nfs/dbraw/zinc/34/71/60/262347160.db2.gz DWJNUGCZCOGYQD-AWEZNQCLSA-N 0 3 263.381 3.344 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000179567273 329209793 /nfs/dbraw/zinc/20/97/93/329209793.db2.gz JCLZVBXDUMCDKS-ZDUSSCGKSA-N 0 3 274.389 3.228 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000179567273 329209794 /nfs/dbraw/zinc/20/97/94/329209794.db2.gz JCLZVBXDUMCDKS-ZDUSSCGKSA-N 0 3 274.389 3.228 10 10 CGCEHN Cc1cc([O-])c(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1C ZINC000092810788 370102022 /nfs/dbraw/zinc/10/20/22/370102022.db2.gz FTNCVSJUEBMYMN-UHFFFAOYSA-N 0 3 285.391 3.112 10 10 CGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000248483721 377330377 /nfs/dbraw/zinc/33/03/77/377330377.db2.gz CXGHDKAFHVDVLV-IYDIDCQVSA-N 0 3 291.391 3.009 10 10 CGCEHN [O-]c1cc2c(cc1C[N@@H+]1CCCC13CCCC3)OCO2 ZINC000365528065 382288957 /nfs/dbraw/zinc/28/89/57/382288957.db2.gz JWVHSFJOVAURPS-UHFFFAOYSA-N 0 3 275.348 3.030 10 10 CGCEHN [O-]c1cc2c(cc1C[N@H+]1CCCC13CCCC3)OCO2 ZINC000365528065 382288968 /nfs/dbraw/zinc/28/89/68/382288968.db2.gz JWVHSFJOVAURPS-UHFFFAOYSA-N 0 3 275.348 3.030 10 10 CGCEHN COc1ccc([C@H]([NH2+]C2CC2)c2ccccc2)c([O-])c1 ZINC000022147132 171357201 /nfs/dbraw/zinc/35/72/01/171357201.db2.gz PCPSAOZJCYTVGH-QGZVFWFLSA-N 0 3 269.344 3.242 10 10 CGCEHN Cc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000179986669 261829516 /nfs/dbraw/zinc/82/95/16/261829516.db2.gz ZGSFCWDVCOQWTA-OAHLLOKOSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1cccc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)c1[O-] ZINC000179986669 261829518 /nfs/dbraw/zinc/82/95/18/261829518.db2.gz ZGSFCWDVCOQWTA-OAHLLOKOSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1cccc(CN2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000180262595 329219206 /nfs/dbraw/zinc/21/92/06/329219206.db2.gz YRPOVDVCNBCMTN-HNNXBMFYSA-N 0 3 271.364 3.151 10 10 CGCEHN Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1[O-] ZINC000180262595 329219207 /nfs/dbraw/zinc/21/92/07/329219207.db2.gz YRPOVDVCNBCMTN-HNNXBMFYSA-N 0 3 271.364 3.151 10 10 CGCEHN Cc1cccc(C[N@H+]2CCCC[C@H]2c2cn[nH]c2)c1[O-] ZINC000180262595 329219208 /nfs/dbraw/zinc/21/92/08/329219208.db2.gz YRPOVDVCNBCMTN-HNNXBMFYSA-N 0 3 271.364 3.151 10 10 CGCEHN CCCC[C@H](C)[NH2+]Cc1cccc(OCC)c1[O-] ZINC000050886970 521149181 /nfs/dbraw/zinc/14/91/81/521149181.db2.gz XTQDJGSVOUEZJR-LBPRGKRZSA-N 0 3 251.370 3.459 10 10 CGCEHN [O-]c1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479699 370135484 /nfs/dbraw/zinc/13/54/84/370135484.db2.gz FTEWMKVJQYLYNO-RTHVDDQRSA-N 0 3 297.398 3.138 10 10 CGCEHN [O-]c1ccc2ccccc2c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479699 370135489 /nfs/dbraw/zinc/13/54/89/370135489.db2.gz FTEWMKVJQYLYNO-RTHVDDQRSA-N 0 3 297.398 3.138 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCC[C@@]12CCOC2 ZINC000311771951 374255155 /nfs/dbraw/zinc/25/51/55/374255155.db2.gz GPGPFIZROVECDB-HOCLYGCPSA-N 0 3 261.365 3.098 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCC[C@@]12CCOC2 ZINC000311771951 374255159 /nfs/dbraw/zinc/25/51/59/374255159.db2.gz GPGPFIZROVECDB-HOCLYGCPSA-N 0 3 261.365 3.098 10 10 CGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248740801 377392120 /nfs/dbraw/zinc/39/21/20/377392120.db2.gz FBAHDMRHLPWYOY-XTQGRXLLSA-N 0 3 291.391 3.009 10 10 CGCEHN COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)c([O-])c1 ZINC000020121831 171001478 /nfs/dbraw/zinc/00/14/78/171001478.db2.gz FCHJPZPRPVLEAW-VXGBXAGGSA-N 0 3 272.348 3.208 10 10 CGCEHN C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000183591872 329250872 /nfs/dbraw/zinc/25/08/72/329250872.db2.gz BBTZTELSMOCWTB-IUODEOHRSA-N 0 3 296.370 3.169 10 10 CGCEHN C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1ccccc1[O-] ZINC000248385174 329890822 /nfs/dbraw/zinc/89/08/22/329890822.db2.gz HLZPOMGJZWOGPV-CWRNSKLLSA-N 0 3 285.391 3.423 10 10 CGCEHN COc1cccc(CN[C@@H]2CCOc3ccccc32)c1O ZINC000037074356 526033697 /nfs/dbraw/zinc/03/36/97/526033697.db2.gz NHYFLKOQNSETRW-CQSZACIVSA-N 0 3 285.343 3.014 10 10 CGCEHN Cc1ccc(C)n1-c1ccccc1OCCN(C)C ZINC000584602002 346689947 /nfs/dbraw/zinc/68/99/47/346689947.db2.gz WHIKQLQYMPUQTR-UHFFFAOYSA-N 0 3 258.365 3.035 10 10 CGCEHN CCN1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000027518486 368871525 /nfs/dbraw/zinc/87/15/25/368871525.db2.gz YPNFSVPDCPRGIG-CQSZACIVSA-N 0 3 281.355 3.240 10 10 CGCEHN