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)c1O ZINC000584611710 346692561 /nfs/dbraw/zinc/69/25/61/346692561.db2.gz OQWSYQVYQZGEJC-UHFFFAOYSA-N 1 0 270.376 3.483 10 10 CGCERO CCOc1cccc(C[NH2+][C@H](CC)C(C)C)c1O ZINC000042584859 369225981 /nfs/dbraw/zinc/22/59/81/369225981.db2.gz XZDPQTAZVCEMOG-CYBMUJFWSA-N 1 0 251.370 3.315 10 10 CGCERO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H](c2ccccc2)O1 ZINC000245578874 376861123 /nfs/dbraw/zinc/86/11/23/376861123.db2.gz ALKRNGKTANWAHN-KDOFPFPSSA-N 1 0 283.371 3.354 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cc(F)ccc1O ZINC000248879358 377418349 /nfs/dbraw/zinc/41/83/49/377418349.db2.gz RLHBVWFKHSDTMO-OWRWGESLSA-N 1 0 279.355 3.140 10 10 CGCERO Cc1ccccc1C[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000011571019 170422225 /nfs/dbraw/zinc/42/22/25/170422225.db2.gz OGXWQPXMUMPOPX-KRWDZBQOSA-N 1 0 254.377 3.304 10 10 CGCERO Cc1ccc(C[N@H+](C)CCc2ccc(N)cc2)cc1 ZINC000020264692 171122147 /nfs/dbraw/zinc/12/21/47/171122147.db2.gz VKDOAYSZTMGZGN-UHFFFAOYSA-N 1 0 254.377 3.252 10 10 CGCERO C[NH2+][C@@H](C)c1ccc(N(CC(F)(F)F)C2CC2)cc1 ZINC000042769530 174870755 /nfs/dbraw/zinc/87/07/55/174870755.db2.gz LJYSUJNTPDQNFV-JTQLQIEISA-N 1 0 272.314 3.498 10 10 CGCERO Cc1cccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1O ZINC000179949934 329213721 /nfs/dbraw/zinc/21/37/21/329213721.db2.gz IUVVDDCEMQSLBT-QGZVFWFLSA-N 1 0 282.387 3.387 10 10 CGCERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1cccn1)c1ccccc1O ZINC000183540835 329248280 /nfs/dbraw/zinc/24/82/80/329248280.db2.gz HLZPOMGJZWOGPV-BPUTZDHNSA-N 1 0 285.391 3.423 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(N(C)C)cc1 ZINC000247041072 329875200 /nfs/dbraw/zinc/87/52/00/329875200.db2.gz LTRNEOTWDMDEAY-VIBAHUMZSA-N 1 0 288.435 3.361 10 10 CGCERO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccccc1O ZINC000248573211 329898392 /nfs/dbraw/zinc/89/83/92/329898392.db2.gz RYNOKULOAIBPEQ-CLWVCHIJSA-N 1 0 275.392 3.246 10 10 CGCERO C[C@H]1CN(c2ccc(C[NH2+]C(C)(C)C)cc2)C[C@H](C)O1 ZINC000062734297 524669593 /nfs/dbraw/zinc/66/95/93/524669593.db2.gz ILWVEFSFDPUCFP-KBPBESRZSA-N 1 0 276.424 3.188 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccccc2F)cc1 ZINC000048873947 525026297 /nfs/dbraw/zinc/02/62/97/525026297.db2.gz BXHTYOITTGRONZ-GFCCVEGCSA-N 1 0 258.340 3.482 10 10 CGCERO Nc1ccc(OCCC[NH+]2Cc3ccccc3C2)cc1 ZINC000050909936 527496365 /nfs/dbraw/zinc/49/63/65/527496365.db2.gz XZPSBYGTSQSCGF-UHFFFAOYSA-N 1 0 268.360 3.054 10 10 CGCERO C[C@@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000171606487 623178917 /nfs/dbraw/zinc/17/89/17/623178917.db2.gz LZNIHTCULZKWKX-LLVKDONJSA-N 1 0 295.448 3.333 10 10 CGCERO [NH3+][C@H](c1ccccc1)c1cc(Cl)c(F)cc1[O-] ZINC000757132316 630586408 /nfs/dbraw/zinc/58/64/08/630586408.db2.gz FDAFOBFIRCNBOB-CYBMUJFWSA-N 1 0 251.688 3.233 10 10 CGCERO Cc1cc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)cc1C(C)C ZINC000247213423 640713397 /nfs/dbraw/zinc/71/33/97/640713397.db2.gz XAZUHGSBUWZPNE-INIZCTEOSA-N 1 0 288.435 3.104 10 10 CGCERO CCC[NH+](CCC)C[C@H]1CCc2cc(O)c(O)cc21 ZINC000029207469 368892954 /nfs/dbraw/zinc/89/29/54/368892954.db2.gz ZYSHQGSOYBDFDU-CYBMUJFWSA-N 1 0 263.381 3.250 10 10 CGCERO CSc1cccc(C[N@H+](C)Cc2ccc(O)c(O)c2)c1 ZINC000067695716 369726309 /nfs/dbraw/zinc/72/63/09/369726309.db2.gz WZDUBWGSYPPUGR-UHFFFAOYSA-N 1 0 289.400 3.452 10 10 CGCERO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000092758221 370099823 /nfs/dbraw/zinc/09/98/23/370099823.db2.gz AJMISSUMDFZOJX-QGZVFWFLSA-N 1 0 282.387 3.387 10 10 CGCERO Cc1cc(O)c(C[N@H+]2CCC[C@H]2c2cnn(C)c2)cc1C ZINC000171361455 372743212 /nfs/dbraw/zinc/74/32/12/372743212.db2.gz VMGPKGCIXKEMDF-INIZCTEOSA-N 1 0 285.391 3.080 10 10 CGCERO COc1cccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1O ZINC000245768355 376904985 /nfs/dbraw/zinc/90/49/85/376904985.db2.gz RGJKEMJLBZWVGY-UKRRQHHQSA-N 1 0 293.432 3.261 10 10 CGCERO CCCO[C@@H]1CCCN(c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000042422832 134890134 /nfs/dbraw/zinc/89/01/34/134890134.db2.gz BHEUZIOMLGSWTB-CZUORRHYSA-N 1 0 262.397 3.102 10 10 CGCERO C[C@H]1CCC[C@H](C)[NH+]1CCCC(=O)Nc1ccc(N)cc1 ZINC000022219834 171377251 /nfs/dbraw/zinc/37/72/51/171377251.db2.gz QXZOLEYFGNJCAZ-KBPBESRZSA-N 1 0 289.423 3.250 10 10 CGCERO C[NH2+][C@@H](C)c1ccc(N(C)[C@@H](C)C2CC2)c(F)c1 ZINC000036785560 172702631 /nfs/dbraw/zinc/70/26/31/172702631.db2.gz UQRZQQHLEJAKCM-QWRGUYRKSA-N 1 0 250.361 3.341 10 10 CGCERO Cc1ncsc1[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037233649 173052301 /nfs/dbraw/zinc/05/23/01/173052301.db2.gz LMOMBFXLXIGVLY-NSHDSACASA-N 1 0 275.421 3.368 10 10 CGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038044173 174051328 /nfs/dbraw/zinc/05/13/28/174051328.db2.gz INSUKWMSFMMYCH-IHRRRGAJSA-N 1 0 275.392 3.265 10 10 CGCERO COc1ccc([C@@H](C)[NH2+]CCCC(C)C)c(O)c1 ZINC000038093537 174107630 /nfs/dbraw/zinc/10/76/30/174107630.db2.gz SUVRALDMNBACRS-GFCCVEGCSA-N 1 0 251.370 3.488 10 10 CGCERO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(O)cc1O ZINC000042599064 174815968 /nfs/dbraw/zinc/81/59/68/174815968.db2.gz ASKBVPGDMOTFKP-SNVBAGLBSA-N 1 0 263.362 3.053 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCCOC(C)(C)C1 ZINC000312064337 262347397 /nfs/dbraw/zinc/34/73/97/262347397.db2.gz DWJNUGCZCOGYQD-CQSZACIVSA-N 1 0 263.381 3.344 10 10 CGCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000178355431 329199137 /nfs/dbraw/zinc/19/91/37/329199137.db2.gz YVEKEFPBGSHTCU-AGRHKRQWSA-N 1 0 296.414 3.062 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1cccn1)c1ccccc1O ZINC000183540803 329248331 /nfs/dbraw/zinc/24/83/31/329248331.db2.gz HLZPOMGJZWOGPV-IMJJTQAJSA-N 1 0 285.391 3.423 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c(O)c1 ZINC000248521721 329891311 /nfs/dbraw/zinc/89/13/11/329891311.db2.gz RQFOJULHAJJZBZ-DDUYRFODSA-N 1 0 275.392 3.165 10 10 CGCERO C[NH2+][C@H](C)c1ccc(N2CCCO[C@H](C)C2)c(Cl)c1 ZINC000061919133 522448231 /nfs/dbraw/zinc/44/82/31/522448231.db2.gz LZNUGJNTRNEGFJ-VXGBXAGGSA-N 1 0 282.815 3.236 10 10 CGCERO CC(C)N(CC(F)(F)F)c1c(F)cc(C[NH3+])cc1F ZINC000062718530 519638820 /nfs/dbraw/zinc/63/88/20/519638820.db2.gz RCTXPJRSWFOHMN-UHFFFAOYSA-N 1 0 282.256 3.201 10 10 CGCERO Cc1c(C)c(Br)c(C)c([C@H]([NH3+])C2CC2)c1O ZINC000757143609 617793538 /nfs/dbraw/zinc/79/35/38/617793538.db2.gz DYOSCRPCQHUMOY-GFCCVEGCSA-N 1 0 284.197 3.490 10 10 CGCERO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(Cl)ccc1O ZINC000211722789 636176065 /nfs/dbraw/zinc/17/60/65/636176065.db2.gz NJOSWIMXSOIGLE-SWLSCSKDSA-N 1 0 294.826 3.104 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCN(CC)C2)cc1 ZINC000133009707 636863527 /nfs/dbraw/zinc/86/35/27/636863527.db2.gz VQMMGSXTDKEFFD-DOTOQJQBSA-N 1 0 289.467 3.278 10 10 CGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CCCN(CC)C2)cc1 ZINC000247189210 640712066 /nfs/dbraw/zinc/71/20/66/640712066.db2.gz VQMMGSXTDKEFFD-WBVHZDCISA-N 1 0 289.467 3.278 10 10 CGCERO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(CC)C2)cc1 ZINC000247189196 640712229 /nfs/dbraw/zinc/71/22/29/640712229.db2.gz VQMMGSXTDKEFFD-NVXWUHKLSA-N 1 0 289.467 3.278 10 10 CGCERO Cc1ncsc1CN(C)c1ccc([C@@H](C)[NH3+])cc1 ZINC000104442011 186003345 /nfs/dbraw/zinc/00/33/45/186003345.db2.gz ALEBTXZJEBIHEO-SNVBAGLBSA-N 1 0 261.394 3.108 10 10 CGCERO CCC[NH+](CCC)[C@H]1CCCc2c(O)c(O)ccc2C1 ZINC000216073550 376156390 /nfs/dbraw/zinc/15/63/90/376156390.db2.gz HPDUVYIULMPHPC-AWEZNQCLSA-N 1 0 277.408 3.467 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c(O)c1 ZINC000248780899 377399779 /nfs/dbraw/zinc/39/97/79/377399779.db2.gz HYPURFQDIAWEFZ-RVSPLBMKSA-N 1 0 275.392 3.309 10 10 CGCERO Oc1ccc(C[NH2+]CCc2ccc(Cl)cc2)c(O)c1 ZINC000020122550 171002831 /nfs/dbraw/zinc/00/28/31/171002831.db2.gz SYGREDBAQTWTEV-UHFFFAOYSA-N 1 0 277.751 3.084 10 10 CGCERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1O ZINC000020129333 171016854 /nfs/dbraw/zinc/01/68/54/171016854.db2.gz XIRDCARCYJDNQR-YOEHRIQHSA-N 1 0 284.403 3.346 10 10 CGCERO COc1cccc(C[NH2+][C@H](C)c2cccs2)c1O ZINC000020148293 171036382 /nfs/dbraw/zinc/03/63/82/171036382.db2.gz VKVURQHJJMAKFW-SNVBAGLBSA-N 1 0 263.362 3.313 10 10 CGCERO C[NH2+][C@H](C)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020550981 171247035 /nfs/dbraw/zinc/24/70/35/171247035.db2.gz LLNSFSFNZAHKHV-GFCCVEGCSA-N 1 0 250.361 3.487 10 10 CGCERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccco2)c(O)c1 ZINC000035738603 172391974 /nfs/dbraw/zinc/39/19/74/172391974.db2.gz BOUKBOYWZAJJLK-WDEREUQCSA-N 1 0 261.321 3.406 10 10 CGCERO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccco1 ZINC000035738892 172392458 /nfs/dbraw/zinc/39/24/58/172392458.db2.gz PLOIPFJMMOGXOP-VIFPVBQESA-N 1 0 251.713 3.489 10 10 CGCERO COCc1cccc(C[NH2+][C@H](C)c2ccc(O)cc2O)c1 ZINC000038010562 173977113 /nfs/dbraw/zinc/97/71/13/173977113.db2.gz NJABXDVPYFYBKA-GFCCVEGCSA-N 1 0 287.359 3.095 10 10 CGCERO Cc1c(C)c(Br)c(C)c([C@@H]([NH3+])C2CC2)c1O ZINC000757143616 617793827 /nfs/dbraw/zinc/79/38/27/617793827.db2.gz DYOSCRPCQHUMOY-LBPRGKRZSA-N 1 0 284.197 3.490 10 10 CGCERO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)c1 ZINC000164141161 622817346 /nfs/dbraw/zinc/81/73/46/622817346.db2.gz PSQPTJVYUZQVJY-JKSUJKDBSA-N 1 0 275.392 3.152 10 10 CGCERO CCOCCN(CC)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000104203977 185930029 /nfs/dbraw/zinc/93/00/29/185930029.db2.gz VQKIISOIWKXCDP-NSHDSACASA-N 1 0 270.804 3.223 10 10 CGCERO C[C@@H]1CC(C[NH2+][C@@H]2CCc3cccc(O)c32)C[C@@H](C)O1 ZINC000296433793 373132811 /nfs/dbraw/zinc/13/28/11/373132811.db2.gz MEZKHUOTROWCGD-LALPHHSUSA-N 1 0 275.392 3.173 10 10 CGCERO CC[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1O ZINC000248541619 377340542 /nfs/dbraw/zinc/34/05/42/377340542.db2.gz BZQDUGISPBIISC-JLJPHGGASA-N 1 0 275.392 3.391 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)c1 ZINC000248491091 377330822 /nfs/dbraw/zinc/33/08/22/377330822.db2.gz INYOIWVPNVTLCK-JBBXEZCESA-N 1 0 283.371 3.010 10 10 CGCERO CCOc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2CC)cc1 ZINC000083549735 135029488 /nfs/dbraw/zinc/02/94/88/135029488.db2.gz WCAWTMOABUQEGB-WMLDXEAASA-N 1 0 276.424 3.298 10 10 CGCERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccncc1 ZINC000020121379 171000063 /nfs/dbraw/zinc/00/00/63/171000063.db2.gz WDBAASIVQJJFLE-SNVBAGLBSA-N 1 0 262.740 3.291 10 10 CGCERO CN(C)c1ccc(C[NH2+]Cc2ccc(N(C)C)cc2)cc1 ZINC000020145994 171031805 /nfs/dbraw/zinc/03/18/05/171031805.db2.gz DSGUHCAJVNAUGY-UHFFFAOYSA-N 1 0 283.419 3.108 10 10 CGCERO Cc1cc(C)c(O)c2c1C[C@H](c1ccccc1)[C@H]2[NH3+] ZINC000026155628 171473596 /nfs/dbraw/zinc/47/35/96/171473596.db2.gz JHVNHBFPJSLMTF-GDBMZVCRSA-N 1 0 253.345 3.349 10 10 CGCERO CCN(CC(F)(F)F)c1ccc([C@@H](C)[NH3+])cc1F ZINC000042768787 174869991 /nfs/dbraw/zinc/86/99/91/174869991.db2.gz QCKSAKZZTXYFJU-MRVPVSSYSA-N 1 0 264.266 3.234 10 10 CGCERO CCN(CC(F)(F)F)c1ccc([C@H](C)[NH2+]C)cc1 ZINC000042768869 174869992 /nfs/dbraw/zinc/86/99/92/174869992.db2.gz DNZIXKVMBBHXJJ-JTQLQIEISA-N 1 0 260.303 3.356 10 10 CGCERO CS[C@H](C)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000128060864 264275967 /nfs/dbraw/zinc/27/59/67/264275967.db2.gz BDCABUGGTYAJHN-LLVKDONJSA-N 1 0 261.390 3.387 10 10 CGCERO Oc1ccccc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000179566677 329209880 /nfs/dbraw/zinc/20/98/80/329209880.db2.gz ZLPYPNNZEGDKNY-INIZCTEOSA-N 1 0 268.360 3.079 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1O ZINC000248873570 329901136 /nfs/dbraw/zinc/90/11/36/329901136.db2.gz LGJRFLPQKIYTMV-MPTYRVRUSA-N 1 0 275.392 3.391 10 10 CGCERO CN(C)c1ccc([C@H](C[NH3+])Nc2cccc(F)c2)cc1 ZINC000057569427 522247834 /nfs/dbraw/zinc/24/78/34/522247834.db2.gz ISPGKLGSDFKQLZ-INIZCTEOSA-N 1 0 273.355 3.004 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2cscn2)c(Cl)c1 ZINC000061697960 525027494 /nfs/dbraw/zinc/02/74/94/525027494.db2.gz AVOAGLIENBBBLG-SECBINFHSA-N 1 0 281.812 3.453 10 10 CGCERO Oc1cccc(C[NH2+][C@H]2CCCc3sccc32)c1O ZINC000061360305 526360903 /nfs/dbraw/zinc/36/09/03/526360903.db2.gz ANQSXUWUYWVCDG-LBPRGKRZSA-N 1 0 275.373 3.327 10 10 CGCERO CCC1CCC([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000042880456 621886297 /nfs/dbraw/zinc/88/62/97/621886297.db2.gz STCASBOBNCBQCV-UHFFFAOYSA-N 1 0 277.364 3.179 10 10 CGCERO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc(N(C)C)cc1 ZINC000133033109 636864129 /nfs/dbraw/zinc/86/41/29/636864129.db2.gz KWKVOBRXYNXZJN-FUHWJXTLSA-N 1 0 289.467 3.278 10 10 CGCERO CN(C)c1ccc([C@@H]([NH3+])C(C)(C)C(=O)OC(C)(C)C)cc1 ZINC000536959837 346650383 /nfs/dbraw/zinc/65/03/83/346650383.db2.gz VORYKLRZWXZDNO-CQSZACIVSA-N 1 0 292.423 3.120 10 10 CGCERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O ZINC000281593160 379838907 /nfs/dbraw/zinc/83/89/07/379838907.db2.gz LSZZUSWZOCTJRK-IJLUTSLNSA-N 1 0 281.371 3.386 10 10 CGCERO COc1ccc([C@H](C)[NH2+][C@H](C)c2cccnc2)c(O)c1 ZINC000020128038 171014557 /nfs/dbraw/zinc/01/45/57/171014557.db2.gz RTYWBIOSPWUUOV-NEPJUHHUSA-N 1 0 272.348 3.208 10 10 CGCERO C[N@H+](CCCOc1ccc(N)cc1)C1CCCCC1 ZINC000036985733 172851719 /nfs/dbraw/zinc/85/17/19/172851719.db2.gz HXEBGGNFOQNRTD-UHFFFAOYSA-N 1 0 262.397 3.302 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000248483722 329894619 /nfs/dbraw/zinc/89/46/19/329894619.db2.gz CXGHDKAFHVDVLV-QDFMMOOJSA-N 1 0 291.391 3.009 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccccc1O ZINC000248873569 329901228 /nfs/dbraw/zinc/90/12/28/329901228.db2.gz LGJRFLPQKIYTMV-LJIGWXMPSA-N 1 0 275.392 3.391 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN2CCC[C@H]2C1 ZINC000251301353 334359489 /nfs/dbraw/zinc/35/94/89/334359489.db2.gz TWOPCOLIONUUOK-HOCLYGCPSA-N 1 0 274.408 3.013 10 10 CGCERO CCCC[C@@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000050886969 521008198 /nfs/dbraw/zinc/00/81/98/521008198.db2.gz XTQDJGSVOUEZJR-GFCCVEGCSA-N 1 0 251.370 3.459 10 10 CGCERO CCC[NH2+]Cc1ccc(N2CCCSCC2)cc1C ZINC000050583237 519949837 /nfs/dbraw/zinc/94/98/37/519949837.db2.gz IKHFABCGAKEYAE-UHFFFAOYSA-N 1 0 278.465 3.438 10 10 CGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCN(CC)C2)cc1 ZINC000058335113 622922532 /nfs/dbraw/zinc/92/25/32/622922532.db2.gz