CCOc1cccc(C[NH2+][C@@H](CC)C(C)C)c1[O-] ZINC000042584857 369225824 /nfs/dbraw/zinc/22/58/24/369225824.db2.gz XZDPQTAZVCEMOG-ZDUSSCGKSA-N 0 3 251.370 3.315 10 10 CGCEHN C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1[O-] ZINC000248383515 377301239 /nfs/dbraw/zinc/30/12/39/377301239.db2.gz AJDGLFQDKHDILT-DCDXPUDHSA-N 0 3 261.365 3.000 10 10 CGCEHN Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000180135932 329211915 /nfs/dbraw/zinc/21/19/15/329211915.db2.gz TVEPABGERQKBNY-MRXNPFEDSA-N 0 3 299.418 3.388 10 10 CGCEHN Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000180135932 329211916 /nfs/dbraw/zinc/21/19/16/329211916.db2.gz TVEPABGERQKBNY-MRXNPFEDSA-N 0 3 299.418 3.388 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000251173077 334357793 /nfs/dbraw/zinc/35/77/93/334357793.db2.gz BXAMRXCSZDJDHQ-INMHGKMJSA-N 0 3 275.392 3.487 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000251173077 334357794 /nfs/dbraw/zinc/35/77/94/334357794.db2.gz BXAMRXCSZDJDHQ-INMHGKMJSA-N 0 3 275.392 3.487 10 10 CGCEHN Cc1cc([O-])c([C@H]([NH3+])C(C)C)c(C)c1Br ZINC000095717462 619287221 /nfs/dbraw/zinc/28/72/21/619287221.db2.gz FPGNSDBWHMNTBH-GFCCVEGCSA-N 0 3 272.186 3.427 10 10 CGCEHN CC(=O)Oc1c(C(C)(C)C)cc([O-])c(C[NH3+])c1C(C)(C)C ZINC000136016031 346089406 /nfs/dbraw/zinc/08/94/06/346089406.db2.gz DJFANDMJDMYQFC-UHFFFAOYSA-N 0 3 293.407 3.371 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccccc1[O-] ZINC000248549971 377344938 /nfs/dbraw/zinc/34/49/38/377344938.db2.gz HPSWWFAKVXVDPH-CGTJXYLNSA-N 0 3 283.371 3.091 10 10 CGCEHN Cc1cccc(C[NH2+][C@@H](C)c2ccc(O)cc2[O-])c1 ZINC000020134075 171021783 /nfs/dbraw/zinc/02/17/83/171021783.db2.gz UAXLPNJGXNDXDD-LBPRGKRZSA-N 0 3 257.333 3.257 10 10 CGCEHN COc1ccc(O)c(CN2CCC[C@H]2c2ccco2)c1 ZINC000180193399 329218190 /nfs/dbraw/zinc/21/81/90/329218190.db2.gz ZNTBZMGFYGJJEQ-AWEZNQCLSA-N 0 3 273.332 3.331 10 10 CGCEHN CC[C@H]1CCCN1c1c(F)cc(CNC)cc1F ZINC000062711510 523111069 /nfs/dbraw/zinc/11/10/69/523111069.db2.gz WJULSRHKWHGBNE-NSHDSACASA-N 0 3 254.324 3.063 10 10 CGCEHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000226582717 622984203 /nfs/dbraw/zinc/98/42/03/622984203.db2.gz NNVJIRAWAHWMFK-INIZCTEOSA-N 0 3 271.335 3.178 10 10 CGCEHN COCCNCc1ccccc1Sc1nccs1 ZINC000104287597 185956455 /nfs/dbraw/zinc/95/64/55/185956455.db2.gz ZGZBTIVIVISLMS-UHFFFAOYSA-N 0 3 280.418 3.030 10 10 CGCEHN Cc1cccc(C[NH2+][C@@H](CN(C)C)c2ccccc2)c1[O-] ZINC000158083406 392555345 /nfs/dbraw/zinc/55/53/45/392555345.db2.gz QNXQVPMGIQVPDV-KRWDZBQOSA-N 0 3 284.403 3.093 10 10 CGCEHN Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccccc3[O-])C2)n1 ZINC000179567712 392705001 /nfs/dbraw/zinc/70/50/01/392705001.db2.gz XJIVBLCJRWEAGN-OAHLLOKOSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccccc3[O-])C2)n1 ZINC000179567712 392705008 /nfs/dbraw/zinc/70/50/08/392705008.db2.gz XJIVBLCJRWEAGN-OAHLLOKOSA-N 0 3 297.402 3.030 10 10 CGCEHN Cc1ccccc1[C@H](C)NCc1ccc(O)c(O)c1 ZINC000020126133 171009883 /nfs/dbraw/zinc/00/98/83/171009883.db2.gz SDMJIQDLXWQFGX-LBPRGKRZSA-N 0 3 257.333 3.257 10 10 CGCEHN c1ccc2c(c1)CC[C@@H]2NCc1ccc2c(c1)CCO2 ZINC000037362810 260094707 /nfs/dbraw/zinc/09/47/07/260094707.db2.gz ORYHWFOMFUMGTR-KRWDZBQOSA-N 0 3 265.356 3.399 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000180029539 329214616 /nfs/dbraw/zinc/21/46/16/329214616.db2.gz JWMXQDHVAMMOAC-NSHDSACASA-N 0 3 292.379 3.367 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](c2nccs2)C1 ZINC000180029539 329214617 /nfs/dbraw/zinc/21/46/17/329214617.db2.gz JWMXQDHVAMMOAC-NSHDSACASA-N 0 3 292.379 3.367 10 10 CGCEHN COc1ccc(O)c(CN[C@H](C)c2ccc(C)o2)c1 ZINC000036959909 524756046 /nfs/dbraw/zinc/75/60/46/524756046.db2.gz OWTQGYAUWQABKQ-LLVKDONJSA-N 0 3 261.321 3.153 10 10 CGCEHN C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[O-] ZINC000281582213 299311493 /nfs/dbraw/zinc/31/14/93/299311493.db2.gz LCQDOUXKQSAOHN-CRWXNKLISA-N 0 3 263.381 3.246 10 10 CGCEHN Oc1ccc(CN[C@@H]2CCCc3ccccc32)cc1O ZINC000020133476 171020996 /nfs/dbraw/zinc/02/09/96/171020996.db2.gz VOOKNTNVXAQLHM-OAHLLOKOSA-N 0 3 269.344 3.265 10 10 CGCEHN CC(C)N(C)c1c(F)cc(CNC2CC2)cc1F ZINC000062709515 519632186 /nfs/dbraw/zinc/63/21/86/519632186.db2.gz KDACFUAMOKQKAL-UHFFFAOYSA-N 0 3 254.324 3.061 10 10 CGCEHN C[C@H](c1ccccc1)N1CCN(c2ccc(N)cc2)CC1 ZINC000011756059 136565098 /nfs/dbraw/zinc/56/50/98/136565098.db2.gz MUCYQIPNCDKESN-OAHLLOKOSA-N 