XPIYEVGPRYTHQA-QGZVFWFLSA-N 1 0 289.467 3.107 10 10 CGCERO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2ccccc21 ZINC000226583507 622984082 /nfs/dbraw/zinc/98/40/82/622984082.db2.gz HBPBZNVIKBRCCX-HNNXBMFYSA-N 1 0 257.308 3.308 10 10 CGCERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)c1ccc(N(C)C)cc1 ZINC000133032901 636864506 /nfs/dbraw/zinc/86/45/06/636864506.db2.gz KWKVOBRXYNXZJN-WMZOPIPTSA-N 1 0 289.467 3.278 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000248012217 640739579 /nfs/dbraw/zinc/73/95/79/640739579.db2.gz LIXBWYJEFNVIOG-YXJHDRRASA-N 1 0 290.451 3.344 10 10 CGCERO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H](c2ccccc2)CO1 ZINC000245617423 376869777 /nfs/dbraw/zinc/86/97/77/376869777.db2.gz PZCFKLNHUCEBPL-RHSMWYFYSA-N 1 0 283.371 3.354 10 10 CGCERO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000251782701 377598272 /nfs/dbraw/zinc/59/82/72/377598272.db2.gz LMGRRZVKOAQBRN-XDNAFOTISA-N 1 0 288.435 3.361 10 10 CGCERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000122934349 392425356 /nfs/dbraw/zinc/42/53/56/392425356.db2.gz RFYUYOQTBUDJQB-INIZCTEOSA-N 1 0 299.418 3.297 10 10 CGCERO CCOc1ccc(N2C[C@@H](CC)[NH2+]C[C@H]2C(C)C)cc1 ZINC000083549925 135029668 /nfs/dbraw/zinc/02/96/68/135029668.db2.gz BKSVZTNRFAXELT-PBHICJAKSA-N 1 0 276.424 3.298 10 10 CGCERO C[N@H+](CCCc1ccc(N)cc1)Cc1ccccc1 ZINC000020192361 171058274 /nfs/dbraw/zinc/05/82/74/171058274.db2.gz NMJLOMDJBNSYKH-UHFFFAOYSA-N 1 0 254.377 3.333 10 10 CGCERO C=COCCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020197180 171061248 /nfs/dbraw/zinc/06/12/48/171061248.db2.gz ATQFVYQBKFLWAM-UHFFFAOYSA-N 1 0 257.333 3.185 10 10 CGCERO CCN(CC)c1ccc([C@@H](C[NH3+])N2CCC(C)CC2)cc1 ZINC000039789124 174173281 /nfs/dbraw/zinc/17/32/81/174173281.db2.gz ZSMUUHANHAWGDJ-GOSISDBHSA-N 1 0 289.467 3.265 10 10 CGCERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000159033635 261176408 /nfs/dbraw/zinc/17/64/08/261176408.db2.gz FPAMOXGYGAWUPI-KGLIPLIRSA-N 1 0 294.414 3.357 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)c(O)c1 ZINC000186101714 262080134 /nfs/dbraw/zinc/08/01/34/262080134.db2.gz PMMVVOOCVZTRHT-OFQRWUPVSA-N 1 0 276.424 3.080 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCOCC12CCCC2 ZINC000377542342 288167490 /nfs/dbraw/zinc/16/74/90/288167490.db2.gz NYEHSNXOSWOVOV-OAHLLOKOSA-N 1 0 275.392 3.488 10 10 CGCERO C[C@@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccccc1O ZINC000183591904 329250710 /nfs/dbraw/zinc/25/07/10/329250710.db2.gz BBTZTELSMOCWTB-DOMZBBRYSA-N 1 0 296.370 3.169 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000252060937 329937785 /nfs/dbraw/zinc/93/77/85/329937785.db2.gz ZVWIHWIPPJKDIP-VIBAHUMZSA-N 1 0 288.435 3.361 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H]2CCCN2C[C@H]1C ZINC000251236995 334358582 /nfs/dbraw/zinc/35/85/82/334358582.db2.gz LJQQYYIKUGDVOA-IIAWOOMASA-N 1 0 274.408 3.012 10 10 CGCERO CCC[NH2+]Cc1cc(F)c(N(C)C2CC2)c(F)c1 ZINC000062710146 519948769 /nfs/dbraw/zinc/94/87/69/519948769.db2.gz NTBIYHVNDZUHRP-UHFFFAOYSA-N 1 0 254.324 3.063 10 10 CGCERO CCCOc1ccc(N2CC[C@@H](C[NH2+]C(C)C)C2)cc1 ZINC000053035092 520386183 /nfs/dbraw/zinc/38/61/83/520386183.db2.gz GNGCDYPGYJHAAT-HNNXBMFYSA-N 1 0 276.424 3.300 10 10 CGCERO CCOc1ccc(N2CC[C@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053010454 521042514 /nfs/dbraw/zinc/04/25/14/521042514.db2.gz ZTGLMJTUPJRQMC-OAHLLOKOSA-N 1 0 276.424 3.157 10 10 CGCERO C[NH2+][C@H](C)c1ccc(N2CCSCC2)c(Cl)c1 ZINC000061694572 522449890 /nfs/dbraw/zinc/44/98/90/522449890.db2.gz XOJKAZUMUBEUBK-SNVBAGLBSA-N 1 0 270.829 3.174 10 10 CGCERO CN(Cc1ccoc1)c1ccc(C[NH3+])cc1Cl ZINC000062792996 523475544 /nfs/dbraw/zinc/47/55/44/523475544.db2.gz IAGTWXBAIZKDPU-UHFFFAOYSA-N 1 0 250.729 3.028 10 10 CGCERO C[C@H]([NH3+])c1ccc(N2CCO[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000061697991 524865167 /nfs/dbraw/zinc/86/51/67/524865167.db2.gz AILHMCCEUYWLPF-LKTVYLICSA-N 1 0 280.799 3.117 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@H](C)[C@H]2C)c(F)c1 ZINC000050565215 525026988 /nfs/dbraw/zinc/02/69/88/525026988.db2.gz DQIXIYZDORQGPN-QJPTWQEYSA-N 1 0 250.361 3.470 10 10 CGCERO Cc1cc(N(CC(F)(F)F)C(C)C)ccc1C[NH3+] ZINC000050584634 525032004 /nfs/dbraw/zinc/03/20/04/525032004.db2.gz NARNQTUBQSXFCY-UHFFFAOYSA-N 1 0 260.303 3.231 10 10 CGCERO C[C@H](O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000077209264 618151579 /nfs/dbraw/zinc/15/15/79/618151579.db2.gz NRVPSMKDIBKNCV-ZDUSSCGKSA-N 1 0 285.387 3.138 10 10 CGCERO Cc1cc(O)c([C@@H]([NH3+])C2CC2)c(C)c1Br ZINC000095712121 619286499 /nfs/dbraw/zinc/28/64/99/619286499.db2.gz UYYRRSUYCXRZOX-LBPRGKRZSA-N 1 0 270.170 3.181 10 10 CGCERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)c1 ZINC000123081484 370910246 /nfs/dbraw/zinc/91/02/46/370910246.db2.gz ZKFQXLTUBUDLRV-MRXNPFEDSA-N 1 0 285.391 3.043 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H]2CCCN2C[C@@H]1C ZINC000211594217 260026772 /nfs/dbraw/zinc/02/67/72/260026772.db2.gz LJQQYYIKUGDVOA-OFQRWUPVSA-N 1 0 274.408 3.012 10 10 CGCERO CCOc1ccc(N2C[C@@H](CC)[NH2+]C[C@@H]2CC)cc1 ZINC000083457243 135023019 /nfs/dbraw/zinc/02/30/19/135023019.db2.gz UGPAQYXOILDLBR-KGLIPLIRSA-N 1 0 262.397 3.052 10 10 CGCERO CCN(Cc1ccccc1)c1ccc(C[NH2+]C)cc1 ZINC000019777776 170861319 /nfs/dbraw/zinc/86/13/19/170861319.db2.gz KSFZFMRXYPNMHF-UHFFFAOYSA-N 1 0 254.377 3.433 10 10 CGCERO COc1ccc(O)c(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000020148658 171036997 /nfs/dbraw/zinc/03/69/97/171036997.db2.gz QJZAZVCKTRWBGA-JTQLQIEISA-N 1 0 263.362 3.313 10 10 CGCERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccco2)c(O)c1 ZINC000035738605 172391266 /nfs/dbraw/zinc/39/12/66/172391266.db2.gz BOUKBOYWZAJJLK-GHMZBOCLSA-N 1 0 261.321 3.406 10 10 CGCERO CC(C)[C@@H](C)[N@H+](C)CCCOc1ccc(N)cc1 ZINC000036786431 172704295 /nfs/dbraw/zinc/70/42/95/172704295.db2.gz HWYQIVGGPHLXHK-CYBMUJFWSA-N 1 0 250.386 3.014 10 10 CGCERO C[NH+]1CCC(Nc2ccccc2C(=O)c2ccccc2)CC1 ZINC000039612948 174170695 /nfs/dbraw/zinc/17/06/95/174170695.db2.gz HUPVUUCJOYMIKU-UHFFFAOYSA-N 1 0 294.398 3.424 10 10 CGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+]Cc1ccnc(C)n1 ZINC000038037454 280920819 /nfs/dbraw/zinc/92/08/19/280920819.db2.gz HPSHJQALPIUYQV-FZMZJTMJSA-N 1 0 283.375 3.137 10 10 CGCERO Cc1cnn(CC[NH2+][C@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185843446 327847460 /nfs/dbraw/zinc/84/74/60/327847460.db2.gz ATHPHDALLKQZIL-CQSZACIVSA-N 1 0 299.418 3.127 10 10 CGCERO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000180025332 329214646 /nfs/dbraw/zinc/21/46/46/329214646.db2.gz LPCLGMKWLOGCKO-MRXNPFEDSA-N 1 0 286.350 3.218 10 10 CGCERO COc1cccc(C[NH2+][C@H]2CCOc3c(C)cccc32)c1O ZINC000188946146 329375901 /nfs/dbraw/zinc/37/59/01/329375901.db2.gz CYFPQBWEBVVXHT-HNNXBMFYSA-N 1 0 299.370 3.323 10 10 CGCERO CCN(CC(C)C)c1c(F)cc(C[NH2+]C)cc1F ZINC000062710364 520414129 /nfs/dbraw/zinc/41/41/29/520414129.db2.gz ZVFDNDZEEXIPQQ-UHFFFAOYSA-N 1 0 256.340 3.167 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCCO1 ZINC000042811961 526356663 /nfs/dbraw/zinc/35/66/63/526356663.db2.gz PADGTSSJRKIJAU-CQSZACIVSA-N 1 0 271.360 3.204 10 10 CGCERO CCN(CC)c1ccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000085965237 625970750 /nfs/dbraw/zinc/97/07/50/625970750.db2.gz OLUXCOWUVYHWBY-WMZOPIPTSA-N 1 0 290.451 3.174 10 10 CGCERO Cc1ncsc1CN(C)c1ccc(C[NH3+])c(Cl)c1 ZINC000104434469 186000838 /nfs/dbraw/zinc/00/08/38/186000838.db2.gz SYVVZUDQNUYDKC-UHFFFAOYSA-N 1 0 281.812 3.200 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc2ccccc2c1O ZINC000134236610 371314505 /nfs/dbraw/zinc/31/45/05/371314505.db2.gz HEOZTWVGQMFLDK-HWWQOWPSSA-N 1 0 271.360 3.373 10 10 CGCERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000281582215 379840093 /nfs/dbraw/zinc/84/00/93/379840093.db2.gz LCQDOUXKQSAOHN-JHJVBQTASA-N 1 0 263.381 3.246 10 10 CGCERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000282149322 379862006 /nfs/dbraw/zinc/86/20/06/379862006.db2.gz HPVIXCILCSBJQS-MIFYACCESA-N 1 0 276.424 3.046 10 10 CGCERO CC(C)[NH2+]Cc1ccc(N2CCCCC2)c(F)c1 ZINC000034824119 134782098 /nfs/dbraw/zinc/78/20/98/134782098.db2.gz APCUFPFSXPMRMN-UHFFFAOYSA-N 1 0 250.361 3.314 10 10 CGCERO CCN(Cc1cccc(F)c1)c1ccc(C[NH3+])cc1 ZINC000034654435 171848492 /nfs/dbraw/zinc/84/84/92/171848492.db2.gz SZNVSEXSJGKSJG-UHFFFAOYSA-N 1 0 258.340 3.311 10 10 CGCERO CC[C@@H](C)C[N@H+](C)CCCOc1ccc(N)cc1 ZINC000037172192 173005102 /nfs/dbraw/zinc/00/51/02/173005102.db2.gz DXUAYVUBXFRCTP-CYBMUJFWSA-N 1 0 250.386 3.016 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1O ZINC000248923782 329902480 /nfs/dbraw/zinc/90/24/80/329902480.db2.gz WXAGJGFVKDYSNM-NORZTCDRSA-N 1 0 261.365 3.000 10 10 CGCERO Cc1cc(NCc2ccc(N3CC=CC3)cc2)cc[nH+]1 ZINC000302597371 533998811 /nfs/dbraw/zinc/99/88/11/533998811.db2.gz XSDFSGSJDAHSCT-UHFFFAOYSA-N 1 0 265.360 3.378 10 10 CGCERO COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000037070962 524887522 /nfs/dbraw/zinc/88/75/22/524887522.db2.gz SIKPCDSWCGIPCZ-GFCCVEGCSA-N 1 0 287.359 3.260 10 10 CGCERO Cc1cc(N(C)[C@@H]2CCSC2)ccc1C[NH2+]C1CC1 ZINC000050582031 525028597 /nfs/dbraw/zinc/02/85/97/525028597.db2.gz MIFKROBEBSMNIU-MRXNPFEDSA-N 1 0 276.449 3.189 10 10 CGCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@H]2C(C)C)cc1 ZINC000083550022 536708542 /nfs/dbraw/zinc/70/85/42/536708542.db2.gz ZQQFHOVWBLIKJF-IRXDYDNUSA-N 1 0 276.424 3.154 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000248169050 618701471 /nfs/dbraw/zinc/70/14/71/618701471.db2.gz UJNUUKXIBGQOHJ-RYQLBKOJSA-N 1 0 290.451 3.344 10 10 CGCERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)cc(C)c3O)C2)c1 ZINC000164387749 622829494 /nfs/dbraw/zinc/82/94/94/622829494.db2.gz VFHMXESYRJTYEO-QGZVFWFLSA-N 1 0 299.418 3.351 10 10 CGCERO Cc1cccc([C@@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000157191787 639987956 /nfs/dbraw/zinc/98/79/56/639987956.db2.gz AGNUJHINHQLDJK-GFCCVEGCSA-N 1 0 285.343 3.280 10 10 CGCERO C[C@H](C[N@@H+]1CCc2cccc(O)c2C1)OCc1ccccc1 ZINC000090769597 180037640 /nfs/dbraw/zinc/03/76/40/180037640.db2.gz IFIQZMQQYONDMM-OAHLLOKOSA-N 1 0 297.398 3.356 10 10 CGCERO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000093438160 370129530 /nfs/dbraw/zinc/12/95/30/370129530.db2.gz UGKLPHSGERLBOU-AWEZNQCLSA-N 1 0 291.782 3.496 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@]12CCOC2 ZINC000311771957 374255903 /nfs/dbraw/zinc/25/59/03/374255903.db2.gz GPGPFIZROVECDB-ZBFHGGJFSA-N 1 0 261.365 3.098 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCOCC12CCCC2 ZINC000377542341 392885308 /nfs/dbraw/zinc/88/53/08/392885308.db2.gz NYEHSNXOSWOVOV-HNNXBMFYSA-N 1 0 275.392 3.488 10 10 CGCERO C[C@H]1C[C@H](C)CN(c2ccc(C[NH2+]C3CC3)cc2)C1 ZINC000034824014 134782153 /nfs/dbraw/zinc/78/21/53/134782153.db2.gz VPXIQZKFIFGKON-KBPBESRZSA-N 1 0 258.409 3.421 10 10 CGCERO C[C@@H]([NH2+]Cc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000020147800 171035292 /nfs/dbraw/zinc/03/52/92/171035292.db2.gz GNKLOCUPPBYRKJ-SNVBAGLBSA-N 1 0 261.296 3.088 10 10 CGCERO Cc1ccc(CN(C)c2ccc([C@@H](C)[NH3+])cc2F)o1 ZINC000035699874 172367709 /nfs/dbraw/zinc/36/77/09/172367709.db2.gz WCBYOSLBTSZQSH-LLVKDONJSA-N 1 0 262.328 3.383 10 10 CGCERO CCCCCCN(CCC[NH3+])c1ccc(OC)cc1 ZINC000037298615 173102345 /nfs/dbraw/zinc/10/23/45/173102345.db2.gz UDJSQWTUSXCTSX-UHFFFAOYSA-N 1 0 264.413 3.431 10 10 CGCERO CC[C@H]1CCCN1c1ccc([C@@H](C)[NH2+]C)cc1F ZINC000037914115 173847730 /nfs/dbraw/zinc/84/77/30/173847730.db2.gz XBRYLJOAHCAMNW-YPMHNXCESA-N 1 0 250.361 3.485 10 10 CGCERO C[C@H]([NH2+][C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1O ZINC000248384704 329890681 /nfs/dbraw/zinc/89/06/81/329890681.db2.gz FUSPAUQZVVUQBV-XEZPLFJOSA-N 1 0 293.432 3.098 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)c(O)c1 ZINC000248532664 329891246 /nfs/dbraw/zinc/89/12/46/329891246.db2.gz YRCWWZITMZOFDK-ULFGMLNVSA-N 1 0 283.371 3.010 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251254879 334358928 /nfs/dbraw/zinc/35/89/28/334358928.db2.gz NBTXOIXRJACKQG-GOEBONIOSA-N 1 0 274.408 3.013 10 10 CGCERO CC(C)C[NH2+]Cc1ccc(N(C)C2CC2)c(F)c1 ZINC000062735108 519747175 /nfs/dbraw/zinc/74/71/75/519747175.db2.gz KAQXZJNQGFBFFI-UHFFFAOYSA-N 1 0 250.361 3.170 10 10 CGCERO CC[NH2+]Cc1ccc(N2Cc3ccccc3C2)cc1 ZINC000050911748 519997411 /nfs/dbraw/zinc/99/74/11/519997411.db2.gz PBKNHICDXBSYFL-UHFFFAOYSA-N 1 0 252.361 3.316 10 10 CGCERO CC[C@@H]1CCCN1c1c(F)cc(C[NH2+]C)cc1F ZINC000062711507 523271123 /nfs/dbraw/zinc/27/11/23/523271123.db2.gz WJULSRHKWHGBNE-LLVKDONJSA-N 1 0 254.324 3.063 10 10 CGCERO COc1ccc(N(C)CCCC[NH2+]C(C)(C)C)cc1 ZINC000052541728 524351750 /nfs/dbraw/zinc/35/17/50/524351750.db2.gz KIZCLVPEDBSAIR-UHFFFAOYSA-N 1 0 264.413 3.300 10 10 CGCERO Cc1ccc(O)c(C[NH2+][C@H](CN(C)C)c2ccccc2)c1 ZINC000071406468 525355089 /nfs/dbraw/zinc/35/50/89/525355089.db2.gz MBHDANYSNMAEMR-QGZVFWFLSA-N 1 0 284.403 3.093 10 10 CGCERO CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)c(C)cc1O ZINC000248405666 619379863 /nfs/dbraw/zinc/37/98/63/619379863.db2.gz BBKFFZGIBMPQSY-IRXDYDNUSA-N 1 0 288.435 3.068 10 10 CGCERO COc1ccc(O)c(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000020130163 634490640 /nfs/dbraw/zinc/49/06/40/634490640.db2.gz UNFFYXHHUKONNU-INIZCTEOSA-N 1 0 269.344 3.178 10 10 CGCERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(N(C)C)cc1 ZINC000133032723 636864005 /nfs/dbraw/zinc/86/40/05/636864005.db2.gz KWKVOBRXYNXZJN-SJLPKXTDSA-N 1 0 289.467 3.278 10 10 CGCERO CCN(c1ccc(C[NH3+])cc1F)C1CCCCC1 ZINC000020469690 184535647 /nfs/dbraw/zinc/53/56/47/184535647.db2.gz INHCKTQDDCOBFE-UHFFFAOYSA-N 1 0 250.361 3.443 10 10 CGCERO COc1cccc(C[NH2+][C@@H](C)c2cccc(F)c2)c1O ZINC000020147870 171035187 /nfs/dbraw/zinc/03/51/87/171035187.db2.gz UOPQSILRJPQNSX-NSHDSACASA-N 1 0 275.323 3.391 10 10 CGCERO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+]Cc1ccnc(C)n1 ZINC000038037453 174038145 /nfs/dbraw/zinc/03/81/45/174038145.db2.gz HPSHJQALPIUYQV-RISCZKNCSA-N 1 0 283.375 3.137 10 10 CGCERO CCN(CC)c1ccc([C@@H](C[NH3+])N2CCCCC2)cc1 ZINC000039789121 174173019 /nfs/dbraw/zinc/17/30/19/174173019.db2.gz FENAADOOQJYEAW-QGZVFWFLSA-N 1 0 275.440 3.019 10 10 CGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000037167032 