0 3 281.403 3.152 10 10 CGCEHN CCn1cc(C2CC[NH+](Cc3cccc(C)c3[O-])CC2)cn1 ZINC000179979481 373950841 /nfs/dbraw/zinc/95/08/41/373950841.db2.gz KSLXJDRURDPZDS-UHFFFAOYSA-N 0 3 299.418 3.297 10 10 CGCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1[O-] ZINC000249185394 377473862 /nfs/dbraw/zinc/47/38/62/377473862.db2.gz NYOGYZDORHWYNQ-BFHYXJOUSA-N 0 3 281.783 3.011 10 10 CGCEHN CN(C)c1ccc(CN[C@@H]2CCOc3ccccc32)cc1 ZINC000020146120 171032045 /nfs/dbraw/zinc/03/20/45/171032045.db2.gz PYSCYJFXTMPQRT-QGZVFWFLSA-N 0 3 282.387 3.366 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248750665 329898734 /nfs/dbraw/zinc/89/87/34/329898734.db2.gz FTMGZAVWFCJSOX-DXCKQFNASA-N 0 3 275.392 3.309 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000217852500 333124655 /nfs/dbraw/zinc/12/46/55/333124655.db2.gz NUNDAIQLBRAJFD-ZBFHGGJFSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000217852500 333124656 /nfs/dbraw/zinc/12/46/56/333124656.db2.gz NUNDAIQLBRAJFD-ZBFHGGJFSA-N 0 3 274.408 3.013 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000251169387 334357553 /nfs/dbraw/zinc/35/75/53/334357553.db2.gz BKJWLSZIRUWAHA-YCPHGPKFSA-N 0 3 274.408 3.012 10 10 CGCEHN CC[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000251169387 334357554 /nfs/dbraw/zinc/35/75/54/334357554.db2.gz BKJWLSZIRUWAHA-YCPHGPKFSA-N 0 3 274.408 3.012 10 10 CGCEHN COc1ccc([C@H](C)[NH2+]Cc2ccccc2[O-])cc1OC ZINC000040490941 525326675 /nfs/dbraw/zinc/32/66/75/525326675.db2.gz SZIJHHPZYLOHAX-LBPRGKRZSA-N 0 3 287.359 3.260 10 10 CGCEHN CC(C)c1cc(Br)cc([C@H](C)[NH3+])c1[O-] ZINC000757143073 617792779 /nfs/dbraw/zinc/79/27/79/617792779.db2.gz DUYDGHQLSKWGLU-ZETCQYMHSA-N 0 3 258.159 3.298 10 10 CGCEHN C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1[O-] ZINC000281582216 299286417 /nfs/dbraw/zinc/28/64/17/299286417.db2.gz LCQDOUXKQSAOHN-UPJWGTAASA-N 0 3 263.381 3.246 10 10 CGCEHN Oc1cc2c(cc1CN1CCC[C@@H]1c1ccco1)OCO2 ZINC000116256624 370553697 /nfs/dbraw/zinc/55/36/97/370553697.db2.gz OHSOMRBDNBGQTK-GFCCVEGCSA-N 0 3 287.315 3.051 10 10 CGCEHN Cc1cnn([C@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)c1 ZINC000180140360 373970441 /nfs/dbraw/zinc/97/04/41/373970441.db2.gz LJYOGOMVCXRCGW-INIZCTEOSA-N 0 3 285.391 3.043 10 10 CGCEHN Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)c1 ZINC000180140360 373970443 /nfs/dbraw/zinc/97/04/43/373970443.db2.gz LJYOGOMVCXRCGW-INIZCTEOSA-N 0 3 285.391 3.043 10 10 CGCEHN COc1cc(O)c(CN[C@@H](C)c2ccc(C)o2)cc1OC ZINC000181390691 374116357 /nfs/dbraw/zinc/11/63/57/374116357.db2.gz LFEPSFJDKPHIGQ-NSHDSACASA-N 0 3 291.347 3.162 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c([O-])c1 ZINC000248498112 377331030 /nfs/dbraw/zinc/33/10/30/377331030.db2.gz MCIFFHNQRQJBDW-FAYQHZLMSA-N 0 3 275.392 3.309 10 10 CGCEHN [O-]c1ccccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000040768473 391985235 /nfs/dbraw/zinc/98/52/35/391985235.db2.gz SOHCGEKAAKCKRC-UHFFFAOYSA-N 0 3 279.343 3.072 10 10 CGCEHN C[C@@H]([NH2+]Cc1ccc(O)cc1[O-])c1cccc(F)c1 ZINC000020147818 171034904 /nfs/dbraw/zinc/03/49/04/171034904.db2.gz SZPUWHFKENKMRL-SNVBAGLBSA-N 0 3 261.296 3.088 10 10 CGCEHN CCCNCc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000041010060 174448735 /nfs/dbraw/zinc/44/87/35/174448735.db2.gz SADQQCCDCWKBQZ-UHFFFAOYSA-N 0 3 275.421 3.376 10 10 CGCEHN COc1ccc(O)c([C@@H](C)N[C@@H]2COc3ccccc32)c1 ZINC000070528555 326917645 /nfs/dbraw/zinc/91/76/45/326917645.db2.gz XBXJPGGFGCWYPQ-IAQYHMDHSA-N 0 3 285.343 3.185 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@H]2CCCN2C[C@@H]1C ZINC000251237003 334358482 /nfs/dbraw/zinc/35/84/82/334358482.db2.gz LJQQYYIKUGDVOA-SQWLQELKSA-N 0 3 274.408 3.012 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@H]2CCCN2C[C@@H]1C ZINC000251237003 334358483 /nfs/dbraw/zinc/35/84/83/334358483.db2.gz LJQQYYIKUGDVOA-SQWLQELKSA-N 0 3 274.408 3.012 10 10 CGCEHN COc1cccc(CN[C@@H](C)c2ccc(C)o2)c1O ZINC000036960298 526032114 /nfs/dbraw/zinc/03/21/14/526032114.db2.gz LOOXBQWSIMFYOV-NSHDSACASA-N 0 3 261.321 3.153 10 10 CGCEHN [NH3+][C@H](c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000757145387 617802462 /nfs/dbraw/zinc/80/24/62/617802462.db2.gz MAMGKCHKTYVCDO-KRWDZBQOSA-N 0 3 253.345 3.393 10 10 CGCEHN c1csc(SCCNCc2ccccc2)n1 ZINC000053646941 345124131 /nfs/dbraw/zinc/12/41/31/345124131.db2.gz IKJHTHDLBPNEDO-UHFFFAOYSA-N 0 3 250.392 3.025 10 10 CGCEHN