260071801 /nfs/dbraw/zinc/07/18/01/260071801.db2.gz RFCWZLORMDXSTN-ZIAGYGMSSA-N 1 0 294.439 3.028 10 10 CGCERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)c1 ZINC000152909155 261071307 /nfs/dbraw/zinc/07/13/07/261071307.db2.gz LFVXOBROPHNUQY-KRWDZBQOSA-N 1 0 299.418 3.351 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000368030804 327203163 /nfs/dbraw/zinc/20/31/63/327203163.db2.gz PPAPNTBAZIJCEW-UKRRQHHQSA-N 1 0 263.381 3.344 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c(O)c1 ZINC000185466379 329274059 /nfs/dbraw/zinc/27/40/59/329274059.db2.gz YRCWWZITMZOFDK-XZOAIXRZSA-N 1 0 283.371 3.010 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccccc1O ZINC000248541621 329891436 /nfs/dbraw/zinc/89/14/36/329891436.db2.gz BZQDUGISPBIISC-UKPHBRMFSA-N 1 0 275.392 3.391 10 10 CGCERO Oc1ccc(F)cc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000226581998 333265219 /nfs/dbraw/zinc/26/52/19/333265219.db2.gz DEAPDPLJGFUBPV-AWEZNQCLSA-N 1 0 273.307 3.145 10 10 CGCERO CCCC1CCN(c2c(F)cc(C[NH3+])cc2F)CC1 ZINC000062718992 519903380 /nfs/dbraw/zinc/90/33/80/519903380.db2.gz OTBQFTPHWZCZMU-UHFFFAOYSA-N 1 0 268.351 3.440 10 10 CGCERO C[NH2+]Cc1cc(F)c(N2C[C@@H](C)C[C@H](C)C2)c(F)c1 ZINC000062709574 522115454 /nfs/dbraw/zinc/11/54/54/522115454.db2.gz KIWFCYKELIMMDO-QWRGUYRKSA-N 1 0 268.351 3.167 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085977001 526355996 /nfs/dbraw/zinc/35/59/96/526355996.db2.gz UKASGCLKACTCEA-YOEHRIQHSA-N 1 0 285.387 3.186 10 10 CGCERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000153774244 624074288 /nfs/dbraw/zinc/07/42/88/624074288.db2.gz UJNUUKXIBGQOHJ-NJAFHUGGSA-N 1 0 290.451 3.344 10 10 CGCERO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@H]1CCCO1 ZINC000248492649 640764627 /nfs/dbraw/zinc/76/46/27/640764627.db2.gz JIHHUUAMVBCIFY-VEVIJQCQSA-N 1 0 289.419 3.489 10 10 CGCERO Cc1ccc(O)c(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000092758219 370100580 /nfs/dbraw/zinc/10/05/80/370100580.db2.gz AJMISSUMDFZOJX-KRWDZBQOSA-N 1 0 282.387 3.387 10 10 CGCERO Oc1ccc(Cl)cc1C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000093438159 370129734 /nfs/dbraw/zinc/12/97/34/370129734.db2.gz UGKLPHSGERLBOU-CQSZACIVSA-N 1 0 291.782 3.496 10 10 CGCERO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(O)cc1O ZINC000020126146 171009434 /nfs/dbraw/zinc/00/94/34/171009434.db2.gz HJTWBFMBFFFHRK-GFCCVEGCSA-N 1 0 257.333 3.257 10 10 CGCERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccnc2)c(O)c1 ZINC000020128035 171014902 /nfs/dbraw/zinc/01/49/02/171014902.db2.gz RTYWBIOSPWUUOV-NWDGAFQWSA-N 1 0 272.348 3.208 10 10 CGCERO Oc1ccc(C[NH2+][C@H]2CCCc3ccccc32)cc1O ZINC000020133478 171021238 /nfs/dbraw/zinc/02/12/38/171021238.db2.gz VOOKNTNVXAQLHM-HNNXBMFYSA-N 1 0 269.344 3.265 10 10 CGCERO CC[C@H](C)N(CCOC)c1ccc([C@@H](C)[NH2+]C)cc1 ZINC000042584743 174807547 /nfs/dbraw/zinc/80/75/47/174807547.db2.gz DFSYSVXGJVZNMU-UONOGXRCSA-N 1 0 264.413 3.218 10 10 CGCERO COc1ccc([C@H](Sc2nccs2)[C@@H](C)[NH3+])cc1 ZINC000042965198 174928614 /nfs/dbraw/zinc/92/86/14/174928614.db2.gz XMSFDNOUAGHTKG-BXKDBHETSA-N 1 0 280.418 3.332 10 10 CGCERO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000152888939 261071480 /nfs/dbraw/zinc/07/14/80/261071480.db2.gz NCNMVIMVLXEQRH-JQFCIGGWSA-N 1 0 276.424 3.361 10 10 CGCERO C[C@@H](c1ccccc1O)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032526 274278195 /nfs/dbraw/zinc/27/81/95/274278195.db2.gz FPVPXKMQRVJEFT-LBPRGKRZSA-N 1 0 268.360 3.094 10 10 CGCERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179572661 329209762 /nfs/dbraw/zinc/20/97/62/329209762.db2.gz DUEHNJKHUANLLR-OAHLLOKOSA-N 1 0 285.391 3.080 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248750668 329898703 /nfs/dbraw/zinc/89/87/03/329898703.db2.gz FTMGZAVWFCJSOX-RVSPLBMKSA-N 1 0 275.392 3.309 10 10 CGCERO Cc1ccccc1[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879444 525414405 /nfs/dbraw/zinc/41/44/05/525414405.db2.gz SWOKIWAZIGXGQG-LBPRGKRZSA-N 1 0 285.343 3.280 10 10 CGCERO Oc1ccc(C[NH2+][C@@H]2CCCc3sccc32)c(O)c1 ZINC000061359867 526345595 /nfs/dbraw/zinc/34/55/95/526345595.db2.gz TXIJUJLZBRTSOT-CYBMUJFWSA-N 1 0 275.373 3.327 10 10 CGCERO Cc1cc(O)c([C@H]([NH3+])C2CC2)c(C)c1Br ZINC000095717474 619286805 /nfs/dbraw/zinc/28/68/05/619286805.db2.gz UYYRRSUYCXRZOX-GFCCVEGCSA-N 1 0 270.170 3.181 10 10 CGCERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617576 640798719 /nfs/dbraw/zinc/79/87/19/640798719.db2.gz YMEOZJAZWSQVIE-GXTWGEPZSA-N 1 0 282.403 3.158 10 10 CGCERO CNC(=S)N(C)c1c2ccccc2nc2ccccc21 ZINC000038242164 369144921 /nfs/dbraw/zinc/14/49/21/369144921.db2.gz HWCJNWAJYMQWCM-UHFFFAOYSA-N 1 0 281.384 3.329 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000248852074 377413643 /nfs/dbraw/zinc/41/36/43/377413643.db2.gz OWKATSZWVAWCSD-FDQGKXFDSA-N 1 0 288.435 3.361 10 10 CGCERO CC[C@H]1CCCCN1c1ccc(C[NH2+]C)cc1F ZINC000034824760 134783633 /nfs/dbraw/zinc/78/36/33/134783633.db2.gz PGXTVDYZRRZNTL-ZDUSSCGKSA-N 1 0 250.361 3.314 10 10 CGCERO CN(C)c1ccc([C@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020226123 171089389 /nfs/dbraw/zinc/08/93/89/171089389.db2.gz WMVXBALOIUNJCZ-SFHVURJKSA-N 1 0 289.467 3.265 10 10 CGCERO C[C@H]([NH3+])c1ccc(N(C)Cc2cccc(F)c2)cc1 ZINC000020266778 171123740 /nfs/dbraw/zinc/12/37/40/171123740.db2.gz MONXJLMHKXUGQV-LBPRGKRZSA-N 1 0 258.340 3.482 10 10 CGCERO COc1ccc([C@@H]([NH2+]C2CC2)c2ccccc2)c(O)c1 ZINC000022147128 171357167 /nfs/dbraw/zinc/35/71/67/171357167.db2.gz PCPSAOZJCYTVGH-KRWDZBQOSA-N 1 0 269.344 3.242 10 10 CGCERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccco2)c(O)c1 ZINC000035738599 172392043 /nfs/dbraw/zinc/39/20/43/172392043.db2.gz BOUKBOYWZAJJLK-QWRGUYRKSA-N 1 0 261.321 3.406 10 10 CGCERO CC[C@H]([NH2+]Cc1ncccc1C)c1ccccc1O ZINC000071339311 176130034 /nfs/dbraw/zinc/13/00/34/176130034.db2.gz YSYRYOFLQHBLEL-AWEZNQCLSA-N 1 0 256.349 3.337 10 10 CGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000187026568 329351606 /nfs/dbraw/zinc/35/16/06/329351606.db2.gz OSHZCZKBLCLCEB-KZNAEPCWSA-N 1 0 288.435 3.190 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(O)c1 ZINC000248521723 329891235 /nfs/dbraw/zinc/89/12/35/329891235.db2.gz RQFOJULHAJJZBZ-ZCDTZLGTSA-N 1 0 275.392 3.165 10 10 CGCERO COc1ccc(O)c(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000037074232 524756584 /nfs/dbraw/zinc/75/65/84/524756584.db2.gz SCHWYZCDAPZPLK-OAHLLOKOSA-N 1 0 285.343 3.014 10 10 CGCERO N#[N+]CC(=O)c1ccccc1Sc1ccccc1 ZINC000584603990 534975044 /nfs/dbraw/zinc/97/50/44/534975044.db2.gz ZCQIZHDMUSLPHD-UHFFFAOYSA-N 1 0 254.314 3.321 10 10 CGCERO CCN(CC)c1ccc(C[NH2+][C@H]2CCCN(CC)C2)cc1 ZINC000058335110 622922224 /nfs/dbraw/zinc/92/22/24/622922224.db2.gz XPIYEVGPRYTHQA-KRWDZBQOSA-N 1 0 289.467 3.107 10 10 CGCERO C[C@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCS1 ZINC000171606472 623179503 /nfs/dbraw/zinc/17/95/03/623179503.db2.gz VBGHANUHDUZXCG-LBPRGKRZSA-N 1 0 273.401 3.483 10 10 CGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000135647577 637150271 /nfs/dbraw/zinc/15/02/71/637150271.db2.gz DKVWJHHWTYGDLM-QZTJIDSGSA-N 1 0 290.451 3.316 10 10 CGCERO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000248137880 640744769 /nfs/dbraw/zinc/74/47/69/640744769.db2.gz PHVLKTBFRWXIMS-BPQIPLTHSA-N 1 0 290.451 3.344 10 10 CGCERO Oc1ccc(Cl)cc1C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000092810807 370104280 /nfs/dbraw/zinc/10/42/80/370104280.db2.gz BCLMUNJYBWPGRX-UHFFFAOYSA-N 1 0 291.782 3.148 10 10 CGCERO COc1cccc(C[N@@H+]2CCC[C@H]2c2ccco2)c1O ZINC000093335281 370118665 /nfs/dbraw/zinc/11/86/65/370118665.db2.gz IPQLTKLTSRNHRY-ZDUSSCGKSA-N 1 0 273.332 3.331 10 10 CGCERO Oc1ccccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000245578979 376859856 /nfs/dbraw/zinc/85/98/56/376859856.db2.gz ANSRTAGCJGKQFQ-UKRRQHHQSA-N 1 0 263.406 3.252 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1O ZINC000248384705 377301161 /nfs/dbraw/zinc/30/11/61/377301161.db2.gz FUSPAUQZVVUQBV-ZENOOKHLSA-N 1 0 293.432 3.098 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249848300 377535809 /nfs/dbraw/zinc/53/58/09/377535809.db2.gz OWLXQHMHDLPUBP-YXJHDRRASA-N 1 0 283.371 3.203 10 10 CGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000250077506 377548276 /nfs/dbraw/zinc/54/82/76/377548276.db2.gz OSHZCZKBLCLCEB-KSZLIROESA-N 1 0 288.435 3.190 10 10 CGCERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000281593162 379839307 /nfs/dbraw/zinc/83/93/07/379839307.db2.gz LSZZUSWZOCTJRK-RNJOBUHISA-N 1 0 281.371 3.386 10 10 CGCERO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000093437870 392237013 /nfs/dbraw/zinc/23/70/13/392237013.db2.gz BVLJGQFKNMPIOG-QGZVFWFLSA-N 1 0 284.407 3.203 10 10 CGCERO CN(C)c1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000020146122 171032009 /nfs/dbraw/zinc/03/20/09/171032009.db2.gz PYSCYJFXTMPQRT-KRWDZBQOSA-N 1 0 282.387 3.366 10 10 CGCERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccccc1O ZINC000037167216 173001714 /nfs/dbraw/zinc/00/17/14/173001714.db2.gz RPNKYNMWBLGRTC-ZIAGYGMSSA-N 1 0 264.413 3.019 10 10 CGCERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc(Cl)ccc1O ZINC000185001062 262036571 /nfs/dbraw/zinc/03/65/71/262036571.db2.gz UYPZCRHSQAOCSB-BHDSKKPTSA-N 1 0 269.772 3.264 10 10 CGCERO CCC[NH+](CCC)[C@H]1CCc2c(O)c(O)ccc2C1 ZINC000005833076 276252884 /nfs/dbraw/zinc/25/28/84/276252884.db2.gz JQHSYAQISCFWOK-ZDUSSCGKSA-N 1 0 263.381 3.077 10 10 CGCERO Cc1ccc([C@@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)o1 ZINC000180643093 329221599 /nfs/dbraw/zinc/22/15/99/329221599.db2.gz IVSZNNAGBXXHSV-INIZCTEOSA-N 1 0 287.359 3.176 10 10 CGCERO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccccc1O ZINC000187274791 329356307 /nfs/dbraw/zinc/35/63/07/329356307.db2.gz VYSOSTKMIPCECE-HLPPOEQASA-N 1 0 261.365 3.000 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c(O)c1 ZINC000248780895 329899133 /nfs/dbraw/zinc/89/91/33/329899133.db2.gz HYPURFQDIAWEFZ-DXCKQFNASA-N 1 0 275.392 3.309 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000217824128 333124128 /nfs/dbraw/zinc/12/41/28/333124128.db2.gz BXAMRXCSZDJDHQ-HLLBOEOZSA-N 1 0 275.392 3.487 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000228155884 333295985 /nfs/dbraw/zinc/29/59/85/333295985.db2.gz BXAMRXCSZDJDHQ-BFYDXBDKSA-N 1 0 275.392 3.487 10 10 CGCERO C[NH2+]Cc1cc(F)c(N2C[C@H](C)C[C@H](C)C2)c(F)c1 ZINC000062709571 522115475 /nfs/dbraw/zinc/11/54/75/522115475.db2.gz KIWFCYKELIMMDO-PHIMTYICSA-N 1 0 268.351 3.167 10 10 CGCERO COCCCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000044655366 523172316 /nfs/dbraw/zinc/17/23/16/523172316.db2.gz ROQSYOFUEDNXIE-UHFFFAOYSA-N 1 0 259.349 3.062 10 10 CGCERO COCCCN(C)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062738436 523234624 /nfs/dbraw/zinc/23/46/24/523234624.db2.gz FKYWFAVTXHMPAA-UHFFFAOYSA-N 1 0 264.413 3.047 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N(C)[C@@H]2CCSC2)c(Cl)c1 ZINC000061695003 525027552 /nfs/dbraw/zinc/02/75/52/525027552.db2.gz CTEMDJDRCVYJCC-MWLCHTKSSA-N 1 0 270.829 3.301 10 10 CGCERO C[C@@H]([NH2+][C@@H](C)c1cc2c(cc1O)CCCC2)[C@@H]1CCCO1 ZINC000185001359 625291130 /nfs/dbraw/zinc/29/11/30/625291130.db2.gz JIHHUUAMVBCIFY-JCGVRSQUSA-N 1 0 289.419 3.489 10 10 CGCERO Cc1cc(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)cc1C ZINC000251077019 640820830 /nfs/dbraw/zinc/82/08/30/640820830.db2.gz PYHIMYFEIINFQW-WBVHZDCISA-N 1 0 275.392 3.152 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N2CCc3sccc3C2)c(F)c1 ZINC000019872147 136579374 /nfs/dbraw/zinc/57/93/74/136579374.db2.gz UGCTVXBEIXTNGJ-SNVBAGLBSA-N 1 0 276.380 3.470 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000248489029 377330797 /nfs/dbraw/zinc/33/07/97/377330797.db2.gz HDADHRVGFRBFOZ-LBEHMCEESA-N 1 0 275.392 3.309 10 10 CGCERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2cccnc2)c(O)c1 ZINC000020128037 171014319 /nfs/dbraw/zinc/01/43/19/171014319.db2.gz RTYWBIOSPWUUOV-VXGBXAGGSA-N 1 0 272.348 3.208 10 10 CGCERO Cc1ncsc1[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037233647 173052480 /nfs/dbraw/zinc/05/24/80/173052480.db2.gz LMOMBFXLXIGVLY-LLVKDONJSA-N 1 0 275.421 3.368 10 10 CGCERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000159033887 261176584 /nfs/dbraw/zinc/17/65/84/261176584.db2.gz FPAMOXGYGAWUPI-ZIAGYGMSSA-N 1 0 294.414 3.357 10 10 CGCERO Cc1cnn(CC[NH2+][C@H](C)c2ccc3ccccc3c2O)c1 ZINC000185843279 262309659 /nfs/dbraw/zinc/30/96/59/262309659.db2.gz RTPVJBBTVYFKRM-CQSZACIVSA-N 1 0 295.386 3.401 10 10 CGCERO C[C@H]([NH2+][C@H]1Cc2ccccc2[C@H]1O)c1ccc(N(C)C)cc1 ZINC000248201446 329888535 /nfs/dbraw/zinc/88/85/35/329888535.db2.gz YVEKEFPBGSHTCU-FASAQXTFSA-N 1 0 296.414 3.062 10 10 CGCERO CCOCc1ccccc1C[NH2+]Cc1cccc(F)c1[O-] ZINC000165020009 331305721 /nfs/dbraw/zinc/30/57/21/331305721.db2.gz CBBLHOJPRUZVKP-UHFFFAOYSA-N 1 0 289.350 3.358 10 10 CGCERO CCOc1cccc(C[NH2+][C@H]2COc3ccccc32)c1O ZINC000070070166 521375676 /nfs/dbraw/zinc/37/56/76/521375676.db2.gz MQXASKIQGZAYBW-AWEZNQCLSA-N 1 0 285.343 3.014 10 10 CGCERO COc1ccc(N2CC[C@@H](C[NH2+]C(C)C)C2)cc1Cl ZINC000053011788 524441027 /nfs/dbraw/zinc/44/10/27/524441027.db2.gz BODINJHFFZMYES-LBPRGKRZSA-N 1 0 282.815 3.173 10 10 CGCERO Cc1cc(C[NH2+]C(C)C)ccc1N(C)[C@@H]1CCSC1 ZINC000050560238 524751036 /nfs/dbraw/zinc/75/10/36/524751036.db2.gz HOFHSBLJSNBXHM-OAHLLOKOSA-N 1 0 278.465 3.435 10 10 CGCERO Cc1cc(N(C)Cc2cccc(F)c2)ccc1C[NH3+] ZINC000050581605 525029290 /nfs/dbraw/zinc/02/92/90/525029290.db2.gz WDLLQCGHNZAJQL-UHFFFAOYSA-N 1 0 258.340 3.229 10 10 CGCERO Cc1ccc(C[N@H+](C)CCOc2ccc(N)cc2)cc1 ZINC000036671483 344944802 /nfs/dbraw/zinc/94/48/02/344944802.db2.gz WJCLGSVTSWGWKG-UHFFFAOYSA-N 1 0 270.376 3.088 10 10 CGCERO C[C@H]([NH3+])c1ccc(N2CCc3ccccc3C2)c(F)c1 ZINC000019872384 136579568 /nfs/dbraw/zinc/57/95/68/136579568.db2.gz CPMWRZIGLGKVLO-LBPRGKRZSA-N 1 0 270.351 3.408 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 ZINC000248523424 377335075 /nfs/dbraw/zinc/33/50/75/377335075.db2.gz SMRXICIKOSKXSY-UAXWRAGISA-N 1 0 275.392 3.165 10 10 CGCERO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccccc1O ZINC000251990736 377608376 /nfs/dbraw/zinc/60/83/76/377608376.db2.gz VYSOSTKMIPCECE-AYDFFVQHSA-N 1 0 