COc1ccc([C@H](C)[NH2+]CCCC(C)C)c([O-])c1 ZINC000038093536 174107495 /nfs/dbraw/zinc/10/74/95/174107495.db2.gz SUVRALDMNBACRS-LBPRGKRZSA-N 0 3 251.370 3.488 10 10 CGCEHN COc1ccc(O)c([C@@H](C)N[C@H]2COc3ccccc32)c1 ZINC000070528557 326917730 /nfs/dbraw/zinc/91/77/30/326917730.db2.gz XBXJPGGFGCWYPQ-ABAIWWIYSA-N 0 3 285.343 3.185 10 10 CGCEHN Cc1cccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000179949918 329213875 /nfs/dbraw/zinc/21/38/75/329213875.db2.gz IUVVDDCEMQSLBT-KRWDZBQOSA-N 0 3 282.387 3.387 10 10 CGCEHN Cc1cccc(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1[O-] ZINC000179949918 329213876 /nfs/dbraw/zinc/21/38/76/329213876.db2.gz IUVVDDCEMQSLBT-KRWDZBQOSA-N 0 3 282.387 3.387 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000217804437 333124045 /nfs/dbraw/zinc/12/40/45/333124045.db2.gz CTFDEKMHKQMAGD-IJEWVQPXSA-N 0 3 261.365 3.097 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000217804437 333124047 /nfs/dbraw/zinc/12/40/47/333124047.db2.gz CTFDEKMHKQMAGD-IJEWVQPXSA-N 0 3 261.365 3.097 10 10 CGCEHN CCCCN(CC)c1ccc(CNCCOC)cc1 ZINC000062734522 520484845 /nfs/dbraw/zinc/48/48/45/520484845.db2.gz MOBALWMYXNSWEX-UHFFFAOYSA-N 0 3 264.413 3.049 10 10 CGCEHN C[C@@H](NCc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000135459197 637134031 /nfs/dbraw/zinc/13/40/31/637134031.db2.gz LJNQRGBBJDKOLD-LLVKDONJSA-N 0 3 272.304 3.151 10 10 CGCEHN COCCN[C@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569997 368808932 /nfs/dbraw/zinc/80/89/32/368808932.db2.gz MFUFDHXPSZKSHX-ZIAGYGMSSA-N 0 3 294.414 3.359 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245578975 376859893 /nfs/dbraw/zinc/85/98/93/376859893.db2.gz ANSRTAGCJGKQFQ-HIFRSBDPSA-N 0 3 263.406 3.252 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245578975 376859902 /nfs/dbraw/zinc/85/99/02/376859902.db2.gz ANSRTAGCJGKQFQ-HIFRSBDPSA-N 0 3 263.406 3.252 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000248489033 377331152 /nfs/dbraw/zinc/33/11/52/377331152.db2.gz HDADHRVGFRBFOZ-YOKBYHGQSA-N 0 3 275.392 3.309 10 10 CGCEHN CCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1[O-] ZINC000019505033 170816994 /nfs/dbraw/zinc/81/69/94/170816994.db2.gz SRFIIGROJADWLG-KRWDZBQOSA-N 0 3 271.360 3.490 10 10 CGCEHN Oc1ccc(CNCc2ccccc2Cl)c(O)c1 ZINC000019908194 170919971 /nfs/dbraw/zinc/91/99/71/170919971.db2.gz VHBKRMDJVBPNSQ-UHFFFAOYSA-N 0 3 263.724 3.041 10 10 CGCEHN Cc1cccc(C[NH2+][C@H](C)c2ccc(O)cc2[O-])c1 ZINC000020134072 171021905 /nfs/dbraw/zinc/02/19/05/171021905.db2.gz UAXLPNJGXNDXDD-GFCCVEGCSA-N 0 3 257.333 3.257 10 10 CGCEHN [O-]c1ccc2ccccc2c1C[NH2+]Cc1ccncc1 ZINC000020139791 171026568 /nfs/dbraw/zinc/02/65/68/171026568.db2.gz RTIACWDOJKGUBY-UHFFFAOYSA-N 0 3 264.328 3.230 10 10 CGCEHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000037167030 260071806 /nfs/dbraw/zinc/07/18/06/260071806.db2.gz RFCWZLORMDXSTN-UONOGXRCSA-N 0 3 294.439 3.028 10 10 CGCEHN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000180135951 329211845 /nfs/dbraw/zinc/21/18/45/329211845.db2.gz TVEPABGERQKBNY-INIZCTEOSA-N 0 3 299.418 3.388 10 10 CGCEHN Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000180135951 329211847 /nfs/dbraw/zinc/21/18/47/329211847.db2.gz TVEPABGERQKBNY-INIZCTEOSA-N 0 3 299.418 3.388 10 10 CGCEHN CCN1CCC([NH2+]Cc2c([O-])ccc3ccccc32)CC1 ZINC000038097904 521581551 /nfs/dbraw/zinc/58/15/51/521581551.db2.gz CGBJYSNSHNWGAU-UHFFFAOYSA-N 0 3 284.403 3.119 10 10 CGCEHN CN1CCc2cc(CN[C@H]3CCCc4occc43)ccc21 ZINC000050286326 369436409 /nfs/dbraw/zinc/43/64/09/369436409.db2.gz LGWALVBNTAHSPM-INIZCTEOSA-N 0 3 282.387 3.439 10 10 CGCEHN COc1cccc2c1CC[N@H+](Cc1ccccc1[O-])CC2 ZINC000194571381 376019065 /nfs/dbraw/zinc/01/90/65/376019065.db2.gz MHOIDDMZBBGHEW-UHFFFAOYSA-N 0 3 283.371 3.002 10 10 CGCEHN COc1cccc2c1CC[N@@H+](Cc1ccccc1[O-])CC2 ZINC000194571381 376019074 /nfs/dbraw/zinc/01/90/74/376019074.db2.gz MHOIDDMZBBGHEW-UHFFFAOYSA-N 0 3 283.371 3.002 10 10 CGCEHN Cc1cccc(CN[C@H]2CCOc3ccccc32)c1O ZINC000158065721 392553190 /nfs/dbraw/zinc/55/31/90/392553190.db2.gz MESXOABCUYJDIH-HNNXBMFYSA-N 0 3 269.344 3.314 10 10 CGCEHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000179584659 392704694 /nfs/dbraw/zinc/70/46/94/392704694.db2.gz BUVCKSMXHWFCGR-HKUYNNGSSA-N 0 3 297.398 3.480 10 10 CGCEHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000179584659 392704700 /nfs/dbraw/zinc/70/47/00/392704700.db2.gz BUVCKSMXHWFCGR-HKUYNNGSSA-N 0 3 297.398 3.480 10 10 CGCEHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2NCc1ccnc(C)n1 ZINC000038037455 174038141 /nfs/dbraw/zinc/03/81/41/174038141.db2.gz HPSHJQALPIUYQV-BXUZGUMPSA-N 0 3 283.375 3.137 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1[O-] ZINC000248573220 329898402 /nfs/dbraw/zinc/89/84/02/329898402.db2.gz RYNOKULOAIBPEQ-WMHQRMGPSA-N 0 3 275.392 3.246 10 10 CGCEHN COc1cc(Cl)cc(C[NH2+][C@@H](C)C(C)C)c1[O-] ZINC000228669302 522541475 /nfs/dbraw/zinc/54/14/75/522541475.db2.gz ACKTZCIHJCMOCO-VIFPVBQESA-N 0 3 257.761 3.188 10 10 CGCEHN Cc1ccc(O)c(CN[C@H]2CCOc3ccccc32)c1 ZINC000071407668 525355158 /nfs/dbraw/zinc/35/51/58/525355158.db2.gz NICMNKLOMJXHDV-HNNXBMFYSA-N 0 3 269.344 3.314 10 10 CGCEHN CC(=O)Nc1ccc([O-])c(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000584591157 346685716 /nfs/dbraw/zinc/68/57/16/346685716.db2.gz LKISZTUQFXGDDI-LBPRGKRZSA-N 0 3 284.359 3.201 10 10 CGCEHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000061360304 526360669 /nfs/dbraw/zinc/36/06/69/526360669.db2.gz ANQSXUWUYWVCDG-GFCCVEGCSA-N 0 3 275.373 3.327 10 10 CGCEHN Cc1cc(O)c(CN2CCO[C@@H]3CCCC[C@H]32)cc1C ZINC000251077014 619388134 /nfs/dbraw/zinc/38/81/34/619388134.db2.gz PYHIMYFEIINFQW-NVXWUHKLSA-N 0 3 275.392 3.152 10 10 CGCEHN CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000230934966 623284246 /nfs/dbraw/zinc/28/42/46/623284246.db2.gz LUTHZNCPVWJXKH-BXKDBHETSA-N 0 3 269.772 3.332 10 10 CGCEHN Cc1cc(O)c(CN2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000171361449 372743165 /nfs/dbraw/zinc/74/31/65/372743165.db2.gz VMGPKGCIXKEMDF-MRXNPFEDSA-N 0 3 285.391 3.080 10 10 CGCEHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000171361449 372743171 /nfs/dbraw/zinc/74/31/71/372743171.db2.gz VMGPKGCIXKEMDF-MRXNPFEDSA-N 0 3 285.391 3.080 10 10 CGCEHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000171361449 372743177 /nfs/dbraw/zinc/74/31/77/372743177.db2.gz VMGPKGCIXKEMDF-MRXNPFEDSA-N 0 3 285.391 3.080 10 10 CGCEHN C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C[C@H](C)O1 ZINC000296433796 373133506 /nfs/dbraw/zinc/13/35/06/373133506.db2.gz MEZKHUOTROWCGD-QVHKTLOISA-N 0 3 275.392 3.173 10 10 CGCEHN C[C@@H]1CC(C[NH2+][C@H]2CCc3cccc([O-])c32)C[C@@H](C)O1 ZINC000296433788 274283344 /nfs/dbraw/zinc/28/33/44/274283344.db2.gz MEZKHUOTROWCGD-JMSVASOKSA-N 0 3 275.392 3.173 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)c([O-])c1 ZINC000252849443 334397234 /nfs/dbraw/zinc/39/72/34/334397234.db2.gz DWEKVMOTAQJIDA-NWANDNLSSA-N 0 3 263.381 3.045 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000248765422 377398744 /nfs/dbraw/zinc/39/87/44/377398744.db2.gz WWPUIRQYOUODPK-IXKJSCDLSA-N 0 3 287.403 3.309 10 10 CGCEHN C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1[O-] ZINC000020129335 171017522 /nfs/dbraw/zinc/01/75/22/171017522.db2.gz XIRDCARCYJDNQR-WMLDXEAASA-N 0 3 284.403 3.346 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1C[C@@H]2CCCN2C[C@H]1C ZINC000251236999 334358558 /nfs/dbraw/zinc/35/85/58/334358558.db2.gz LJQQYYIKUGDVOA-IJEWVQPXSA-N 0 3 274.408 3.012 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1C[C@@H]2CCCN2C[C@H]1C ZINC000251236999 334358560 /nfs/dbraw/zinc/35/85/60/334358560.db2.gz LJQQYYIKUGDVOA-IJEWVQPXSA-N 0 3 274.408 3.012 10 10 CGCEHN C[C@H]1CCN(c2c(F)cc(CNC3CC3)cc2F)C1 ZINC000062711635 524305428 /nfs/dbraw/zinc/30/54/28/524305428.db2.gz DMHGHULJMNPADB-JTQLQIEISA-N 0 3 266.335 3.063 10 10 CGCEHN COc1cccc(CN[C@H](C)c2ccc(C)o2)c1O ZINC000036960295 526037454 /nfs/dbraw/zinc/03/74/54/526037454.db2.gz LOOXBQWSIMFYOV-LLVKDONJSA-N 0 3 261.321 3.153 10 10 CGCEHN Nc1ccc(N2CCCN=C2c2ccc(F)cc2)cc1 ZINC000011847814 368597574 /nfs/dbraw/zinc/59/75/74/368597574.db2.gz GTSIJFXARTUCDZ-UHFFFAOYSA-N 0 3 269.323 3.065 10 10 CGCEHN Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc(C)c3[O-])C2)c1 ZINC000180140377 373970327 /nfs/dbraw/zinc/97/03/27/373970327.db2.gz LJYOGOMVCXRCGW-MRXNPFEDSA-N 0 3 285.391 3.043 10 10 CGCEHN Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc(C)c3[O-])C2)c1 ZINC000180140377 373970330 /nfs/dbraw/zinc/97/03/30/373970330.db2.gz LJYOGOMVCXRCGW-MRXNPFEDSA-N 0 3 285.391 3.043 10 10 CGCEHN COc1ccc([C@@H](C)[NH2+]Cc2cccs2)c([O-])c1 ZINC000020139635 171026881 /nfs/dbraw/zinc/02/68/81/171026881.db2.gz YPJGNBRKYNEXRN-SNVBAGLBSA-N 0 3 263.362 3.313 10 10 CGCEHN COc1ccc(O)c([C@@H](C)N[C@H](C)c2ccco2)c1 ZINC000035738905 