261.365 3.000 10 10 CGCERO COc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1C ZINC000282063948 379850742 /nfs/dbraw/zinc/85/07/42/379850742.db2.gz BLHWDSRVTPFZEG-ZIAGYGMSSA-N 1 0 277.408 3.297 10 10 CGCERO CC[NH2+]Cc1ccc(N(C)C2CCCC2)c(F)c1 ZINC000034824806 171878975 /nfs/dbraw/zinc/87/89/75/171878975.db2.gz UBIDPXORVJFLLL-UHFFFAOYSA-N 1 0 250.361 3.314 10 10 CGCERO CC[NH2+]Cc1ccc(N(C)Cc2ccsc2)cc1 ZINC000035719613 172373813 /nfs/dbraw/zinc/37/38/13/172373813.db2.gz FRNGVMOCNYMJLO-UHFFFAOYSA-N 1 0 260.406 3.494 10 10 CGCERO C[C@@H]1CCCN1c1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000037909601 173842099 /nfs/dbraw/zinc/84/20/99/173842099.db2.gz PRHOTKDZRSOQOV-SECBINFHSA-N 1 0 258.287 3.153 10 10 CGCERO C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](CN)c1ccc(N(C)C)cc1 ZINC000039789101 174173699 /nfs/dbraw/zinc/17/36/99/174173699.db2.gz DMQOLRCIEMXWGH-VBQJREDUSA-N 1 0 275.440 3.015 10 10 CGCERO C[NH+](C)Cc1cccc(NCc2cccc(F)c2O)c1 ZINC000164964881 331305469 /nfs/dbraw/zinc/30/54/69/331305469.db2.gz PUIRXGBNXYGKOP-UHFFFAOYSA-N 1 0 274.339 3.205 10 10 CGCERO CCCOc1ccc(N2CC[C@H](C[NH2+]C(C)C)C2)cc1 ZINC000053035090 520386054 /nfs/dbraw/zinc/38/60/54/520386054.db2.gz GNGCDYPGYJHAAT-OAHLLOKOSA-N 1 0 276.424 3.300 10 10 CGCERO C[C@@H]1CCCC[C@H]1N(C)c1c(F)cc(C[NH3+])cc1F ZINC000062713507 524162203 /nfs/dbraw/zinc/16/22/03/524162203.db2.gz UTGRMSVPKRJVME-QMTHXVAHSA-N 1 0 268.351 3.438 10 10 CGCERO Oc1ccc(C[NH2+][C@H]2CCCc3sccc32)cc1O ZINC000061331012 526344360 /nfs/dbraw/zinc/34/43/60/526344360.db2.gz SFGJJLGMUIZXQD-LBPRGKRZSA-N 1 0 275.373 3.327 10 10 CGCERO Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(N)cc2)s1 ZINC000049538734 526755066 /nfs/dbraw/zinc/75/50/66/526755066.db2.gz WLFMCBLWWARECE-VIFPVBQESA-N 1 0 261.394 3.193 10 10 CGCERO COCC[NH2+][C@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000035709570 536894463 /nfs/dbraw/zinc/89/44/63/536894463.db2.gz MFUFDHXPSZKSHX-UONOGXRCSA-N 1 0 294.414 3.359 10 10 CGCERO CC[C@@H]([NH3+])c1c(C)c(Br)c(C)c(C)c1O ZINC000757144324 617798021 /nfs/dbraw/zinc/79/80/21/617798021.db2.gz IJOGYKMKPTUPOO-SECBINFHSA-N 1 0 272.186 3.490 10 10 CGCERO CC[C@H]([NH3+])c1c(C)c(Br)c(C)c(C)c1O ZINC000757144328 617798433 /nfs/dbraw/zinc/79/84/33/617798433.db2.gz IJOGYKMKPTUPOO-VIFPVBQESA-N 1 0 272.186 3.490 10 10 CGCERO CCC[C@H]([NH3+])c1cc(Br)cc(F)c1[O-] ZINC000095769849 619287720 /nfs/dbraw/zinc/28/77/20/619287720.db2.gz XSMDOEAGOIVPCJ-VIFPVBQESA-N 1 0 262.122 3.094 10 10 CGCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)ccc1O ZINC000165057403 622854282 /nfs/dbraw/zinc/85/42/82/622854282.db2.gz RZCNUFSDWINRFE-BXKDBHETSA-N 1 0 284.197 3.433 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000248140224 640744333 /nfs/dbraw/zinc/74/43/33/640744333.db2.gz POJBDNASOKDETK-LESCRADOSA-N 1 0 290.451 3.344 10 10 CGCERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Br)cc1O ZINC000134918255 371375377 /nfs/dbraw/zinc/37/53/77/371375377.db2.gz XJFDHZQVHFAOCN-LAEOZQHASA-N 1 0 270.170 3.214 10 10 CGCERO Oc1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000245598870 376864015 /nfs/dbraw/zinc/86/40/15/376864015.db2.gz JMVBIJNOGTVQCN-GOEBONIOSA-N 1 0 287.359 3.073 10 10 CGCERO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246460503 377035105 /nfs/dbraw/zinc/03/51/05/377035105.db2.gz OCJJORYFYOMFEH-CRAIPNDOSA-N 1 0 298.434 3.032 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)c1 ZINC000248765434 377398693 /nfs/dbraw/zinc/39/86/93/377398693.db2.gz WWPUIRQYOUODPK-WRFANHODSA-N 1 0 287.403 3.309 10 10 CGCERO C[C@H]1CC(C[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000282321768 379897404 /nfs/dbraw/zinc/89/74/04/379897404.db2.gz TVLNATQUMSKGPG-QWRGUYRKSA-N 1 0 283.799 3.339 10 10 CGCERO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438391 392236935 /nfs/dbraw/zinc/23/69/35/392236935.db2.gz AJQNCDFKIOQQGZ-HNNXBMFYSA-N 1 0 271.364 3.151 10 10 CGCERO Cc1ccc(CN(C)c2ccc(C[NH3+])cc2C)cc1 ZINC000037733179 173653466 /nfs/dbraw/zinc/65/34/66/173653466.db2.gz PMDGFGWWSYENJQ-UHFFFAOYSA-N 1 0 254.377 3.399 10 10 CGCERO Cc1cc(C[NH3+])ccc1N(CC(F)(F)F)C(C)C ZINC000042736401 174859126 /nfs/dbraw/zinc/85/91/26/174859126.db2.gz IAQHZXBIXSMHEL-UHFFFAOYSA-N 1 0 260.303 3.231 10 10 CGCERO Cc1ccc([C@@H](C)[NH2+]Cc2ncccc2C)c(O)c1 ZINC000071339534 176129978 /nfs/dbraw/zinc/12/99/78/176129978.db2.gz KTTHGOZUZIQGLI-CYBMUJFWSA-N 1 0 256.349 3.255 10 10 CGCERO COc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1O ZINC000020129775 274147029 /nfs/dbraw/zinc/14/70/29/274147029.db2.gz PUPYCVIGFGABML-HNNXBMFYSA-N 1 0 269.344 3.178 10 10 CGCERO CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000164929300 331305499 /nfs/dbraw/zinc/30/54/99/331305499.db2.gz GYBOKSZYQHKYJX-ZDUSSCGKSA-N 1 0 282.403 3.131 10 10 CGCERO CCC[NH2+]C[C@@H]1CCN(c2ccc(OC)c(Cl)c2)C1 ZINC000053011784 519922755 /nfs/dbraw/zinc/92/27/55/519922755.db2.gz XWVQWTMRBFDLJI-LBPRGKRZSA-N 1 0 282.815 3.175 10 10 CGCERO CCOCc1cc(C[NH2+]C(C)(C)C)ccc1OC ZINC000050125678 520185096 /nfs/dbraw/zinc/18/50/96/520185096.db2.gz QRBOREZVFGAHIU-UHFFFAOYSA-N 1 0 251.370 3.120 10 10 CGCERO CN(Cc1ccco1)c1ccc(C[NH3+])cc1Cl ZINC000062792876 523438921 /nfs/dbraw/zinc/43/89/21/523438921.db2.gz WJRCBUCHRAROEY-UHFFFAOYSA-N 1 0 250.729 3.028 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCCO1 ZINC000042811957 526356964 /nfs/dbraw/zinc/35/69/64/526356964.db2.gz PADGTSSJRKIJAU-AWEZNQCLSA-N 1 0 271.360 3.204 10 10 CGCERO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)c(C)cc1O ZINC000182076923 619031980 /nfs/dbraw/zinc/03/19/80/619031980.db2.gz BBKFFZGIBMPQSY-IAGOWNOFSA-N 1 0 288.435 3.068 10 10 CGCERO C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2[O-])C1 ZINC000226586185 622986675 /nfs/dbraw/zinc/98/66/75/622986675.db2.gz YEYVWFVTMVSNAG-NWDGAFQWSA-N 1 0 251.345 3.447 10 10 CGCERO C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(F)c2[O-])C1 ZINC000226586188 622987012 /nfs/dbraw/zinc/98/70/12/622987012.db2.gz YEYVWFVTMVSNAG-NEPJUHHUSA-N 1 0 251.345 3.447 10 10 CGCERO Nc1ccc(OCCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000019731927 344890729 /nfs/dbraw/zinc/89/07/29/344890729.db2.gz WUBFIKFGNRUXQI-UHFFFAOYSA-N 1 0 282.387 3.096 10 10 CGCERO CCO[C@@H]1CCCN(c2ccc([C@H](C)[NH3+])cc2Cl)C1 ZINC000103964167 136553606 /nfs/dbraw/zinc/55/36/06/136553606.db2.gz ZYNDDAPHWWKEDW-WCQYABFASA-N 1 0 282.815 3.365 10 10 CGCERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000131875100 371135871 /nfs/dbraw/zinc/13/58/71/371135871.db2.gz PEKDUMGJFNOGMT-CQSZACIVSA-N 1 0 291.782 3.116 10 10 CGCERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(O)cc1O ZINC000020126147 171009553 /nfs/dbraw/zinc/00/95/53/171009553.db2.gz HJTWBFMBFFFHRK-LBPRGKRZSA-N 1 0 257.333 3.257 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCOC1 ZINC000038044093 174051571 /nfs/dbraw/zinc/05/15/71/174051571.db2.gz PTVUTDSTWFXGRO-CYBMUJFWSA-N 1 0 271.360 3.062 10 10 CGCERO Cc1cc(O)c(CN2CCC([NH+]3CCCC3)CC2)cc1C ZINC000151663262 327221078 /nfs/dbraw/zinc/22/10/78/327221078.db2.gz GUSWDSWOVFONAN-UHFFFAOYSA-N 1 0 288.435 3.069 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccccc1O ZINC000248383516 329890838 /nfs/dbraw/zinc/89/08/38/329890838.db2.gz AJDGLFQDKHDILT-YYWXWVFPSA-N 1 0 261.365 3.000 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000228143953 333295764 /nfs/dbraw/zinc/29/57/64/333295764.db2.gz CTFDEKMHKQMAGD-IIAWOOMASA-N 1 0 261.365 3.097 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N(C)CC(F)(F)F)c(Cl)c1 ZINC000061695861 525025954 /nfs/dbraw/zinc/02/59/54/525025954.db2.gz MLBUAABZYXNVMV-SSDOTTSWSA-N 1 0 266.694 3.358 10 10 CGCERO C[C@@H]([NH2+]Cc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000037062104 525538338 /nfs/dbraw/zinc/53/83/38/525538338.db2.gz DCUIPGXNWWETBC-GFCCVEGCSA-N 1 0 285.343 3.014 10 10 CGCERO Oc1ccc(C[NH2+][C@H]2CCCc3sccc32)c(O)c1 ZINC000061359868 526344893 /nfs/dbraw/zinc/34/48/93/526344893.db2.gz TXIJUJLZBRTSOT-ZDUSSCGKSA-N 1 0 275.373 3.327 10 10 CGCERO Cc1cc(Br)cc([C@H]([NH3+])C(C)C)c1O ZINC000095716988 619726720 /nfs/dbraw/zinc/72/67/20/619726720.db2.gz PGHGJFPYRJFWGG-SNVBAGLBSA-N 1 0 258.159 3.119 10 10 CGCERO Cc1cccc(C[NH2+][C@H]2CCc3ccccc3C2)c1O ZINC000158077014 623004406 /nfs/dbraw/zinc/00/44/06/623004406.db2.gz NCNZDMJRJMLXQM-KRWDZBQOSA-N 1 0 267.372 3.348 10 10 CGCERO C[C@@H]1C[N@H+](Cc2c(O)ccc3ccccc32)CCS1 ZINC000171606467 623178494 /nfs/dbraw/zinc/17/84/94/623178494.db2.gz VBGHANUHDUZXCG-GFCCVEGCSA-N 1 0 273.401 3.483 10 10 CGCERO Cc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1O ZINC000124675993 634479750 /nfs/dbraw/zinc/47/97/50/634479750.db2.gz SIZGQYLBHRGLGV-INIZCTEOSA-N 1 0 253.345 3.478 10 10 CGCERO Oc1cc(OCc2ccccc2)ccc1[C@H]1CCC[NH2+]1 ZINC000309613657 346469685 /nfs/dbraw/zinc/46/96/85/346469685.db2.gz PFFSOQCYKXHQPP-MRXNPFEDSA-N 1 0 269.344 3.396 10 10 CGCERO COc1ccc(O)c(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246017026 376953339 /nfs/dbraw/zinc/95/33/39/376953339.db2.gz ZRTSSQOKSFZBOJ-ZBFHGGJFSA-N 1 0 293.432 3.261 10 10 CGCERO CN(C)c1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000093437871 392238112 /nfs/dbraw/zinc/23/81/12/392238112.db2.gz BVLJGQFKNMPIOG-KRWDZBQOSA-N 1 0 284.407 3.203 10 10 CGCERO C[C@H]([NH2+]CCc1cccs1)c1cc(O)ccc1O ZINC000019949079 170938215 /nfs/dbraw/zinc/93/82/15/170938215.db2.gz GXGRGOFZXODUEJ-JTQLQIEISA-N 1 0 263.362 3.053 10 10 CGCERO COCc1cccc(C[NH2+][C@H](C)c2cc(O)ccc2O)c1 ZINC000038010511 173977461 /nfs/dbraw/zinc/97/74/61/173977461.db2.gz OYPXBJWEKNLSNM-GFCCVEGCSA-N 1 0 287.359 3.095 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2COc3ccccc32)c1 ZINC000070528556 326917768 /nfs/dbraw/zinc/91/77/68/326917768.db2.gz XBXJPGGFGCWYPQ-NHYWBVRUSA-N 1 0 285.343 3.185 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@H](OC)CC1 ZINC000368030805 327203142 /nfs/dbraw/zinc/20/31/42/327203142.db2.gz PPAPNTBAZIJCEW-ZFWWWQNUSA-N 1 0 263.381 3.344 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1O ZINC000248873567 329901306 /nfs/dbraw/zinc/90/13/06/329901306.db2.gz LGJRFLPQKIYTMV-DLTWYDFYSA-N 1 0 275.392 3.391 10 10 CGCERO C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(F)c1[O-] ZINC000165015242 331305607 /nfs/dbraw/zinc/30/56/07/331305607.db2.gz OUHIMRAYMIPMOJ-LBPRGKRZSA-N 1 0 289.350 3.348 10 10 CGCERO CCC[C@H](C)CN(CCC[NH3+])c1ccc(OC)cc1 ZINC000051297697 521017453 /nfs/dbraw/zinc/01/74/53/521017453.db2.gz NUMAYZOIUYZORQ-AWEZNQCLSA-N 1 0 264.413 3.287 10 10 CGCERO C[NH2+]Cc1cc(F)c(N(C)[C@H](C)C(C)C)c(F)c1 ZINC000062710969 522112495 /nfs/dbraw/zinc/11/24/95/522112495.db2.gz OBBKCFNJEFVZJW-SNVBAGLBSA-N 1 0 256.340 3.165 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccncc2)c(Cl)c1 ZINC000061695286 525026406 /nfs/dbraw/zinc/02/64/06/525026406.db2.gz DFWPPKOKZUXVFW-LLVKDONJSA-N 1 0 275.783 3.391 10 10 CGCERO Cc1cc(N2CC[C@@H]3CCCC[C@@H]3C2)ccc1C[NH3+] ZINC000050582578 525091891 /nfs/dbraw/zinc/09/18/91/525091891.db2.gz ZMERGKDQQKHEET-GOEBONIOSA-N 1 0 258.409 3.470 10 10 CGCERO COc1ccc(C[NH2+][C@H]2CCc3ccccc32)c(O)c1 ZINC000040905932 639898585 /nfs/dbraw/zinc/89/85/85/639898585.db2.gz CAJKFUQAYUXCDV-INIZCTEOSA-N 1 0 269.344 3.178 10 10 CGCERO CC1(C)CN(Cc2ccccc2)c2ccc(C[NH3+])cc2O1 ZINC000074337603 136484255 /nfs/dbraw/zinc/48/42/55/136484255.db2.gz SVCZPWKDUYOGQO-UHFFFAOYSA-N 1 0 282.387 3.323 10 10 CGCERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Br)cc1O ZINC000134918293 371375597 /nfs/dbraw/zinc/37/55/97/371375597.db2.gz XJFDHZQVHFAOCN-DKCNOQQISA-N 1 0 270.170 3.214 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000132765931 392461753 /nfs/dbraw/zinc/46/17/53/392461753.db2.gz CTFDEKMHKQMAGD-YCPHGPKFSA-N 1 0 261.365 3.097 10 10 CGCERO C[NH2+]Cc1ccc(N(C)Cc2ccsc2)c(F)c1 ZINC000035719604 172374296 /nfs/dbraw/zinc/37/42/96/172374296.db2.gz NQBDTONTKANQSE-UHFFFAOYSA-N 1 0 264.369 3.243 10 10 CGCERO CC[NH2+]Cc1ccc(N(CC)CC(F)(F)F)cc1 ZINC000042777306 174874430 /nfs/dbraw/zinc/87/44/30/174874430.db2.gz VOLPOIRPRHEZID-UHFFFAOYSA-N 1 0 260.303 3.185 10 10 CGCERO COc1cccc(C[NH2+][C@H]2CCOc3ccccc32)c1O ZINC000037074357 278013380 /nfs/dbraw/zinc/01/33/80/278013380.db2.gz NHYFLKOQNSETRW-AWEZNQCLSA-N 1 0 285.343 3.014 10 10 CGCERO C[C@@H]1CCN(c2c(F)cc(C[NH2+]C3CC3)cc2F)C1 ZINC000062711632 524523069 /nfs/dbraw/zinc/52/30/69/524523069.db2.gz DMHGHULJMNPADB-SNVBAGLBSA-N 1 0 266.335 3.063 10 10 CGCERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062747617 623267290 /nfs/dbraw/zinc/26/72/90/623267290.db2.gz DLEHUSPVYLQDQP-TZMCWYRMSA-N 1 0 282.403 3.158 10 10 CGCERO CC(C)CN1CCC[C@@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000183627470 625098889 /nfs/dbraw/zinc/09/88/89/625098889.db2.gz GMOVBCWLMHQRPI-HUUCEWRRSA-N 1 0 276.424 3.163 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000248140226 640744374 /nfs/dbraw/zinc/74/43/74/640744374.db2.gz POJBDNASOKDETK-ZVZYQTTQSA-N 1 0 290.451 3.344 10 10 CGCERO CC(C)(C)OC(=O)[C@@H]1CCC2(C1)CCC([N+]#N)CC2 ZINC000584640880 346702886 /nfs/dbraw/zinc/70/28/86/346702886.db2.gz IAGQTCZTWFRIOU-LLVKDONJSA-N 1 0 264.369 3.359 10 10 CGCERO CN(C)C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000097395313 370240867 /nfs/dbraw/zinc/24/08/67/370240867.db2.gz GGLDBUFIORAZRG-SFHVURJKSA-N 1 0 296.414 3.014 10 10 CGCERO [NH3+][C@@H](CCF)c1ccc(OCc2ccccc2)cc1O ZINC000575437953 377909796 /nfs/dbraw/zinc/90/97/96/377909796.db2.gz CWLYPVWOTJNXAU-HNNXBMFYSA-N 1 0 275.323 3.331 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCC2(C1)CCOCC2 ZINC000370213800 378994303 /nfs/dbraw/zinc/99/43/03/378994303.db2.gz XMBNMHUQNCUGKI-OAHLLOKOSA-N 1 0 275.392 3.346 10 10 CGCERO CC(C)[N@H+](Cc1ccncc1)Cc1ccc(N)cc1 ZINC000035365392 172155397 /nfs/dbraw/zinc/15/53/97/172155397.db2.gz WUCROVRZRCFMRK-UHFFFAOYSA-N 1 0 255.365 3.074 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCOC1 ZINC000038044092 174051759 /nfs/dbraw/zinc/05/17/59/174051759.db2.gz PTVUTDSTWFXGRO-ZDUSSCGKSA-N 1 0 271.360 3.062 10 10 CGCERO CCCN(CC(F)(F)F)c1ccc([C@@H](C)[NH3+])cc1 ZINC000042769627 174870560 /nfs/dbraw/zinc/87/05/60/174870560.db2.gz RMBYMSVMMGITOF-SNVBAGLBSA-N 1 0 260.303 3.485 10 10 CGCERO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1O ZINC000188565299 329369947 /nfs/dbraw/zinc/36/99/47/329369947.db2.gz NYOGYZDORHWYNQ-MGPQQGTHSA-N 1 0 281.783 3.011 10 10 CGCERO CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000164929190 331305526 /nfs/dbraw/zinc/30/55/26/331305526.db2.gz GYBOKSZYQHKYJX-CYBMUJFWSA-N 1 0 282.403 3.131 10 10 CGCERO COc1ccccc1C1CC([NH2+]Cc2ccccc2O)C1 ZINC000134485972 334091994 /nfs/dbraw/zinc/09/19/94/334091994.db2.gz OYXVFHGDOUHAFC-UHFFFAOYSA-N 1 0 283.371 3.437 10 10 CGCERO CCN(c1ccc([C@H](C)[NH3+])cc1Cl)[C@@H](C)COC ZINC000061697862 521492370 /nfs/dbraw/zinc/49/23/70/521492370.db2.gz OFJZQCKQLWUXFJ-QWRGUYRKSA-N 1 0 270.804 3.221 10 10 CGCERO COc1cc(Cl)cc(C[NH2+][C@H](C)C(C)C)c1O ZINC000228669315 522539568 /nfs/dbraw/zinc/53/95/68/522539568.db2.gz ACKTZCIHJCMOCO-SECBINFHSA-N 1 0 257.761 3.188 10 10 CGCERO CC[C@@H]([NH2+]Cc1cccc(O)c1O)c1cccs1 ZINC000049529649 522883541 /nfs/dbraw/zinc/88/35/41/522883541.db2.gz JZOMPPXSNHOFPY-LLVKDONJSA-N 1 0 263.362 3.400 10 10 CGCERO COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2O)c1 ZINC000037070961 524906039 /nfs/dbraw/zinc/90/60/39/524906039.db2.gz SIKPCDSWCGIPCZ-LBPRGKRZSA-N 1 0 287.359 3.260 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N2CCO[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000061697992 525028893 /nfs/dbraw/zinc/02/88/93/525028893.db2.gz AILHMCCEUYWLPF-ONERCXAPSA-N 1 0 280.799 3.117 10 10 CGCERO Cc1ccc([C@H](C)[NH2+]Cc2cccc(O)c2O)s1 ZINC000049162055 525928245 /nfs/dbraw/zinc/92/82/45/525928245.db2.gz UQPUAQHUIVWREJ-JTQLQIEISA-N 1 0 263.362 3.319 10 10 CGCERO CC[C@](C)(O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000160429755 618042592 /nfs/dbraw/zinc/04/25/92/618042592.db2.gz SVZBYPKTBOGDIB-SFHVURJKSA-N 1 0 290.451 3.270 10 10 CGCERO CCC[C@@H]([NH3+])c1cc(Br)cc(C)c1O ZINC000095780863 619287661 /nfs/dbraw/zinc/28/76/61/619287661.db2.gz IPYVFCVBKOKANO-SNVBAGLBSA-N 1 0 258.159 3.263 10 10 CGCERO Cc1cccc(N)c1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306731375 346457378 /nfs/dbraw/zinc/45/73/78/346457378.db2.gz QRHMVGTZVBVTNW-INIZCTEOSA-N 1 0 281.403 3.264 10 10 CGCERO CC(C)(C)OC(=O)[C@H]1CCC2(C1)CCC([N+]#N)CC2 ZINC000584640881 346702849 /nfs/dbraw/zinc/70/28/49/346702849.db2.gz IAGQTCZTWFRIOU-NSHDSACASA-N 1 0 264.369 3.359 10 10 CGCERO Cc1cc(C[NH3+])c(C)n1-c1ccc(OC(F)(F)F)cc1 ZINC000034936140 368980512 /nfs/dbraw/zinc/98/05/12/368980512.db2.gz ZILBOLIOSMKZFO-UHFFFAOYSA-N 1 0 284.281 3.451 10 10 CGCERO Cc1ccc([C@@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)o1 ZINC000093865027 370165517 /nfs/dbraw/zinc/16/55/17/370165517.db2.gz KOPCYZDZADZOKJ-KRWDZBQOSA-N 1 0 287.359 3.176 10 10 CGCERO Cn1cc([C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])cn1 ZINC000180052938 373959638 /nfs/dbraw/zinc/95/96/38/373959638.db2.gz KEDKUUPWAWNHKZ-CQSZACIVSA-N 1 0 291.782 3.116 10 10 CGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1 ZINC000250077510 377548413 /nfs/dbraw/zinc/54/84/13/377548413.db2.gz OSHZCZKBLCLCEB-RCCFBDPRSA-N 1 0 288.435 3.190 10 10 CGCERO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438390 392237932 /nfs/dbraw/zinc/23/79/32/392237932.db2.gz AJQNCDFKIOQQGZ-OAHLLOKOSA-N 1 0 271.364 3.151 10 10 CGCERO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccncc1 ZINC000020121380 171000675 /nfs/dbraw/zinc/00/06/75/171000675.db2.gz WDBAASIVQJJFLE-JTQLQIEISA-N 1 0 262.740 3.291 10 10 CGCERO Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000020126132 171009756 /nfs/dbraw/zinc/00/97/56/171009756.db2.gz SDMJIQDLXWQFGX-GFCCVEGCSA-N 1 0 257.333 3.257 10 10 CGCERO CC(C)OCCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000020197953 171062050 /nfs/dbraw/zinc/06/20/50/171062050.db2.gz ALVGFVVTEMDJBV-UHFFFAOYSA-N 1 0 273.376 3.450 10 10 CGCERO Cc1ccc([C@H](C)[NH2+]Cc2ncccc2C)c(O)c1 ZINC000071339535 176129908 /nfs/dbraw/zinc/12/99/08/176129908.db2.gz KTTHGOZUZIQGLI-ZDUSSCGKSA-N 1 0 256.349 3.255 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 ZINC000248523422 329891251 /nfs/dbraw/zinc/89/12/51/329891251.db2.gz SMRXICIKOSKXSY-OJDYBEQGSA-N 1 0 275.392 3.165 10 10 CGCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cc(Cl)ccc1O ZINC000252001476 329939815 /nfs/dbraw/zinc/93/98/15/329939815.db2.gz WQGONMXUVQNPAB-XKFJNSEWSA-N 1 0 281.783 3.264 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCCN2CCC[C@H]2C1 ZINC000251301350 334359514 /nfs/dbraw/zinc/35/95/14/334359514.db2.gz TWOPCOLIONUUOK-GOEBONIOSA-N 1 0 274.408 3.013 10 10 CGCERO CCC[NH2+]Cc1ccc(N2CCSCC2)c(C)c1 ZINC000050560032 519951035 /nfs/dbraw/zinc/95/10/35/519951035.db2.gz HTGUJQVNHSNJMT-UHFFFAOYSA-N 1 0 264.438 3.048 10 10 CGCERO Oc1ccccc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000037074278 526374098 /nfs/dbraw/zinc/37/40/98/526374098.db2.gz JXOOWBAFTURLIQ-CQSZACIVSA-N 1 0 255.317 3.006 10 10 CGCERO COc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083550024 536708165 /nfs/dbraw/zinc/70/81/65/536708165.db2.gz ZQQFHOVWBLIKJF-DLBZAZTESA-N 1 0 276.424 3.154 10 10 CGCERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000164458334 622835885 /nfs/dbraw/zinc/83/58/85/622835885.db2.gz IXVDHMZFBUOCIC-KRWDZBQOSA-N 1 0 299.418 3.179 10 10 CGCERO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(O)ccc2ccccc21 ZINC000247091797 640710209 /nfs/dbraw/zinc/71/02/09/640710209.db2.gz NXFVVULWYJYJJI-ZBFHGGJFSA-N 1 0 296.414 3.214 10 10 CGCERO Cc1cc(O)c([C@@H]([NH3+])C(C)C)c(C)c1Br ZINC000095707155 640814407 /nfs/dbraw/zinc/81/44/07/640814407.db2.gz FPGNSDBWHMNTBH-LBPRGKRZSA-N 1 0 272.186 3.427 10 10 CGCERO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(Cl)ccc1O ZINC000251790180 640833924 /nfs/dbraw/zinc/83/39/24/640833924.db2.gz NJOSWIMXSOIGLE-WFASDCNBSA-N 1 0 294.826 3.104 10 10 CGCERO Cc1cc(C)c(O)c2c1C[C@@H](c1ccccc1)[C@H]2[NH3+] ZINC000026155620 368856105 /nfs/dbraw/zinc/85/61/05/368856105.db2.gz JHVNHBFPJSLMTF-GOEBONIOSA-N 1 0 253.345 3.349 10 10 CGCERO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1O ZINC000249185395 377474074 /nfs/dbraw/zinc/47/40/74/377474074.db2.gz NYOGYZDORHWYNQ-MJBXVCDLSA-N 1 0 281.783 3.011 10 10 CGCERO CCOc1ccc(N2C[C@H](CC)[NH2+]C[C@H]2C(C)C)cc1 ZINC000083549927 135029612 /nfs/dbraw/zinc/02/96/12/135029612.db2.gz BKSVZTNRFAXELT-YOEHRIQHSA-N 1 0 276.424 3.298 10 10 CGCERO COc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@H]2C(C)C)cc1 ZINC000083550026 135029732 /nfs/dbraw/zinc/02/97/32/135029732.db2.gz ZQQFHOVWBLIKJF-SJORKVTESA-N 1 0 276.424 3.154 10 10 CGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccccn1 ZINC000019957844 170941960 /nfs/dbraw/zinc/94/19/60/170941960.db2.gz FEYPWERBEQRGMT-TZMCWYRMSA-N 1 0 268.360 3.434 10 10 CGCERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccncc2)c(O)c1 ZINC000020121830 171001480 /nfs/dbraw/zinc/00/14/80/171001480.db2.gz FCHJPZPRPVLEAW-RYUDHWBXSA-N 1 0 272.348 3.208 10 10 CGCERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000035257288 172088180 /nfs/dbraw/zinc/08/81/80/172088180.db2.gz WKORMTAVZVTXQQ-UHFFFAOYSA-N 1 0 251.370 3.402 10 10 CGCERO C[NH2+]Cc1ccc(N(C)[C@@H](C)C(C)(C)C)c(F)c1 ZINC000042777142 174874342 /nfs/dbraw/zinc/87/43/42/174874342.db2.gz RVSRZXHGPUBOBS-NSHDSACASA-N 1 0 252.377 3.416 10 10 CGCERO C[C@@H]([NH3+])[C@@H](Sc1nccs1)c1cccc(F)c1 ZINC000042974802 174937891 /nfs/dbraw/zinc/93/78/91/174937891.db2.gz YQWBAJCKIRIENO-LDYMZIIASA-N 1 0 268.382 3.463 10 10 CGCERO CC[C@@H]([NH2+]Cc1ncccc1C)c1ccccc1O ZINC000071339312 176129672 /nfs/dbraw/zinc/12/96/72/176129672.db2.gz YSYRYOFLQHBLEL-CQSZACIVSA-N 1 0 256.349 3.337 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190331224 329395010 /nfs/dbraw/zinc/39/50/10/329395010.db2.gz OWLXQHMHDLPUBP-QGPMSJSTSA-N 1 0 283.371 3.203 10 10 CGCERO CC(C)C[NH2+]Cc1cc(F)c(N(C)C2CC2)c(F)c1 ZINC000062735120 519746819 /nfs/dbraw/zinc/74/68/19/519746819.db2.gz CZEVPPKDPUWJDX-UHFFFAOYSA-N 1 0 268.351 3.309 10 10 CGCERO CCC[NH2+]C[C@@H]1CCN(c2ccc(OCCC)cc2)C1 ZINC000053035085 519924210 /nfs/dbraw/zinc/92/42/10/519924210.db2.gz CDUTYVDXUUUFAC-HNNXBMFYSA-N 1 0 276.424 3.301 10 10 CGCERO CCN(c1c(F)cc(C[NH3+])cc1F)C1CCCC1 ZINC000062710708 521478451 /nfs/dbraw/zinc/47/84/51/521478451.db2.gz BLQQSUFQGBGTST-UHFFFAOYSA-N 1 0 254.324 3.192 10 10 CGCERO C[NH2+]Cc1cc(F)c(N(C)C2CCCCC2)c(F)c1 ZINC000062709492 522110828 /nfs/dbraw/zinc/11/08/28/522110828.db2.gz QONUQCPWTYCKHM-UHFFFAOYSA-N 1 0 268.351 3.453 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]CCCOCC1CC1 ZINC000020190503 526356456 /nfs/dbraw/zinc/35/64/56/526356456.db2.gz VJLRNJQOPBFBAL-UHFFFAOYSA-N 1 0 285.387 3.452 10 10 CGCERO CCO[C@H]1CCCN(c2ccc([C@H](C)[NH3+])cc2Cl)C1 ZINC000103964171 535622000 /nfs/dbraw/zinc/62/20/00/535622000.db2.gz ZYNDDAPHWWKEDW-AAEUAGOBSA-N 1 0 282.815 3.365 10 10 CGCERO COCC[NH2+][C@@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000020569995 344891807 /nfs/dbraw/zinc/89/18/07/344891807.db2.gz MFUFDHXPSZKSHX-KGLIPLIRSA-N 1 0 294.414 3.359 10 10 CGCERO CC[NH2+]Cc1c(Sc2nccs2)nc2ccccn21 ZINC000104290985 185956785 /nfs/dbraw/zinc/95/67/85/185956785.db2.gz RFMPDKWKPATEIS-UHFFFAOYSA-N 1 0 290.417 3.052 10 10 CGCERO [NH3+]CCc1cc(F)c(Sc2nccs2)c(F)c1 ZINC000104433355 186000119 /nfs/dbraw/zinc/00/01/19/186000119.db2.gz YGICLTLGIUAGLS-UHFFFAOYSA-N 1 0 272.345 3.074 10 10 CGCERO COc1cccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1O ZINC000092758110 370099795 /nfs/dbraw/zinc/09/97/95/370099795.db2.gz ZIPMHEDTSBPZQE-MRXNPFEDSA-N 1 0 298.386 3.087 10 10 CGCERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cc(F)ccc1O ZINC000281593168 379839228 /nfs/dbraw/zinc/83/92/28/379839228.db2.gz LSZZUSWZOCTJRK-YVECIDJPSA-N 1 0 281.371 3.386 10 10 CGCERO Cc1cccc(C[NH2+][C@H](CN(C)C)c2ccccc2)c1O ZINC000158083553 392555120 /nfs/dbraw/zinc/55/51/20/392555120.db2.gz QNXQVPMGIQVPDV-QGZVFWFLSA-N 1 0 284.403 3.093 10 10 CGCERO CCOc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@H]2CC)cc1 ZINC000083549729 135029468 /nfs/dbraw/zinc/02/94/68/135029468.db2.gz WCAWTMOABUQEGB-PBHICJAKSA-N 1 0 276.424 3.298 10 10 CGCERO C[C@@H]1C[C@@H](C)C[NH+](CCCOc2ccc(N)cc2)C1 ZINC000036671411 172648861 /nfs/dbraw/zinc/64/88/61/172648861.db2.gz GBAJAEWFECEENW-ZIAGYGMSSA-N 1 0 262.397 3.016 10 10 CGCERO C[NH2+][C@@H](C)c1ccc(N(C)Cc2cscn2)cc1 ZINC000042866372 174895194 /nfs/dbraw/zinc/89/51/94/174895194.db2.gz XRXROOQHZJGOMT-NSHDSACASA-N 1 0 261.394 3.060 10 10 CGCERO COc1cccc([C@H](Sc2nccs2)[C@H](C)[NH3+])c1 ZINC000043033007 174949105 /nfs/dbraw/zinc/94/91/05/174949105.db2.gz QDYDWKUSNQWBMV-JOYOIKCWSA-N 1 0 280.418 3.332 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 ZINC000248765429 329899050 /nfs/dbraw/zinc/89/90/50/329899050.db2.gz WWPUIRQYOUODPK-NSNWQYSKSA-N 1 0 287.403 3.309 10 10 CGCERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062747615 623266204 /nfs/dbraw/zinc/26/62/04/623266204.db2.gz DLEHUSPVYLQDQP-GXTWGEPZSA-N 1 0 282.403 3.158 10 10 CGCERO CC[C@H]1CO[C@@H](C)CN1c1ccc([C@H](C)[NH3+])cc1Cl ZINC000103964883 136553515 /nfs/dbraw/zinc/55/35/15/136553515.db2.gz MMKGTIVNJLGGNN-GVXVVHGQSA-N 1 0 282.815 3.363 10 10 CGCERO Cc1ccc(C)n1-c1ccccc1O[C@H](C)C[NH+](C)C ZINC000584620885 346695727 /nfs/dbraw/zinc/69/57/27/346695727.db2.gz MDVPBWCKGWBZFT-OAHLLOKOSA-N 1 0 272.392 3.423 10 10 CGCERO Cc1c(C)c2c(c(C[NH+](C)C)c1O)CCC(C)(C)O2 ZINC000584626161 346697549 /nfs/dbraw/zinc/69/75/49/346697549.db2.gz DROSSVGTGIOHFZ-UHFFFAOYSA-N 1 0 263.381 3.174 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@]12CCOC2 ZINC000311771936 374254967 /nfs/dbraw/zinc/25/49/67/374254967.db2.gz GPGPFIZROVECDB-GDBMZVCRSA-N 1 0 261.365 3.098 10 10 CGCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000248199587 377280342 /nfs/dbraw/zinc/28/03/42/377280342.db2.gz YEMQAFSMEWYGIL-WBQNTZJQSA-N 1 0 288.435 3.217 10 10 CGCERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000122934183 392424988 /nfs/dbraw/zinc/42/49/88/392424988.db2.gz RFYUYOQTBUDJQB-MRXNPFEDSA-N 1 0 299.418 3.297 10 10 CGCERO Cc1cccc(C[NH2+][C@@H]2CCOc3ccccc32)c1O ZINC000158065577 392553379 /nfs/dbraw/zinc/55/33/79/392553379.db2.gz MESXOABCUYJDIH-OAHLLOKOSA-N 1 0 269.344 3.314 10 10 CGCERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccncc2)c(O)c1 ZINC000020121832 171000979 /nfs/dbraw/zinc/00/09/79/171000979.db2.gz FCHJPZPRPVLEAW-NEPJUHHUSA-N 1 0 272.348 3.208 10 10 CGCERO COc1ccc([C@H](C)[NH2+][C@H](C)c2ccccn2)c(O)c1 ZINC000020123946 171005888 /nfs/dbraw/zinc/00/58/88/171005888.db2.gz DAUBBLHAZZRHJJ-NWDGAFQWSA-N 1 0 272.348 3.208 10 10 CGCERO Cc1cccc(C[NH2+][C@H](C)c2cc(O)ccc2O)c1 ZINC000020134152 171022220 /nfs/dbraw/zinc/02/22/20/171022220.db2.gz PDGDAZARHJRYNH-GFCCVEGCSA-N 1 0 257.333 3.257 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccco2)c1 ZINC000035738902 172392889 /nfs/dbraw/zinc/39/28/89/172392889.db2.gz XVIQKXHZXLDTKU-QWRGUYRKSA-N 1 0 261.321 3.406 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1O ZINC000248383517 329890780 /nfs/dbraw/zinc/89/07/80/329890780.db2.gz AJDGLFQDKHDILT-ZIEJDFEHSA-N 1 0 261.365 3.000 10 10 CGCERO C[NH2+]Cc1ccc(N(C)Cc2ccoc2C)c(C)c1 ZINC000050561203 522120827 /nfs/dbraw/zinc/12/08/27/522120827.db2.gz OBTQXUNNBWSCGK-UHFFFAOYSA-N 1 0 258.365 3.252 10 10 CGCERO COc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1C ZINC000070070208 524093855 /nfs/dbraw/zinc/09/38/55/524093855.db2.gz FHWNOMGKWZQQJS-HNNXBMFYSA-N 1 0 269.344 3.227 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N2CCC[C@@H](C)[C@H]2C)c(F)c1 ZINC000050565214 525027202 /nfs/dbraw/zinc/02/72/02/525027202.db2.gz DQIXIYZDORQGPN-IJLUTSLNSA-N 1 0 250.361 3.470 10 10 CGCERO Cc1ccc(O)c(C[NH2+][C@@H](CN(C)C)c2ccccc2)c1 ZINC000071406467 525352402 /nfs/dbraw/zinc/35/24/02/525352402.db2.gz MBHDANYSNMAEMR-KRWDZBQOSA-N 1 0 284.403 3.093 10 10 CGCERO CSCCC[NH2+]Cc1c(O)ccc2ccccc21 ZINC000069432979 525477583 /nfs/dbraw/zinc/47/75/83/525477583.db2.gz FNZHJXRUGWWDHG-UHFFFAOYSA-N 1 0 261.390 3.388 10 10 CGCERO N#[N+]CC(=O)c1ccc2cc(Br)ccc2c1 ZINC000113306200 534975016 /nfs/dbraw/zinc/97/50/16/534975016.db2.gz ISJYUEJSOYGOCH-UHFFFAOYSA-N 1 0 275.105 3.086 10 10 CGCERO COc1cc(Cl)cc([C@@H]([NH3+])c2ccccc2)c1O ZINC000757131704 617755170 /nfs/dbraw/zinc/75/51/70/617755170.db2.gz BXIIBXMCJINPNO-ZDUSSCGKSA-N 1 0 263.724 3.102 10 10 CGCERO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1cc(C)c(C)cc1O ZINC000248405670 619379983 /nfs/dbraw/zinc/37/99/83/619379983.db2.gz BBKFFZGIBMPQSY-SJORKVTESA-N 1 0 288.435 3.068 10 10 CGCERO Cc1cc(O)c(C[N@@H+]2CC[C@@H](Oc3cccnc3)C2)cc1C ZINC000124413461 370924505 /nfs/dbraw/zinc/92/45/05/370924505.db2.gz HIIGWYCQXPQNCJ-QGZVFWFLSA-N 1 0 298.386 3.057 10 10 CGCERO Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC000122965944 370908868 /nfs/dbraw/zinc/90/88/68/370908868.db2.gz NHZNSCVGNXDBNG-GOSISDBHSA-N 1 0 298.434 3.095 10 10 CGCERO CCC[NH+](CCC)C[C@@H]1CCc2cc(O)c(O)cc21 ZINC000029207465 368893464 /nfs/dbraw/zinc/89/34/64/368893464.db2.gz ZYSHQGSOYBDFDU-ZDUSSCGKSA-N 1 0 263.381 3.250 10 10 CGCERO COc1cccc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1O ZINC000093335280 370119175 /nfs/dbraw/zinc/11/91/75/370119175.db2.gz IPQLTKLTSRNHRY-CYBMUJFWSA-N 1 0 273.332 3.331 10 10 CGCERO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1n1ccnc1 ZINC000246460519 377034650 /nfs/dbraw/zinc/03/46/50/377034650.db2.gz OCJJORYFYOMFEH-MAUKXSAKSA-N 1 0 298.434 3.032 10 10 CGCERO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1 ZINC000092812835 392233067 /nfs/dbraw/zinc/23/30/67/392233067.db2.gz KFTVEPGTSUKSDW-OAHLLOKOSA-N 1 0 297.402 3.030 10 10 CGCERO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](CN)c1ccc(N(C)C)cc1 ZINC000039789103 174173063 /nfs/dbraw/zinc/17/30/63/174173063.db2.gz DMQOLRCIEMXWGH-JKIFEVAISA-N 1 0 275.440 3.015 10 10 CGCERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000122803613 267935632 /nfs/dbraw/zinc/93/56/32/267935632.db2.gz NJIBDYUYETUQIJ-INIZCTEOSA-N 1 0 299.418 3.388 10 10 CGCERO Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000179567286 329209807 /nfs/dbraw/zinc/20/98/07/329209807.db2.gz JCLZVBXDUMCDKS-CYBMUJFWSA-N 1 0 274.389 3.228 10 10 CGCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1ccccc1O ZINC000248395367 329887241 /nfs/dbraw/zinc/88/72/41/329887241.db2.gz YTGWFQBUDPOWEP-LBRJOISOSA-N 1 0 287.403 3.391 10 10 CGCERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000248199586 329888464 /nfs/dbraw/zinc/88/84/64/329888464.db2.gz YEMQAFSMEWYGIL-KKBVYLPWSA-N 1 0 288.435 3.217 10 10 CGCERO CC(C)N(CC1CC1)c1c(F)cc(C[NH3+])cc1F ZINC000062713440 519640556 /nfs/dbraw/zinc/64/05/56/519640556.db2.gz XXVBLNLRBIEFGC-UHFFFAOYSA-N 1 0 254.324 3.048 10 10 CGCERO C[NH2+]Cc1cc(F)c(N2C[C@H](C)C[C@@H](C)C2)c(F)c1 ZINC000062709577 522113342 /nfs/dbraw/zinc/11/33/42/522113342.db2.gz KIWFCYKELIMMDO-GHMZBOCLSA-N 1 0 268.351 3.167 10 10 CGCERO COc1cc(Cl)cc([C@H]([NH3+])c2ccccc2)c1O ZINC000757131683 617753549 /nfs/dbraw/zinc/75/35/49/617753549.db2.gz BXIIBXMCJINPNO-CYBMUJFWSA-N 1 0 263.724 3.102 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000186101536 625514023 /nfs/dbraw/zinc/51/40/23/625514023.db2.gz WKSQOWAFDBGFNY-OFQRWUPVSA-N 1 0 276.424 3.080 10 10 CGCERO C[C@H]([NH2+]Cc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000135459180 637132684 /nfs/dbraw/zinc/13/26/84/637132684.db2.gz LJNQRGBBJDKOLD-NSHDSACASA-N 1 0 272.304 3.151 10 10 CGCERO Cc1ccc(Br)c([C@@H]2CCCC[NH2+]2)c1O ZINC000218408437 346293196 /nfs/dbraw/zinc/29/31/96/346293196.db2.gz WDNVNUCQWDCAPN-JTQLQIEISA-N 1 0 270.170 3.278 10 10 CGCERO Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000122803423 370907384 /nfs/dbraw/zinc/90/73/84/370907384.db2.gz NJIBDYUYETUQIJ-MRXNPFEDSA-N 1 0 299.418 3.388 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@]12CCOC2 ZINC000311771944 374255747 /nfs/dbraw/zinc/25/57/47/374255747.db2.gz GPGPFIZROVECDB-GOEBONIOSA-N 1 0 261.365 3.098 10 10 CGCERO CC[N@H+](CCc1ccc(N)cc1)Cc1ccccc1 ZINC000020192075 171058225 /nfs/dbraw/zinc/05/82/25/171058225.db2.gz DWLLCSTUYFPOTM-UHFFFAOYSA-N 1 0 254.377 3.333 10 10 CGCERO CCN(CC)c1ccc([C@H](C[NH3+])N2CCCCC2)cc1 ZINC000039789123 174173205 /nfs/dbraw/zinc/17/32/05/174173205.db2.gz FENAADOOQJYEAW-KRWDZBQOSA-N 1 0 275.440 3.019 10 10 CGCERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000159034047 261176730 /nfs/dbraw/zinc/17/67/30/261176730.db2.gz FPAMOXGYGAWUPI-UONOGXRCSA-N 1 0 294.414 3.357 10 10 CGCERO Cc1ccc2c(c1)C=C/C(=C/c1cccc[n+]1C)N2C ZINC000000188639 281051066 /nfs/dbraw/zinc/05/10/66/281051066.db2.gz RNNOHKVSJKJIDA-UHFFFAOYSA-N 1 0 263.364 3.324 10 10 CGCERO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000180025352 329214638 /nfs/dbraw/zinc/21/46/38/329214638.db2.gz LPCLGMKWLOGCKO-INIZCTEOSA-N 1 0 286.350 3.218 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000185465916 329274052 /nfs/dbraw/zinc/27/40/52/329274052.db2.gz OKBXLWVURVHYTP-XZOAIXRZSA-N 1 0 283.371 3.010 10 10 CGCERO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1ccccc1O ZINC000248395365 329887324 /nfs/dbraw/zinc/88/73/24/329887324.db2.gz YTGWFQBUDPOWEP-GUDXXQAFSA-N 1 0 287.403 3.391 10 10 CGCERO CCCC1CC[NH+](CCOc2ccc(N)cc2)CC1 ZINC000050892847 519901674 /nfs/dbraw/zinc/90/16/74/519901674.db2.gz GMARPYRXCAYXHQ-UHFFFAOYSA-N 1 0 262.397 3.160 10 10 CGCERO CCC[NH2+][C@@H](C)c1ccc(N(C)CCOC)c(Cl)c1 ZINC000061696635 519989167 /nfs/dbraw/zinc/98/91/67/519989167.db2.gz RMBOXSGRFJIUOF-LBPRGKRZSA-N 1 0 284.831 3.483 10 10 CGCERO CC[C@H](CCO)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000094948901 522143459 /nfs/dbraw/zinc/14/34/59/522143459.db2.gz JKXCADFIXKQPIK-CYBMUJFWSA-N 1 0 273.376 3.044 10 10 CGCERO Cc1ccc(CN(C)c2ccc(C[NH3+])c(C)c2)cc1 ZINC000050581583 524401496 /nfs/dbraw/zinc/40/14/96/524401496.db2.gz QZJCDFMCIMEDES-UHFFFAOYSA-N 1 0 254.377 3.399 10 10 CGCERO Cc1cc(N(C)CC(F)(F)F)ccc1C[NH2+]C(C)C ZINC000050582661 525027771 /nfs/dbraw/zinc/02/77/71/525027771.db2.gz DLUOKRIJVOVBRG-UHFFFAOYSA-N 1 0 274.330 3.492 10 10 CGCERO Cc1cc(O)c([C@@H]2CCC[NH2+]2)c(C)c1Br ZINC000218402514 346293318 /nfs/dbraw/zinc/29/33/18/346293318.db2.gz XNNIGHIZUSOKJO-VIFPVBQESA-N 1 0 270.170 3.196 10 10 CGCERO CCC[NH+](CCC)C[C@H]1CCc2c1ccc(O)c2O ZINC000029209054 368893312 /nfs/dbraw/zinc/89/33/12/368893312.db2.gz VFMWRAMNGHDSBN-GFCCVEGCSA-N 1 0 263.381 3.250 10 10 CGCERO CCC[NH+](CCC)C[C@@H]1CCc2c1ccc(O)c2O ZINC000029209049 368893349 /nfs/dbraw/zinc/89/33/49/368893349.db2.gz VFMWRAMNGHDSBN-LBPRGKRZSA-N 1 0 263.381 3.250 10 10 CGCERO CCC[NH+](CCC)[C@H]1CCc2ccc(O)c(O)c2C1 ZINC000026019905 368854313 /nfs/dbraw/zinc/85/43/13/368854313.db2.gz KWJJIKPCJFZUOA-ZDUSSCGKSA-N 1 0 263.381 3.077 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c1 ZINC000248483720 377331113 /nfs/dbraw/zinc/33/11/13/377331113.db2.gz CXGHDKAFHVDVLV-CQPIRRRNSA-N 1 0 291.391 3.009 10 10 CGCERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccccn2)c(O)c1 ZINC000020123943 171005934 /nfs/dbraw/zinc/00/59/34/171005934.db2.gz DAUBBLHAZZRHJJ-NEPJUHHUSA-N 1 0 272.348 3.208 10 10 CGCERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccco2)c(O)c1 ZINC000035738601 172391567 /nfs/dbraw/zinc/39/15/67/172391567.db2.gz BOUKBOYWZAJJLK-MNOVXSKESA-N 1 0 261.321 3.406 10 10 CGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]Cc1ccnc(C)n1 ZINC000038037456 174038143 /nfs/dbraw/zinc/03/81/43/174038143.db2.gz HPSHJQALPIUYQV-SMDDNHRTSA-N 1 0 283.375 3.137 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1O ZINC000156716601 261129815 /nfs/dbraw/zinc/12/98/15/261129815.db2.gz SMJKEUVCKLFZCI-CWRNSKLLSA-N 1 0 276.424 3.162 10 10 CGCERO CCC[NH+](CCC)[C@H]1CCc2cc(O)c(O)cc2C1 ZINC000005833106 278782550 /nfs/dbraw/zinc/78/25/50/278782550.db2.gz YNJJGTRJAAGQAD-AWEZNQCLSA-N 1 0 263.381 3.077 10 10 CGCERO Oc1ccccc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000179566667 329209919 /nfs/dbraw/zinc/20/99/19/329209919.db2.gz ZLPYPNNZEGDKNY-MRXNPFEDSA-N 1 0 268.360 3.079 10 10 CGCERO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000180029559 329214577 /nfs/dbraw/zinc/21/45/77/329214577.db2.gz JWMXQDHVAMMOAC-LLVKDONJSA-N 1 0 292.379 3.367 10 10 CGCERO CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000187026599 329351541 /nfs/dbraw/zinc/35/15/41/329351541.db2.gz OSHZCZKBLCLCEB-KURKYZTESA-N 1 0 288.435 3.190 10 10 CGCERO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1O ZINC000248548187 329891692 /nfs/dbraw/zinc/89/16/92/329891692.db2.gz GPLNKSZDIANEAR-XJNFMUPTSA-N 1 0 287.403 3.391 10 10 CGCERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccccc1O ZINC000248923779 329902500 /nfs/dbraw/zinc/90/25/00/329902500.db2.gz WXAGJGFVKDYSNM-DETPVDSQSA-N 1 0 261.365 3.000 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1O ZINC000229565221 333306238 /nfs/dbraw/zinc/30/62/38/333306238.db2.gz NFXPBMABKCAQBJ-SQWLQELKSA-N 1 0 261.365 3.000 10 10 CGCERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Br)cc1O ZINC000134918231 334108425 /nfs/dbraw/zinc/10/84/25/334108425.db2.gz XJFDHZQVHFAOCN-FYBVGQRMSA-N 1 0 270.170 3.214 10 10 CGCERO CC[C@@](C)(O)C[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000160429901 618042615 /nfs/dbraw/zinc/04/26/15/618042615.db2.gz SVZBYPKTBOGDIB-GOSISDBHSA-N 1 0 290.451 3.270 10 10 CGCERO CC[C@@H]([NH3+])c1c(C)c(Br)c(C)cc1O ZINC000095717459 619726464 /nfs/dbraw/zinc/72/64/64/619726464.db2.gz ULDGWBVQBJJFLC-MRVPVSSYSA-N 1 0 258.159 3.181 10 10 CGCERO C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(F)c2[O-])C1 ZINC000226586192 622986453 /nfs/dbraw/zinc/98/64/53/622986453.db2.gz YEYVWFVTMVSNAG-RYUDHWBXSA-N 1 0 251.345 3.447 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000247205310 640713457 /nfs/dbraw/zinc/71/34/57/640713457.db2.gz WPSGTQVEANDIMN-GRDNDAEWSA-N 1 0 276.424 3.361 10 10 CGCERO COCCC[NH2+][C@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020550905 368808942 /nfs/dbraw/zinc/80/89/42/368808942.db2.gz LCUYOBWDKUQOGQ-CYBMUJFWSA-N 1 0 280.387 3.113 10 10 CGCERO Oc1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000245598866 376864718 /nfs/dbraw/zinc/86/47/18/376864718.db2.gz JMVBIJNOGTVQCN-GDBMZVCRSA-N 1 0 287.359 3.073 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c(O)c1 ZINC000248498113 377330105 /nfs/dbraw/zinc/33/01/05/377330105.db2.gz MCIFFHNQRQJBDW-MKVSYHDVSA-N 1 0 275.392 3.309 10 10 CGCERO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccccc1O ZINC000251990740 377607276 /nfs/dbraw/zinc/60/72/76/377607276.db2.gz VYSOSTKMIPCECE-TTZDDIAXSA-N 1 0 261.365 3.000 10 10 CGCERO COCCC[NH2+][C@@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020550903 256809877 /nfs/dbraw/zinc/80/98/77/256809877.db2.gz LCUYOBWDKUQOGQ-ZDUSSCGKSA-N 1 0 280.387 3.113 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000133471949 392463613 /nfs/dbraw/zinc/46/36/13/392463613.db2.gz BXAMRXCSZDJDHQ-VYDXJSESSA-N 1 0 275.392 3.487 10 10 CGCERO Oc1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1O ZINC000020122544 171002801 /nfs/dbraw/zinc/00/28/01/171002801.db2.gz ULOSDFZHAALVHU-UHFFFAOYSA-N 1 0 277.751 3.084 10 10 CGCERO CCN(Cc1cccc(C)c1)c1ccc(C[NH3+])cc1 ZINC000034654413 171848497 /nfs/dbraw/zinc/84/84/97/171848497.db2.gz AUOLCYQYUDVWRK-UHFFFAOYSA-N 1 0 254.377 3.480 10 10 CGCERO COc1ccc([C@H](Sc2nccs2)[C@H](C)[NH3+])cc1 ZINC000042965196 174928935 /nfs/dbraw/zinc/92/89/35/174928935.db2.gz XMSFDNOUAGHTKG-JOYOIKCWSA-N 1 0 280.418 3.332 10 10 CGCERO C[C@H]([NH3+])[C@@H](Sc1nccs1)c1ccccc1F ZINC000043050290 174958270 /nfs/dbraw/zinc/95/82/70/174958270.db2.gz LRYBILQHPHRUCY-GZMMTYOYSA-N 1 0 268.382 3.463 10 10 CGCERO Cc1ccc([C@H]2C[N@H+](Cc3cccc(C)c3O)CCO2)o1 ZINC000180643112 329221628 /nfs/dbraw/zinc/22/16/28/329221628.db2.gz IVSZNNAGBXXHSV-MRXNPFEDSA-N 1 0 287.359 3.176 10 10 CGCERO Cc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccccc1O ZINC000188948942 329375880 /nfs/dbraw/zinc/37/58/80/329375880.db2.gz ONDXKSAIPUTDRZ-HNNXBMFYSA-N 1 0 269.344 3.314 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1 ZINC000252060935 329937736 /nfs/dbraw/zinc/93/77/36/329937736.db2.gz ZVWIHWIPPJKDIP-RUGDWHBFSA-N 1 0 288.435 3.361 10 10 CGCERO CCOc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1O ZINC000070070165 521373043 /nfs/dbraw/zinc/37/30/43/521373043.db2.gz MQXASKIQGZAYBW-CQSZACIVSA-N 1 0 285.343 3.014 10 10 CGCERO CCCN(C)c1c(F)cc(C[NH2+]C2CC2)cc1F ZINC000062710306 521513501 /nfs/dbraw/zinc/51/35/01/521513501.db2.gz OTBLRFGRYHEVRV-UHFFFAOYSA-N 1 0 254.324 3.063 10 10 CGCERO CN(C)C1(C[NH2+]Cc2c(O)ccc3ccccc32)CCC1 ZINC000097929300 524037354 /nfs/dbraw/zinc/03/73/54/524037354.db2.gz KTAVWJJFOPHLNC-UHFFFAOYSA-N 1 0 284.403 3.119 10 10 CGCERO COc1ccc(N2CC[C@H](C[NH2+]C(C)C)C2)cc1Cl ZINC000053011790 524440006 /nfs/dbraw/zinc/44/00/06/524440006.db2.gz BODINJHFFZMYES-GFCCVEGCSA-N 1 0 282.815 3.173 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N2C[C@H](C)OC(C)(C)C2)c(Cl)c1 ZINC000061698040 525029255 /nfs/dbraw/zinc/02/92/55/525029255.db2.gz KBFVAEVYHHBDBS-WDEREUQCSA-N 1 0 282.815 3.363 10 10 CGCERO C[C@H]([NH2+]Cc1ccccc1O)c1ccc2c(c1)OCCO2 ZINC000037062103 525463556 /nfs/dbraw/zinc/46/35/56/525463556.db2.gz DCUIPGXNWWETBC-LBPRGKRZSA-N 1 0 285.343 3.014 10 10 CGCERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O)cc2O)s1 ZINC000049158013 525732782 /nfs/dbraw/zinc/73/27/82/525732782.db2.gz QTJUVMFCSQZOBL-SNVBAGLBSA-N 1 0 263.362 3.319 10 10 CGCERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O)c(O)c2)s1 ZINC000049157864 525734371 /nfs/dbraw/zinc/73/43/71/525734371.db2.gz BWJVVEOSNNJSPW-SNVBAGLBSA-N 1 0 263.362 3.319 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000152863773 623727029 /nfs/dbraw/zinc/72/70/29/623727029.db2.gz WPSGTQVEANDIMN-ZQIUZPCESA-N 1 0 276.424 3.361 10 10 CGCERO Cc1cc(O)c(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1C ZINC000093438121 392238127 /nfs/dbraw/zinc/23/81/27/392238127.db2.gz PLUXSCLLECANSF-MRXNPFEDSA-N 1 0 285.391 3.459 10 10 CGCERO C[NH2+]Cc1ccc(N2C[C@@H](C)C[C@H](C)C2)c(F)c1 ZINC000034823996 134782180 /nfs/dbraw/zinc/78/21/80/134782180.db2.gz WVHHHGWQHZIAJR-RYUDHWBXSA-N 1 0 250.361 3.027 10 10 CGCERO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)c1 ZINC000020092388 170991901 /nfs/dbraw/zinc/99/19/01/170991901.db2.gz FAKCQOFIIMTOPJ-HUBLWGQQSA-N 1 0 263.381 3.315 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]Cc1cccnc1 ZINC000020140710 171028020 /nfs/dbraw/zinc/02/80/20/171028020.db2.gz NSVCPCNPMYNXIJ-UHFFFAOYSA-N 1 0 264.328 3.230 10 10 CGCERO CC(C)CN(C)c1ccc(C[NH2+]C(C)C)cc1F ZINC000034824973 171879429 /nfs/dbraw/zinc/87/94/29/171879429.db2.gz YSCFILFOENFOML-UHFFFAOYSA-N 1 0 252.377 3.416 10 10 CGCERO C[NH2+]Cc1ccc(N(C)Cc2cccs2)c(F)c1 ZINC000035718026 172372136 /nfs/dbraw/zinc/37/21/36/172372136.db2.gz QOLPVUHTNOWRDK-UHFFFAOYSA-N 1 0 264.369 3.243 10 10 CGCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc(N(C)C)cc1 ZINC000248199585 329888533 /nfs/dbraw/zinc/88/85/33/329888533.db2.gz YEMQAFSMEWYGIL-DXEWXGHRSA-N 1 0 