172392863 /nfs/dbraw/zinc/39/28/63/172392863.db2.gz XVIQKXHZXLDTKU-GHMZBOCLSA-N 0 3 261.321 3.406 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251234632 334358495 /nfs/dbraw/zinc/35/84/95/334358495.db2.gz KZEVYPXGCVHLAO-OIISXLGYSA-N 0 3 288.435 3.259 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CC[C@H]2[C@H](CCCN2C)C1 ZINC000251234632 334358496 /nfs/dbraw/zinc/35/84/96/334358496.db2.gz KZEVYPXGCVHLAO-OIISXLGYSA-N 0 3 288.435 3.259 10 10 CGCEHN Cc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2[O-])s1 ZINC000049162050 525734106 /nfs/dbraw/zinc/73/41/06/525734106.db2.gz UQPUAQHUIVWREJ-SNVBAGLBSA-N 0 3 263.362 3.319 10 10 CGCEHN [NH3+][C@@H](c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC000757145388 617802029 /nfs/dbraw/zinc/80/20/29/617802029.db2.gz MAMGKCHKTYVCDO-QGZVFWFLSA-N 0 3 253.345 3.393 10 10 CGCEHN [O-]c1cc(OCc2ccccc2)ccc1[C@@H]1CCC[NH2+]1 ZINC000309637851 346469645 /nfs/dbraw/zinc/46/96/45/346469645.db2.gz PFFSOQCYKXHQPP-INIZCTEOSA-N 0 3 269.344 3.396 10 10 CGCEHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+]C1CCC(O)CC1 ZINC000019918955 170927019 /nfs/dbraw/zinc/92/70/19/170927019.db2.gz YHQLTGDPCBVCKV-GFJIZPEISA-N 0 3 275.392 3.142 10 10 CGCEHN CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1[O-] ZINC000156716876 261129321 /nfs/dbraw/zinc/12/93/21/261129321.db2.gz SMJKEUVCKLFZCI-BPUTZDHNSA-N 0 3 276.424 3.162 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)c([O-])c1 ZINC000248530121 329891309 /nfs/dbraw/zinc/89/13/09/329891309.db2.gz XFNGLDYPSRORKO-JBBXEZCESA-N 0 3 283.371 3.010 10 10 CGCEHN CC[C@H]([NH2+]Cc1ccc(O)cc1[O-])c1cccs1 ZINC000049528834 522649820 /nfs/dbraw/zinc/64/98/20/522649820.db2.gz FVEQPTVBHUXEQR-LBPRGKRZSA-N 0 3 263.362 3.400 10 10 CGCEHN CC[C@H]([NH3+])c1c(C)c(Br)c(C)cc1[O-] ZINC000095707152 640814360 /nfs/dbraw/zinc/81/43/60/640814360.db2.gz ULDGWBVQBJJFLC-QMMMGPOBSA-N 0 3 258.159 3.181 10 10 CGCEHN Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)ccc3[O-])C2)c1 ZINC000123081287 370910393 /nfs/dbraw/zinc/91/03/93/370910393.db2.gz ZKFQXLTUBUDLRV-INIZCTEOSA-N 0 3 285.391 3.043 10 10 CGCEHN Cc1cnn([C@H]2CCC[N@@H+](Cc3cc(C)ccc3[O-])C2)c1 ZINC000123081287 370910398 /nfs/dbraw/zinc/91/03/98/370910398.db2.gz ZKFQXLTUBUDLRV-INIZCTEOSA-N 0 3 285.391 3.043 10 10 CGCEHN COCCN[C@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572060 368808362 /nfs/dbraw/zinc/80/83/62/368808362.db2.gz AISFJHNCMUGIRM-CQSZACIVSA-N 0 3 294.414 3.359 10 10 CGCEHN COc1ccc(O)c(CN[C@@H](C)c2ccc(C)o2)c1 ZINC000036959910 369042567 /nfs/dbraw/zinc/04/25/67/369042567.db2.gz OWTQGYAUWQABKQ-NSHDSACASA-N 0 3 261.321 3.153 10 10 CGCEHN CN(C)C[C@@H](NCc1ccc2c(c1)CCO2)c1ccccc1 ZINC000097395315 370241483 /nfs/dbraw/zinc/24/14/83/370241483.db2.gz GGLDBUFIORAZRG-GOSISDBHSA-N 0 3 296.414 3.014 10 10 CGCEHN C[C@H]1CN(Cc2ccccc2O)C[C@@H](c2ccccc2)O1 ZINC000245578876 376861005 /nfs/dbraw/zinc/86/10/05/376861005.db2.gz ALKRNGKTANWAHN-KSSFIOAISA-N 0 3 283.371 3.354 10 10 CGCEHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000226581992 333265335 /nfs/dbraw/zinc/26/53/35/333265335.db2.gz DEAPDPLJGFUBPV-CQSZACIVSA-N 0 3 273.307 3.145 10 10 CGCEHN COc1cccc(C[N@@H+]2CCCC23CCCC3)c1[O-] ZINC000311742160 262340335 /nfs/dbraw/zinc/34/03/35/262340335.db2.gz BMLAPASPRVTNLX-UHFFFAOYSA-N 0 3 261.365 3.309 10 10 CGCEHN COc1cccc(C[N@H+]2CCCC23CCCC3)c1[O-] ZINC000311742160 262340336 /nfs/dbraw/zinc/34/03/36/262340336.db2.gz BMLAPASPRVTNLX-UHFFFAOYSA-N 0 3 261.365 3.309 10 10 CGCEHN Cc1cnn(CC[NH2+][C@@H](C)c2cc3c(cc2[O-])CCCC3)c1 ZINC000185843430 327847571 /nfs/dbraw/zinc/84/75/71/327847571.db2.gz ATHPHDALLKQZIL-AWEZNQCLSA-N 0 3 299.418 3.127 10 10 CGCEHN CCCN(c1ccc(CNCCOC)cc1)C(C)C ZINC000062735270 521697410 /nfs/dbraw/zinc/69/74/10/521697410.db2.gz VBOARUSPCZBGDB-UHFFFAOYSA-N 0 3 264.413 3.047 10 10 CGCEHN CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617575 640799000 /nfs/dbraw/zinc/79/90/00/640799000.db2.gz YMEOZJAZWSQVIE-JSGCOSHPSA-N 0 3 282.403 3.158 10 10 CGCEHN Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000176080493 373553710 /nfs/dbraw/zinc/55/37/10/373553710.db2.gz SUFIIGROBAYWIT-QGZVFWFLSA-N 0 3 299.418 3.179 10 10 CGCEHN Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000176080493 373553722 /nfs/dbraw/zinc/55/37/22/373553722.db2.gz SUFIIGROBAYWIT-QGZVFWFLSA-N 0 3 299.418 3.179 10 10 CGCEHN Cc1cccc(CN2CCCC[C@@H]2c2cn[nH]c2)c1O ZINC000180262577 329219055 /nfs/dbraw/zinc/21/90/55/329219055.db2.gz YRPOVDVCNBCMTN-OAHLLOKOSA-N 0 3 271.364 3.151 10 10 CGCEHN Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1[O-] ZINC000180262577 329219057 /nfs/dbraw/zinc/21/90/57/329219057.db2.gz YRPOVDVCNBCMTN-OAHLLOKOSA-N 0 3 271.364 3.151 10 10 CGCEHN Cc1cccc(C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)c1[O-] ZINC000180262577 329219058 /nfs/dbraw/zinc/21/90/58/329219058.db2.gz YRPOVDVCNBCMTN-OAHLLOKOSA-N 0 3 271.364 3.151 10 10 CGCEHN CNCc1cc(F)c(N(C)[C@@H](C)C(C)C)c(F)c1 ZINC000062710971 522111299 /nfs/dbraw/zinc/11/12/99/522111299.db2.gz OBBKCFNJEFVZJW-JTQLQIEISA-N 0 3 256.340 3.165 10 10 CGCEHN Cc1ccc(O)c(CN[C@@H]2CCOc3ccccc32)c1 ZINC000071407667 525353437 /nfs/dbraw/zinc/35/34/37/525353437.db2.gz NICMNKLOMJXHDV-OAHLLOKOSA-N 0 3 269.344 3.314 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000248523426 377334864 /nfs/dbraw/zinc/33/48/64/377334864.db2.gz SMRXICIKOSKXSY-YXAMBPQSSA-N 0 3 275.392 3.165 10 10 CGCEHN Cc1cc(O)c(CN2CCCC[C@H]2c2cn[nH]c2)cc1C ZINC000093438122 392236982 /nfs/dbraw/zinc/23/69/82/392236982.db2.gz PLUXSCLLECANSF-INIZCTEOSA-N 0 3 285.391 3.459 10 10 CGCEHN [O-]c1cc(O)ccc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000020209638 171072865 /nfs/dbraw/zinc/07/28/65/171072865.db2.gz NSEPGXXDZCXOPF-UHFFFAOYSA-N 0 3 263.724 3.041 10 10 CGCEHN CC[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccccc1[O-] ZINC000300419745 261200386 /nfs/dbraw/zinc/20/03/86/261200386.db2.gz NFXPBMABKCAQBJ-DZKIICNBSA-N 0 3 261.365 3.000 10 10 CGCEHN COc1ccc(O)c(CN2CCC[C@@H]2c2ccco2)c1 ZINC000180193382 329218173 /nfs/dbraw/zinc/21/81/73/329218173.db2.gz ZNTBZMGFYGJJEQ-CQSZACIVSA-N 0 3 273.332 3.331 10 10 CGCEHN Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1[O-] ZINC000188565341 329369896 /nfs/dbraw/zinc/36/98/96/329369896.db2.gz NYOGYZDORHWYNQ-MCIONIFRSA-N 0 3 281.783 3.011 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c([O-])c1 ZINC000248521722 329891306 /nfs/dbraw/zinc/89/13/06/329891306.db2.gz RQFOJULHAJJZBZ-KSZJFAHPSA-N 0 3 275.392 3.165 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1[O-] ZINC000252886072 334398629 /nfs/dbraw/zinc/39/86/29/334398629.db2.gz YTNFCUKPKASLFJ-SQWLQELKSA-N 0 3 263.381 3.127 10 10 CGCEHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1C ZINC000124413298 370924763 /nfs/dbraw/zinc/92/47/63/370924763.db2.gz HIIGWYCQXPQNCJ-KRWDZBQOSA-N 0 3 298.386 3.057 10 10 CGCEHN Cc1cc([O-])c(C[N@H+]2CC[C@H](Oc3cccnc3)C2)cc1C ZINC000124413298 370924772 /nfs/dbraw/zinc/92/47/72/370924772.db2.gz HIIGWYCQXPQNCJ-KRWDZBQOSA-N 0 3 298.386 3.057 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccccc1[O-] ZINC000251990738 377607905 /nfs/dbraw/zinc/60/79/05/377607905.db2.gz VYSOSTKMIPCECE-CTASWTNQSA-N 0 3 261.365 3.000 10 10 CGCEHN C[C@H]([NH2+]Cc1ccc(O)cc1[O-])c1cccc(F)c1 ZINC000020147819 171035586 /nfs/dbraw/zinc/03/55/86/171035586.db2.gz SZPUWHFKENKMRL-JTQLQIEISA-N 0 3 261.296 3.088 10 10 CGCEHN CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037167214 173001606 /nfs/dbraw/zinc/00/16/06/173001606.db2.gz RPNKYNMWBLGRTC-UONOGXRCSA-N 0 3 264.413 3.019 10 10 CGCEHN Cc1ccc([O-])c(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000071406480 280920158 /nfs/dbraw/zinc/92/01/58/280920158.db2.gz IIGOIILGCBJERX-INIZCTEOSA-N 0 3 253.345 3.478 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000180138110 329218001 /nfs/dbraw/zinc/21/80/01/329218001.db2.gz QUOCWKWVELOCQX-ZDUSSCGKSA-N 0 3 261.296 3.461 10 10 CGCEHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1c1ccco1 ZINC000180138110 329218002 /nfs/dbraw/zinc/21/80/02/329218002.db2.gz QUOCWKWVELOCQX-ZDUSSCGKSA-N 0 3 261.296 3.461 10 10 CGCEHN C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccccc1[O-] ZINC000183591888 329250786 /nfs/dbraw/zinc/25/07/86/329250786.db2.gz BBTZTELSMOCWTB-WFASDCNBSA-N 0 3 296.370 3.169 10 10 CGCEHN N#[N+]C=C([O-])c1cccc2c1C=Cc1cccc3c1N2CC3 ZINC000584603918 534975191 /nfs/dbraw/zinc/97/51/91/534975191.db2.gz WEPZUHZFWIZZRO-UHFFFAOYSA-N 0 3 287.322 3.348 10 10 CGCEHN CC(C)c1cc(Br)cc([C@@H](C)[NH3+])c1[O-] ZINC000757143067 617792801 /nfs/dbraw/zinc/79/28/01/617792801.db2.gz DUYDGHQLSKWGLU-SSDOTTSWSA-N 0 3 258.159 3.298 10 10 CGCEHN Cc1cc([O-])c([C@H]2CCC[NH2+]2)c(C)c1Br ZINC000218402587 346293266 /nfs/dbraw/zinc/29/32/66/346293266.db2.gz XNNIGHIZUSOKJO-SECBINFHSA-N 0 3 270.170 3.196 10 10 CGCEHN Cc1ccc(C2=NCCCN2c2ccc(N)cc2)cc1 ZINC000011847813 368597357 /nfs/dbraw/zinc/59/73/57/368597357.db2.gz WTIPEKUTQBVFIE-UHFFFAOYSA-N 0 3 265.360 3.234 10 10 CGCEHN Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)c([O-])c1 ZINC000248530122 377336708 /nfs/dbraw/zinc/33/67/08/377336708.db2.gz XFNGLDYPSRORKO-RZAIGCCYSA-N 0 3 283.371 3.010 10 10 CGCEHN COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c([O-])c1 ZINC000020121829 171000871 /nfs/dbraw/zinc/00/08/71/171000871.db2.gz FCHJPZPRPVLEAW-NWDGAFQWSA-N 0 3 272.348 3.208 10 10 CGCEHN Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179572646 329209870 /nfs/dbraw/zinc/20/98/70/329209870.db2.gz DUEHNJKHUANLLR-HNNXBMFYSA-N 0 3 285.391 3.080 10 10 CGCEHN Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179572646 329209872 /nfs/dbraw/zinc/20/98/72/329209872.db2.gz DUEHNJKHUANLLR-HNNXBMFYSA-N 0 3 285.391 3.080 10 10 CGCEHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000179950020 329213835 /nfs/dbraw/zinc/21/38/35/329213835.db2.gz QEEUIXIFKCKMFN-INIZCTEOSA-N 0 3 298.386 3.087 10 10 CGCEHN COc1ccc([O-])c(C[N@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000179950020 329213837 /nfs/dbraw/zinc/21/38/37/329213837.db2.gz QEEUIXIFKCKMFN-INIZCTEOSA-N 0 3 298.386 3.087 10 10 CGCEHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000248515868 329891044 /nfs/dbraw/zinc/89/10/44/329891044.db2.gz OKBXLWVURVHYTP-ULFGMLNVSA-N 0 3 283.371 3.010 10 10 CGCEHN COCCN[C@@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572059 368808988 /nfs/dbraw/zinc/80/89/88/368808988.db2.gz AISFJHNCMUGIRM-AWEZNQCLSA-N 0 3 294.414 3.359 10 10 CGCEHN CCN(CC)c1ccc(CNCCOc2ccccn2)cc1 ZINC000057353338 369535736 /nfs/dbraw/zinc/53/57/36/369535736.db2.gz WKEZJRAPOVGYMM-UHFFFAOYSA-N 0 3 299.418 3.096 10 10 CGCEHN CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1[O-] ZINC000248548190 377345590 /nfs/dbraw/zinc/34/55/90/377345590.db2.gz GPLNKSZDIANEAR-YALNPMBYSA-N 0 3 287.403 3.391 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000251178488 334357800 /nfs/dbraw/zinc/35/78/00/334357800.db2.gz CTFDEKMHKQMAGD-FMKPAKJESA-N 0 3 261.365 3.097 10 10 CGCEHN CC[C@H](c1ccccc1[O-])[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000251178488 334357802 /nfs/dbraw/zinc/35/78/02/334357802.db2.gz CTFDEKMHKQMAGD-FMKPAKJESA-N 0 3 261.365 3.097 10 10 CGCEHN Cc1ccc(Br)c([C@H]2CCCC[NH2+]2)c1[O-] ZINC000218408509 346293356 /nfs/dbraw/zinc/29/33/56/346293356.db2.gz WDNVNUCQWDCAPN-SNVBAGLBSA-N 0 3 270.170 3.278 10 10 CGCEHN CC(=O)Nc1ccc([O-])c(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000584591155 346685928 /nfs/dbraw/zinc/68/59/28/346685928.db2.gz LKISZTUQFXGDDI-GFCCVEGCSA-N 0 3 284.359 3.201 10 10 CGCEHN Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000176080513 373553820 /nfs/dbraw/zinc/55/38/20/373553820.db2.gz SUFIIGROBAYWIT-KRWDZBQOSA-N 0 3 299.418 3.179 10 10 CGCEHN Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000176080513 373553827 /nfs/dbraw/zinc/55/38/27/373553827.db2.gz SUFIIGROBAYWIT-KRWDZBQOSA-N 0 3 299.418 3.179 10 10 CGCEHN CC1CCC(CC[NH2+]Cc2ccc(O)cc2[O-])CC1 ZINC000070538433 541893973 /nfs/dbraw/zinc/89/39/73/541893973.db2.gz WMPHJFURZQQWGN-UHFFFAOYSA-N 0 3 263.381 3.404 10 10 CGCEHN CC1CCC(CC[NH2+]Cc2cccc(O)c2[O-])CC1 ZINC000070538567 541894423 /nfs/dbraw/zinc/89/44/23/541894423.db2.gz PHCVDHPJXWUHFI-UHFFFAOYSA-N 0 3 263.381 3.404 10 10 CGCEHN COc1ccc([O-])c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246017021 376952587 /nfs/dbraw/zinc/95/25/87/376952587.db2.gz ZRTSSQOKSFZBOJ-GDBMZVCRSA-N 0 3 293.432 3.261 10 10 CGCEHN COc1ccc([O-])c(C[N@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246017021 376952591 /nfs/dbraw/zinc/95/25/91/376952591.db2.gz ZRTSSQOKSFZBOJ-GDBMZVCRSA-N 0 3 293.432 3.261 10 10 CGCEHN Cc1ccc([C@H](C)NCc2ccc(O)c(O)c2)s1 ZINC000049157868 525928951 /nfs/dbraw/zinc/92/89/51/525928951.db2.gz BWJVVEOSNNJSPW-JTQLQIEISA-N 0 3 263.362 3.319 10 10 CGCEHN Cc1nc(C)c([C@@H](C)NCc2ccc(N)cc2)s1 ZINC000049538733 526745746 /nfs/dbraw/zinc/74/57/46/526745746.db2.gz WLFMCBLWWARECE-SECBINFHSA-N 0 3 261.394 3.193 10 10 CGCEHN CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183627452 625098755 /nfs/dbraw/zinc/09/87/55/625098755.db2.gz GMOVBCWLMHQRPI-LSDHHAIUSA-N 0 3 276.424 3.163 10 10 CGCEHN Cc1cc(Br)cc([C@@H]([NH3+])C(C)C)c1[O-] ZINC000095706880 640814402 /nfs/dbraw/zinc/81/44/02/640814402.db2.gz PGHGJFPYRJFWGG-JTQLQIEISA-N 0 3 258.159 3.119 10 10 CGCEHN