288.435 3.217 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1O ZINC000248385175 329890652 /nfs/dbraw/zinc/89/06/52/329890652.db2.gz HLZPOMGJZWOGPV-NUEKZKHPSA-N 1 0 285.391 3.423 10 10 CGCERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccc2ccccc2c1O ZINC000249723480 334339277 /nfs/dbraw/zinc/33/92/77/334339277.db2.gz DXUPSTFYOZFZQZ-AFAVFJNCSA-N 1 0 285.387 3.500 10 10 CGCERO CC[NH2+]Cc1cc(F)c(N2CCC(C)CC2)c(F)c1 ZINC000062708921 519993994 /nfs/dbraw/zinc/99/39/94/519993994.db2.gz PZPYXFRFWXVEFT-UHFFFAOYSA-N 1 0 268.351 3.311 10 10 CGCERO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)c1 ZINC000164141042 622817907 /nfs/dbraw/zinc/81/79/07/622817907.db2.gz PSQPTJVYUZQVJY-HOTGVXAUSA-N 1 0 275.392 3.152 10 10 CGCERO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(O)ccc2ccccc21 ZINC000153221319 623828178 /nfs/dbraw/zinc/82/81/78/623828178.db2.gz NXFVVULWYJYJJI-GOEBONIOSA-N 1 0 296.414 3.214 10 10 CGCERO Cc1cccc(N)c1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000306731377 346457040 /nfs/dbraw/zinc/45/70/40/346457040.db2.gz QRHMVGTZVBVTNW-MRXNPFEDSA-N 1 0 281.403 3.264 10 10 CGCERO C[C@H]([NH3+])c1ccc(N(C)CC2CCOCC2)c(Cl)c1 ZINC000104197302 185926537 /nfs/dbraw/zinc/92/65/37/185926537.db2.gz YEHUWFGOJXPGSH-NSHDSACASA-N 1 0 282.815 3.223 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCC2(C1)CCOCC2 ZINC000370213799 378994520 /nfs/dbraw/zinc/99/45/20/378994520.db2.gz XMBNMHUQNCUGKI-HNNXBMFYSA-N 1 0 275.392 3.346 10 10 CGCERO C[C@@H]1C[C@@H](C[NH2+]Cc2c(O)cccc2Cl)C[C@H](C)O1 ZINC000282321782 379897211 /nfs/dbraw/zinc/89/72/11/379897211.db2.gz TVLNATQUMSKGPG-ZSBIGDGJSA-N 1 0 283.799 3.339 10 10 CGCERO CCC[NH2+]Cc1ccc(N2CCC[C@@H]2C)c(F)c1 ZINC000037911784 173844900 /nfs/dbraw/zinc/84/49/00/173844900.db2.gz AHFROYPUZQZZSO-LBPRGKRZSA-N 1 0 250.361 3.314 10 10 CGCERO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)[C@@H]1CCCO1 ZINC000185001103 262036931 /nfs/dbraw/zinc/03/69/31/262036931.db2.gz UYPZCRHSQAOCSB-RBZYPMLTSA-N 1 0 269.772 3.264 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCC[C@H](OC)CC1 ZINC000368030802 267138588 /nfs/dbraw/zinc/13/85/88/267138588.db2.gz PPAPNTBAZIJCEW-DZGCQCFKSA-N 1 0 263.381 3.344 10 10 CGCERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(Br)ccc1O ZINC000134917547 334108458 /nfs/dbraw/zinc/10/84/58/334108458.db2.gz UCXGGKAUKDHSFH-FYBVGQRMSA-N 1 0 270.170 3.214 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000251169384 334357673 /nfs/dbraw/zinc/35/76/73/334357673.db2.gz BKJWLSZIRUWAHA-IJEWVQPXSA-N 1 0 274.408 3.012 10 10 CGCERO CCCCN(C)c1c(F)cc(C[NH2+]CC)cc1F ZINC000062709305 520433509 /nfs/dbraw/zinc/43/35/09/520433509.db2.gz CZKKVWFKYIGXMR-UHFFFAOYSA-N 1 0 256.340 3.311 10 10 CGCERO C[C@H]([NH3+])c1ccc(N(C)Cc2cscn2)c(Cl)c1 ZINC000061697959 524864171 /nfs/dbraw/zinc/86/41/71/524864171.db2.gz AVOAGLIENBBBLG-VIFPVBQESA-N 1 0 281.812 3.453 10 10 CGCERO Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(N(C)C)cc3)C2)c1 ZINC000122966137 370908762 /nfs/dbraw/zinc/90/87/62/370908762.db2.gz NHZNSCVGNXDBNG-SFHVURJKSA-N 1 0 298.434 3.095 10 10 CGCERO Oc1ccccc1C[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000179584672 373890932 /nfs/dbraw/zinc/89/09/32/373890932.db2.gz BUVCKSMXHWFCGR-IEBWSBKVSA-N 1 0 297.398 3.480 10 10 CGCERO CC[C@H]([NH2+][C@H]1c2ccccc2C[C@H]1O)c1ccccc1O ZINC000248549972 377345498 /nfs/dbraw/zinc/34/54/98/377345498.db2.gz HPSWWFAKVXVDPH-JQHSSLGASA-N 1 0 283.371 3.091 10 10 CGCERO CC(C)[NH2+][C@@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020549718 171246644 /nfs/dbraw/zinc/24/66/44/171246644.db2.gz ZVGPXVNUTLIVEI-LBPRGKRZSA-N 1 0 250.361 3.485 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccco2)c1 ZINC000035738903 172392679 /nfs/dbraw/zinc/39/26/79/172392679.db2.gz XVIQKXHZXLDTKU-WDEREUQCSA-N 1 0 261.321 3.406 10 10 CGCERO CN(Cc1ccc(Cl)cc1)c1ccc(C[NH3+])cc1 ZINC000044382836 175169708 /nfs/dbraw/zinc/16/97/08/175169708.db2.gz NXGGGVAFLQGXFP-UHFFFAOYSA-N 1 0 260.768 3.435 10 10 CGCERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3O)C2)c1 ZINC000152909270 261071136 /nfs/dbraw/zinc/07/11/36/261071136.db2.gz LFVXOBROPHNUQY-QGZVFWFLSA-N 1 0 299.418 3.351 10 10 CGCERO COc1ccc(O)c([C@@H](C)Nc2cccnc2C)c1 ZINC000091495509 327102626 /nfs/dbraw/zinc/10/26/26/327102626.db2.gz MYGMIMHCRQSSKX-SNVBAGLBSA-N 1 0 258.321 3.277 10 10 CGCERO CCc1nccn1[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180138400 329217773 /nfs/dbraw/zinc/21/77/73/329217773.db2.gz OVGRFVQRCANMOX-INIZCTEOSA-N 1 0 299.418 3.297 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(N(C)C)cc1 ZINC000247041048 329875066 /nfs/dbraw/zinc/87/50/66/329875066.db2.gz LTRNEOTWDMDEAY-LIRZEXBASA-N 1 0 288.435 3.361 10 10 CGCERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(N(C)C)cc1 ZINC000248852078 329900776 /nfs/dbraw/zinc/90/07/76/329900776.db2.gz OWKATSZWVAWCSD-QANKJYHBSA-N 1 0 288.435 3.361 10 10 CGCERO C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cccc(F)c1[O-] ZINC000165015349 331305583 /nfs/dbraw/zinc/30/55/83/331305583.db2.gz OUHIMRAYMIPMOJ-GFCCVEGCSA-N 1 0 289.350 3.348 10 10 CGCERO COc1ccc(O)c(C[N@@H+]2CCCC23CCCC3)c1 ZINC000378349063 534199751 /nfs/dbraw/zinc/19/97/51/534199751.db2.gz IOKZVEOIVNOKGV-UHFFFAOYSA-N 1 0 261.365 3.309 10 10 CGCERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O)cc2O)s1 ZINC000049158017 525927103 /nfs/dbraw/zinc/92/71/03/525927103.db2.gz QTJUVMFCSQZOBL-JTQLQIEISA-N 1 0 263.362 3.319 10 10 CGCERO Cc1cc(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@@H]32)cc1C ZINC000048621673 619513325 /nfs/dbraw/zinc/51/33/25/619513325.db2.gz PYHIMYFEIINFQW-RDJZCZTQSA-N 1 0 275.392 3.152 10 10 CGCERO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1C ZINC000048621674 619513422 /nfs/dbraw/zinc/51/34/22/619513422.db2.gz PYHIMYFEIINFQW-DOTOQJQBSA-N 1 0 275.392 3.152 10 10 CGCERO CN(C)c1ccc([C@H]([NH3+])C(C)(C)C(=O)OC(C)(C)C)cc1 ZINC000536959832 346650648 /nfs/dbraw/zinc/65/06/48/346650648.db2.gz VORYKLRZWXZDNO-AWEZNQCLSA-N 1 0 292.423 3.120 10 10 CGCERO C[NH2+]Cc1ccc(N(C)Cc2scnc2C)c(C)c1 ZINC000104431935 186000294 /nfs/dbraw/zinc/00/02/94/186000294.db2.gz HWZVTAAGCVTGLL-UHFFFAOYSA-N 1 0 275.421 3.116 10 10 CGCERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000296433800 373133676 /nfs/dbraw/zinc/13/36/76/373133676.db2.gz MEZKHUOTROWCGD-XFMPKHEZSA-N 1 0 275.392 3.173 10 10 CGCERO CCC[N@H+](Cc1ccc(N)cc1)Cc1ccccn1 ZINC000035364779 172154495 /nfs/dbraw/zinc/15/44/95/172154495.db2.gz QOYLOPCRKURZDZ-UHFFFAOYSA-N 1 0 255.365 3.076 10 10 CGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038044175 174051390 /nfs/dbraw/zinc/05/13/90/174051390.db2.gz INSUKWMSFMMYCH-MELADBBJSA-N 1 0 275.392 3.265 10 10 CGCERO C[NH2+]Cc1ccc(N(C)[C@H](C)C(C)(C)C)c(F)c1 ZINC000042777145 174874242 /nfs/dbraw/zinc/87/42/42/174874242.db2.gz RVSRZXHGPUBOBS-LLVKDONJSA-N 1 0 252.377 3.416 10 10 CGCERO COc1ccc(O)c(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000037074233 274114847 /nfs/dbraw/zinc/11/48/47/274114847.db2.gz SCHWYZCDAPZPLK-HNNXBMFYSA-N 1 0 285.343 3.014 10 10 CGCERO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccccc1O ZINC000229565230 333306228 /nfs/dbraw/zinc/30/62/28/333306228.db2.gz NFXPBMABKCAQBJ-OFQRWUPVSA-N 1 0 261.365 3.000 10 10 CGCERO CCC[NH2+]Cc1cc(F)c(N2CCC[C@H]2C)c(F)c1 ZINC000062711474 519948634 /nfs/dbraw/zinc/94/86/34/519948634.db2.gz LJNNZPXSEJWXPY-LLVKDONJSA-N 1 0 268.351 3.453 10 10 CGCERO CCC[NH2+]Cc1cc(F)c(N2CCC[C@@H]2C)c(F)c1 ZINC000062711470 519948963 /nfs/dbraw/zinc/94/89/63/519948963.db2.gz LJNNZPXSEJWXPY-NSHDSACASA-N 1 0 268.351 3.453 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N2C[C@@H](C)OC(C)(C)C2)c(Cl)c1 ZINC000061698039 525028224 /nfs/dbraw/zinc/02/82/24/525028224.db2.gz KBFVAEVYHHBDBS-GHMZBOCLSA-N 1 0 282.815 3.363 10 10 CGCERO CC(C)C[C@H]([NH3+])c1ccc(Br)cc1O ZINC000307512161 374148636 /nfs/dbraw/zinc/14/86/36/374148636.db2.gz XPNXZHLKKGXVLM-JTQLQIEISA-N 1 0 258.159 3.201 10 10 CGCERO COc1cccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1O ZINC000245768353 376905557 /nfs/dbraw/zinc/90/55/57/376905557.db2.gz RGJKEMJLBZWVGY-HIFRSBDPSA-N 1 0 293.432 3.261 10 10 CGCERO C[C@@H]1CC(C[NH2+]Cc2c(O)cccc2Cl)C[C@@H](C)O1 ZINC000282321757 379897062 /nfs/dbraw/zinc/89/70/62/379897062.db2.gz TVLNATQUMSKGPG-GHMZBOCLSA-N 1 0 283.799 3.339 10 10 CGCERO CCn1cc(C2CC[NH+](Cc3cc(C)ccc3O)CC2)cn1 ZINC000092809342 392232490 /nfs/dbraw/zinc/23/24/90/392232490.db2.gz FYQHLFTXTWEMKA-UHFFFAOYSA-N 1 0 299.418 3.297 10 10 CGCERO COc1ccc(O)c(C[NH2+][C@@H](C)c2cccc(F)c2)c1 ZINC000020148085 171036076 /nfs/dbraw/zinc/03/60/76/171036076.db2.gz WOLSZPUYQZTMSV-NSHDSACASA-N 1 0 275.323 3.391 10 10 CGCERO Nc1ccc(NC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020383080 171173424 /nfs/dbraw/zinc/17/34/24/171173424.db2.gz HAVOJRLBAZCFEF-UHFFFAOYSA-N 1 0 281.403 3.345 10 10 CGCERO C[NH2+][C@@H](C)c1ccc(N(C)Cc2ccco2)c(F)c1 ZINC000035702254 172370079 /nfs/dbraw/zinc/37/00/79/172370079.db2.gz MJDIAWAUDWINMK-NSHDSACASA-N 1 0 262.328 3.336 10 10 CGCERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O)cc2O)cc1 ZINC000037769889 173701911 /nfs/dbraw/zinc/70/19/11/173701911.db2.gz DVGZPLHSRCSBAK-LBPRGKRZSA-N 1 0 257.333 3.257 10 10 CGCERO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccc1O ZINC000248573215 329898409 /nfs/dbraw/zinc/89/84/09/329898409.db2.gz RYNOKULOAIBPEQ-OCVGTWLNSA-N 1 0 275.392 3.246 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCCN2CCC[C@@H]2C1 ZINC000134199149 334084116 /nfs/dbraw/zinc/08/41/16/334084116.db2.gz TWOPCOLIONUUOK-ZBFHGGJFSA-N 1 0 274.408 3.013 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000252883927 334398660 /nfs/dbraw/zinc/39/86/60/334398660.db2.gz VTRULABTGIUFGX-IAOVAPTHSA-N 1 0 276.424 3.097 10 10 CGCERO CC(C)C[NH2+]Cc1ccc(N(C)[C@@H]2CCSC2)cc1 ZINC000062735563 519747029 /nfs/dbraw/zinc/74/70/29/519747029.db2.gz GDSVIDOFWOTMAB-MRXNPFEDSA-N 1 0 278.465 3.374 10 10 CGCERO CCC[C@H]([NH3+])c1cc(Br)cc(C)c1O ZINC000095769627 619726784 /nfs/dbraw/zinc/72/67/84/619726784.db2.gz IPYVFCVBKOKANO-JTQLQIEISA-N 1 0 258.159 3.263 10 10 CGCERO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1c(O)ccc2ccccc21 ZINC000153221215 623827771 /nfs/dbraw/zinc/82/77/71/623827771.db2.gz NXFVVULWYJYJJI-GDBMZVCRSA-N 1 0 296.414 3.214 10 10 CGCERO Cc1cc(C[N@H+]2CC[C@H](N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000170843152 624648057 /nfs/dbraw/zinc/64/80/57/624648057.db2.gz HZQFIXVLBKCEEN-HNNXBMFYSA-N 1 0 290.451 3.134 10 10 CGCERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617577 640798446 /nfs/dbraw/zinc/79/84/46/640798446.db2.gz YMEOZJAZWSQVIE-OCCSQVGLSA-N 1 0 282.403 3.158 10 10 CGCERO Cc1ccc(C)n1-c1ccccc1OCCC[NH+](C)C ZINC000584621205 346695978 /nfs/dbraw/zinc/69/59/78/346695978.db2.gz QIYLVFRIKWIBLK-UHFFFAOYSA-N 1 0 272.392 3.425 10 10 CGCERO Cc1ncsc1CN(C)c1ccc([C@H](C)[NH3+])cc1 ZINC000104440922 186003373 /nfs/dbraw/zinc/00/33/73/186003373.db2.gz ALEBTXZJEBIHEO-JTQLQIEISA-N 1 0 261.394 3.108 10 10 CGCERO Oc1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000179584647 392704143 /nfs/dbraw/zinc/70/41/43/392704143.db2.gz BUVCKSMXHWFCGR-PKOBYXMFSA-N 1 0 297.398 3.480 10 10 CGCERO CCOc1ccc(N2C[C@@H](CC)[NH2+]C[C@H]2CC)cc1 ZINC000083457242 135023073 /nfs/dbraw/zinc/02/30/73/135023073.db2.gz UGPAQYXOILDLBR-ZIAGYGMSSA-N 1 0 262.397 3.052 10 10 CGCERO CC(C)[NH2+][C@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020549720 171246736 /nfs/dbraw/zinc/24/67/36/171246736.db2.gz ZVGPXVNUTLIVEI-GFCCVEGCSA-N 1 0 250.361 3.485 10 10 CGCERO CCC[NH2+][C@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020595285 171263993 /nfs/dbraw/zinc/26/39/93/171263993.db2.gz QWZSRGHBFGZFTP-GFCCVEGCSA-N 1 0 250.361 3.487 10 10 CGCERO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000152889150 261071193 /nfs/dbraw/zinc/07/11/93/261071193.db2.gz NCNMVIMVLXEQRH-COXVUDFISA-N 1 0 276.424 3.361 10 10 CGCERO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1O ZINC000248548183 329891688 /nfs/dbraw/zinc/89/16/88/329891688.db2.gz GPLNKSZDIANEAR-WTTBNOFXSA-N 1 0 287.403 3.391 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000133949336 334074794 /nfs/dbraw/zinc/07/47/94/334074794.db2.gz NUNDAIQLBRAJFD-GOEBONIOSA-N 1 0 274.408 3.013 10 10 CGCERO CC[NH2+]Cc1ccc(N2CCCSCC2)c(C)c1 ZINC000050561112 519997637 /nfs/dbraw/zinc/99/76/37/519997637.db2.gz RYWKJBPITJAIKC-UHFFFAOYSA-N 1 0 264.438 3.048 10 10 CGCERO C[NH2+][C@H](C)c1ccc(N(C)C[C@@H]2CCCO2)c(Cl)c1 ZINC000061696712 522447944 /nfs/dbraw/zinc/44/79/44/522447944.db2.gz NGGQYNZYKJVNLS-YPMHNXCESA-N 1 0 282.815 3.236 10 10 CGCERO CC[C@H]([NH2+]Cc1cccc(O)c1O)c1cccs1 ZINC000049529648 522655333 /nfs/dbraw/zinc/65/53/33/522655333.db2.gz JZOMPPXSNHOFPY-NSHDSACASA-N 1 0 263.362 3.400 10 10 CGCERO C[C@@H]1CCCN(c2ccc(C[NH3+])c(Cl)c2)[C@@H]1C ZINC000061846368 524246804 /nfs/dbraw/zinc/24/68/04/524246804.db2.gz JXZZEWAPZLSDMU-GHMZBOCLSA-N 1 0 252.789 3.424 10 10 CGCERO Cc1cc(C[NH2+]C(C)C)ccc1N(C)CC(F)(F)F ZINC000050560666 524751051 /nfs/dbraw/zinc/75/10/51/524751051.db2.gz OIFDGCOKOMUYJR-UHFFFAOYSA-N 1 0 274.330 3.492 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2cccnc2)c(Cl)c1 ZINC000061695258 525026063 /nfs/dbraw/zinc/02/60/63/525026063.db2.gz KRMFHNOIBQCPIS-LLVKDONJSA-N 1 0 275.783 3.391 10 10 CGCERO Cc1cc(N2C[C@H]3CC[C@@H]2C3)ccc1C[NH2+]C(C)C ZINC000050583976 525098605 /nfs/dbraw/zinc/09/86/05/525098605.db2.gz ZZRBLNMFCSGDHV-WMLDXEAASA-N 1 0 258.409 3.482 10 10 CGCERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617578 619285617 /nfs/dbraw/zinc/28/56/17/619285617.db2.gz YMEOZJAZWSQVIE-TZMCWYRMSA-N 1 0 282.403 3.158 10 10 CGCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@H]1c1ccco1)OCO2 ZINC000116256621 370554108 /nfs/dbraw/zinc/55/41/08/370554108.db2.gz OHSOMRBDNBGQTK-LBPRGKRZSA-N 1 0 287.315 3.051 10 10 CGCERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2[O-])cn1 ZINC000180052920 373959450 /nfs/dbraw/zinc/95/94/50/373959450.db2.gz KEDKUUPWAWNHKZ-AWEZNQCLSA-N 1 0 291.782 3.116 10 10 CGCERO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1O ZINC000248395366 377305546 /nfs/dbraw/zinc/30/55/46/377305546.db2.gz YTGWFQBUDPOWEP-JFOHDYCDSA-N 1 0 287.403 3.391 10 10 CGCERO COCC[NH2+][C@@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1 ZINC000253495323 377695511 /nfs/dbraw/zinc/69/55/11/377695511.db2.gz MFUFDHXPSZKSHX-KBPBESRZSA-N 1 0 294.414 3.359 10 10 CGCERO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)c1 ZINC000092812836 392232211 /nfs/dbraw/zinc/23/22/11/392232211.db2.gz KFTVEPGTSUKSDW-HNNXBMFYSA-N 1 0 297.402 3.030 10 10 CGCERO Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179567700 392704592 /nfs/dbraw/zinc/70/45/92/392704592.db2.gz XJIVBLCJRWEAGN-HNNXBMFYSA-N 1 0 297.402 3.030 10 10 CGCERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)c1ccccc1O ZINC000020129332 171017363 /nfs/dbraw/zinc/01/73/63/171017363.db2.gz XIRDCARCYJDNQR-PBHICJAKSA-N 1 0 284.403 3.346 10 10 CGCERO COc1ccc([C@H](C)[NH2+]Cc2cccs2)c(O)c1 ZINC000020139637 171026835 /nfs/dbraw/zinc/02/68/35/171026835.db2.gz YPJGNBRKYNEXRN-JTQLQIEISA-N 1 0 263.362 3.313 10 10 CGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccco2)c1 ZINC000035738904 172392603 /nfs/dbraw/zinc/39/26/03/172392603.db2.gz XVIQKXHZXLDTKU-MNOVXSKESA-N 1 0 261.321 3.406 10 10 CGCERO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000180138129 329217742 /nfs/dbraw/zinc/21/77/42/329217742.db2.gz QUOCWKWVELOCQX-CYBMUJFWSA-N 1 0 261.296 3.461 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c1 ZINC000185465952 329274016 /nfs/dbraw/zinc/27/40/16/329274016.db2.gz OKBXLWVURVHYTP-IWEFOYFVSA-N 1 0 283.371 3.010 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000248489031 329894641 /nfs/dbraw/zinc/89/46/41/329894641.db2.gz HDADHRVGFRBFOZ-SHFYGJNESA-N 1 0 275.392 3.309 10 10 CGCERO CC(C)C[NH2+]Cc1ccc(N(C)[C@H]2CCSC2)cc1 ZINC000062735564 519747249 /nfs/dbraw/zinc/74/72/49/519747249.db2.gz GDSVIDOFWOTMAB-INIZCTEOSA-N 1 0 278.465 3.374 10 10 CGCERO C[C@@H]1CN(c2ccc(C[NH2+]C(C)(C)C)cc2)C[C@H](C)O1 ZINC000062734296 525065652 /nfs/dbraw/zinc/06/56/52/525065652.db2.gz ILWVEFSFDPUCFP-OKILXGFUSA-N 1 0 276.424 3.188 10 10 CGCERO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(Cl)ccc1O ZINC000211722702 636175745 /nfs/dbraw/zinc/17/57/45/636175745.db2.gz NJOSWIMXSOIGLE-IUODEOHRSA-N 1 0 294.826 3.104 10 10 CGCERO C[NH2+][C@@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572041 368808821 /nfs/dbraw/zinc/80/88/21/368808821.db2.gz OKGDITSVTCRMJI-LBPRGKRZSA-N 1 0 250.361 3.342 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)c1 ZINC000248491093 377331415 /nfs/dbraw/zinc/33/14/15/377331415.db2.gz INYOIWVPNVTLCK-RZAIGCCYSA-N 1 0 283.371 3.010 10 10 CGCERO [NH3+][C@H](CCF)c1ccc(OCc2ccccc2)cc1O ZINC000575438048 377909759 /nfs/dbraw/zinc/90/97/59/377909759.db2.gz CWLYPVWOTJNXAU-OAHLLOKOSA-N 1 0 275.323 3.331 10 10 CGCERO COc1cccc(C[NH2+][C@@H](C)c2cccs2)c1O ZINC000020148292 171036334 /nfs/dbraw/zinc/03/63/34/171036334.db2.gz VKVURQHJJMAKFW-JTQLQIEISA-N 1 0 263.362 3.313 10 10 CGCERO CCC[NH2+][C@@H](C)c1ccc(N2CCCC2)c(F)c1 ZINC000020595283 171263913 /nfs/dbraw/zinc/26/39/13/171263913.db2.gz QWZSRGHBFGZFTP-LBPRGKRZSA-N 1 0 250.361 3.487 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]Cc1ccco1 ZINC000022221736 171378180 /nfs/dbraw/zinc/37/81/80/171378180.db2.gz GTMLPDWEANEJDY-UHFFFAOYSA-N 1 0 253.301 3.428 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)c(O)c1 ZINC000185466414 329273941 /nfs/dbraw/zinc/27/39/41/329273941.db2.gz YRCWWZITMZOFDK-IWEFOYFVSA-N 1 0 283.371 3.010 10 10 CGCERO COc1cccc([C@H](C)[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000165021573 331305570 /nfs/dbraw/zinc/30/55/70/331305570.db2.gz HHWSTCHDVCSNJT-NSHDSACASA-N 1 0 275.323 3.391 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000133949140 334074714 /nfs/dbraw/zinc/07/47/14/334074714.db2.gz NUNDAIQLBRAJFD-HOCLYGCPSA-N 1 0 274.408 3.013 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCN2CCCC[C@H]2C1 ZINC000251254887 334359027 /nfs/dbraw/zinc/35/90/27/334359027.db2.gz NBTXOIXRJACKQG-HOCLYGCPSA-N 1 0 274.408 3.013 10 10 CGCERO CC1(C)CCN(c2c(F)cc(C[NH3+])cc2F)CC1 ZINC000062719228 520382822 /nfs/dbraw/zinc/38/28/22/520382822.db2.gz FSASSJUWILQLOA-UHFFFAOYSA-N 1 0 254.324 3.050 10 10 CGCERO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2O)cc1OC ZINC000040490942 525154484 /nfs/dbraw/zinc/15/44/84/525154484.db2.gz SZIJHHPZYLOHAX-GFCCVEGCSA-N 1 0 287.359 3.260 10 10 CGCERO Oc1ccc(C[NH2+][C@@H]2CCCc3sccc32)cc1O ZINC000061331008 526344307 /nfs/dbraw/zinc/34/43/07/526344307.db2.gz SFGJJLGMUIZXQD-GFCCVEGCSA-N 1 0 275.373 3.327 10 10 CGCERO Oc1ccccc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000037074279 526373658 /nfs/dbraw/zinc/37/36/58/526373658.db2.gz JXOOWBAFTURLIQ-AWEZNQCLSA-N 1 0 255.317 3.006 10 10 CGCERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000062747614 623266952 /nfs/dbraw/zinc/26/69/52/623266952.db2.gz DLEHUSPVYLQDQP-JSGCOSHPSA-N 1 0 282.403 3.158 10 10 CGCERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000246452667 640675186 /nfs/dbraw/zinc/67/51/86/640675186.db2.gz PJCMGKYABRAHFC-RLFYNMQTSA-N 1 0 289.467 3.132 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000248528969 640766842 /nfs/dbraw/zinc/76/68/42/640766842.db2.gz WKSQOWAFDBGFNY-YCPHGPKFSA-N 1 0 276.424 3.080 10 10 CGCERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000281582218 296130085 /nfs/dbraw/zinc/13/00/85/296130085.db2.gz LCQDOUXKQSAOHN-XJFOESAGSA-N 1 0 263.381 3.246 10 10 CGCERO O[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000051993782 369460290 /nfs/dbraw/zinc/46/02/90/369460290.db2.gz DJADDBOZFPTXRL-MSOLQXFVSA-N 1 0 288.435 3.070 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070528554 369803671 /nfs/dbraw/zinc/80/36/71/369803671.db2.gz XBXJPGGFGCWYPQ-XHDPSFHLSA-N 1 0 285.343 3.185 10 10 CGCERO Cc1cccc(C[NH2+][C@@H](C)c2cc(O)ccc2O)c1 ZINC000020134156 171021813 /nfs/dbraw/zinc/02/18/13/171021813.db2.gz PDGDAZARHJRYNH-LBPRGKRZSA-N 1 0 257.333 3.257 10 10 CGCERO CN(c1ccc(C[NH3+])c(C(F)(F)F)c1)[C@H]1CCSC1 ZINC000035719731 172374299 /nfs/dbraw/zinc/37/42/99/172374299.db2.gz IZGLIKRMTKDHDH-NSHDSACASA-N 1 0 290.354 3.106 10 10 CGCERO COc1ccc([C@@H](C)[NH2+]Cc2nc(C)cs2)c(O)c1 ZINC000038090882 174105105 /nfs/dbraw/zinc/10/51/05/174105105.db2.gz DYROYIZWMKYAGA-SNVBAGLBSA-N 1 0 278.377 3.017 10 10 CGCERO C[C@@H]1CCCC[C@H]1[N@H+](C)CCOc1ccc(N)cc1 ZINC000042601516 174817247 /nfs/dbraw/zinc/81/72/47/174817247.db2.gz LUOSJALQIGMNJY-CZUORRHYSA-N 1 0 262.397 3.158 10 10 CGCERO CN1CCc2cc(C[NH2+][C@@H]3CCCc4occc43)ccc21 ZINC000050286325 260685886 /nfs/dbraw/zinc/68/58/86/260685886.db2.gz LGWALVBNTAHSPM-MRXNPFEDSA-N 1 0 282.387 3.439 10 10 CGCERO Cc1cnn(CC[NH2+][C@@H](C)c2ccc3ccccc3c2O)c1 ZINC000185843259 262309654 /nfs/dbraw/zinc/30/96/54/262309654.db2.gz RTPVJBBTVYFKRM-AWEZNQCLSA-N 1 0 295.386 3.401 10 10 CGCERO COc1ccc(O)c(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000179950036 329213686 /nfs/dbraw/zinc/21/36/86/329213686.db2.gz QEEUIXIFKCKMFN-MRXNPFEDSA-N 1 0 298.386 3.087 10 10 CGCERO CCc1nccn1[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000180138388 329217988 /nfs/dbraw/zinc/21/79/88/329217988.db2.gz OVGRFVQRCANMOX-MRXNPFEDSA-N 1 0 299.418 3.297 10 10 CGCERO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cc(F)ccc1O ZINC000248879362 329901631 /nfs/dbraw/zinc/90/16/31/329901631.db2.gz RLHBVWFKHSDTMO-YNZJMPHRSA-N 1 0 279.355 3.140 10 10 CGCERO CC[NH2+]Cc1cc(F)c(N(C)CC(F)(F)F)c(F)c1 ZINC000062711374 519993045 /nfs/dbraw/zinc/99/30/45/519993045.db2.gz OZXVAUHPRAPBQS-UHFFFAOYSA-N 1 0 282.256 3.073 10 10 CGCERO CCOc1ccc(N2CC[C@@H](C[NH2+]CC(C)C)C2)cc1 ZINC000053010456 521042707 /nfs/dbraw/zinc/04/27/07/521042707.db2.gz ZTGLMJTUPJRQMC-HNNXBMFYSA-N 1 0 276.424 3.157 10 10 CGCERO CN(C)c1ccc([C@H](C[NH3+])Nc2ccc(F)cc2)cc1 ZINC000057569421 522246579 /nfs/dbraw/zinc/24/65/79/522246579.db2.gz YAIOMZGEMFBTGC-INIZCTEOSA-N 1 0 273.355 3.004 10 10 CGCERO C[NH2+][C@@H](C)c1ccc(N2CCSCC2)c(Cl)c1 ZINC000061694571 522331931 /nfs/dbraw/zinc/33/19/31/522331931.db2.gz XOJKAZUMUBEUBK-JTQLQIEISA-N 1 0 270.829 3.174 10 10 CGCERO Cc1ccc(C[NH2+][C@@H](C)c2ccc(O)cc2O)s1 ZINC000050225159 524592464 /nfs/dbraw/zinc/59/24/64/524592464.db2.gz OPBHECBGKSOZFY-JTQLQIEISA-N 1 0 263.362 3.319 10 10 CGCERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000185001322 625290323 /nfs/dbraw/zinc/29/03/23/625290323.db2.gz JIHHUUAMVBCIFY-LXIYXOSZSA-N 1 0 289.419 3.489 10 10 CGCERO C[C@@H](Cn1c2ccccc2c2c1CCSC2)[NH+](C)C ZINC000584652454 346705003 /nfs/dbraw/zinc/70/50/03/346705003.db2.gz LXFRLSXJTLZZSV-LBPRGKRZSA-N 1 0 274.433 3.381 10 10 CGCERO [O-]c1c(Br)cc(F)cc1[C@H]1CCCC[NH2+]1 ZINC000218854261 376189661 /nfs/dbraw/zinc/18/96/61/376189661.db2.gz DDSLZSHJEHSTKC-SNVBAGLBSA-N 1 0 274.133 3.108 10 10 CGCERO COc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083550028 135029576 /nfs/dbraw/zinc/02/95/76/135029576.db2.gz ZQQFHOVWBLIKJF-IAGOWNOFSA-N 1 0 276.424 3.154 10 10 CGCERO CCOc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2CC)cc1 ZINC000083549731 135029697 /nfs/dbraw/zinc/02/96/97/135029697.db2.gz WCAWTMOABUQEGB-YOEHRIQHSA-N 1 0 276.424 3.298 10 10 CGCERO CCC[NH2+]Cc1ccc(N(CC)[C@@H](C)COC)cc1 ZINC000042777472 174874474 /nfs/dbraw/zinc/87/44/74/174874474.db2.gz BUTRLBPKRNRMES-AWEZNQCLSA-N 1 0 264.413 3.047 10 10 CGCERO Oc1ccc2ccccc2c1C[N@@H+]1CCCN(C2CC2)CC1 ZINC000179729287 329208190 /nfs/dbraw/zinc/20/81/90/329208190.db2.gz NROZSSAZMXQHQC-UHFFFAOYSA-N 1 0 296.414 3.216 10 10 CGCERO C[C@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccccc1O ZINC000183591856 329250714 /nfs/dbraw/zinc/25/07/14/329250714.db2.gz BBTZTELSMOCWTB-SWLSCSKDSA-N 1 0 296.370 3.169 10 10 CGCERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(Br)ccc1O ZINC000134917566 334108368 /nfs/dbraw/zinc/10/83/68/334108368.db2.gz UCXGGKAUKDHSFH-LAEOZQHASA-N 1 0 270.170 3.214 10 10 CGCERO CCOC1CCN(c2ccc([C@@H](C)[NH3+])cc2Cl)CC1 ZINC000061696090 521658237 /nfs/dbraw/zinc/65/82/37/521658237.db2.gz WAMJOTCXTCMVII-LLVKDONJSA-N 1 0 282.815 3.365 10 10 CGCERO CC[C@@H]([NH2+]Cc1ccc(O)cc1O)c1cccs1 ZINC000049528835 522878348 /nfs/dbraw/zinc/87/83/48/522878348.db2.gz FVEQPTVBHUXEQR-GFCCVEGCSA-N 1 0 263.362 3.400 10 10 CGCERO Oc1ccc(F)cc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000226582708 622983397 /nfs/dbraw/zinc/98/33/97/622983397.db2.gz NNVJIRAWAHWMFK-MRXNPFEDSA-N 1 0 271.335 3.178 10 10 CGCERO COC1CC([NH2+][C@H](C)c2ccc3ccccc3c2O)C1 ZINC000230674435 623259360 /nfs/dbraw/zinc/25/93/60/623259360.db2.gz JMEPNQSOIPSHJK-LMWSTFAQSA-N 1 0 271.360 3.373 10 10 CGCERO Oc1cccc(Cl)c1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000133474524 636900602 /nfs/dbraw/zinc/90/06/02/636900602.db2.gz XFTFNSZJTRBZRQ-DZGCQCFKSA-N 1 0 281.783 3.189 10 10 CGCERO COc1ccc(C[NH2+][C@@H]2CCc3ccccc32)c(O)c1 ZINC000040905930 639898486 /nfs/dbraw/zinc/89/84/86/639898486.db2.gz CAJKFUQAYUXCDV-MRXNPFEDSA-N 1 0 269.344 3.178 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000248140225 640744584 /nfs/dbraw/zinc/74/45/84/640744584.db2.gz POJBDNASOKDETK-QILLFSRXSA-N 1 0 290.451 3.344 10 10 CGCERO C[NH2+][C@H](C)c1ccc(N2CCC(C)CC2)c(F)c1 ZINC000020572042 368808955 /nfs/dbraw/zinc/80/89/55/368808955.db2.gz OKGDITSVTCRMJI-GFCCVEGCSA-N 1 0 250.361 3.342 10 10 CGCERO COc1cccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1O ZINC000092758109 370100791 /nfs/dbraw/zinc/10/07/91/370100791.db2.gz ZIPMHEDTSBPZQE-INIZCTEOSA-N 1 0 298.386 3.087 10 10 CGCERO COc1cc(O)c(C[NH2+][C@H](C)c2ccc(C)o2)cc1OC ZINC000181390671 374116429 /nfs/dbraw/zinc/11/64/29/374116429.db2.gz LFEPSFJDKPHIGQ-LLVKDONJSA-N 1 0 291.347 3.162 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248740794 377390722 /nfs/dbraw/zinc/39/07/22/377390722.db2.gz FBAHDMRHLPWYOY-PLQHRBFRSA-N 1 0 291.391 3.009 10 10 CGCERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1cc(F)ccc1O ZINC000281593165 379839297 /nfs/dbraw/zinc/83/92/97/379839297.db2.gz LSZZUSWZOCTJRK-UTUOFQBUSA-N 1 0 281.371 3.386 10 10 CGCERO COc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1C ZINC000282063924 379850520 /nfs/dbraw/zinc/85/05/20/379850520.db2.gz BLHWDSRVTPFZEG-KBPBESRZSA-N 1 0 277.408 3.297 10 10 CGCERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2cccnc2)c(O)c1 ZINC000020128036 171014304 /nfs/dbraw/zinc/01/43/04/171014304.db2.gz RTYWBIOSPWUUOV-RYUDHWBXSA-N 1 0 272.348 3.208 10 10 CGCERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1O ZINC000020129334 171017260 /nfs/dbraw/zinc/01/72/60/171017260.db2.gz XIRDCARCYJDNQR-RHSMWYFYSA-N 1 0 284.403 3.346 10 10 CGCERO CC(C)[N@H+](Cc1ccc(N)cc1)Cc1cccnc1 ZINC000035365360 172154934 /nfs/dbraw/zinc/15/49/34/172154934.db2.gz AZRKCCOAGYUUBH-UHFFFAOYSA-N 1 0 255.365 3.074 10 10 CGCERO Cc1cc(C[NH3+])ccc1N(C)Cc1ccccc1F ZINC000037733241 173653522 /nfs/dbraw/zinc/65/35/22/173653522.db2.gz CMTBDLDYQKQYLH-UHFFFAOYSA-N 1 0 258.340 3.229 10 10 CGCERO CC(C)N(CC1CC1)c1ccc([C@@H](C)[NH3+])cc1F ZINC000042584911 174807932 /nfs/dbraw/zinc/80/79/32/174807932.db2.gz NZOWLMMVSNLROD-LLVKDONJSA-N 1 0 250.361 3.470 10 10 CGCERO Cc1cc(O)c(C[NH+]2CCC(c3ccnn3C)CC2)cc1C ZINC000152194596 261061318 /nfs/dbraw/zinc/06/13/18/261061318.db2.gz BGQYWBMRDJOGRO-UHFFFAOYSA-N 1 0 299.418 3.122 10 10 CGCERO Cc1cc(O)c(C[NH+]2CCC(Cn3cccn3)CC2)cc1C ZINC000152753398 261069037 /nfs/dbraw/zinc/06/90/37/261069037.db2.gz ODBSTSVYFNNZAT-UHFFFAOYSA-N 1 0 299.418 3.118 10 10 CGCERO Cc1nc([C@@H]2CCC[N@@H+]2Cc2ccccc2O)cs1 ZINC000189919778 329390203 /nfs/dbraw/zinc/39/02/03/329390203.db2.gz LBZOCXCPKRJNGE-AWEZNQCLSA-N 1 0 274.389 3.494 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000217852590 333124619 /nfs/dbraw/zinc/12/46/19/333124619.db2.gz NUNDAIQLBRAJFD-GDBMZVCRSA-N 1 0 274.408 3.013 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCCN2CCC[C@@H]2C1 ZINC000134199265 334084079 /nfs/dbraw/zinc/08/40/79/334084079.db2.gz TWOPCOLIONUUOK-GDBMZVCRSA-N 1 0 274.408 3.013 10 10 CGCERO C[C@H]1CCCC[C@@H]1N(C)c1c(F)cc(C[NH3+])cc1F ZINC000062713504 526256208 /nfs/dbraw/zinc/25/62/08/526256208.db2.gz UTGRMSVPKRJVME-HZMBPMFUSA-N 1 0 268.351 3.438 10 10 CGCERO C[C@H]1C[N@H+](Cc2cc(C(C)(C)C)cc(O)c2O)CCS1 ZINC000171606490 623178718 /nfs/dbraw/zinc/17/87/18/623178718.db2.gz LZNIHTCULZKWKX-NSHDSACASA-N 1 0 295.448 3.333 10 10 CGCERO Oc1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000179584686 373890253 /nfs/dbraw/zinc/89/02/53/373890253.db2.gz BUVCKSMXHWFCGR-MJGOQNOKSA-N 1 0 297.398 3.480 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c(O)c1 ZINC000248498110 377331626 /nfs/dbraw/zinc/33/16/26/377331626.db2.gz MCIFFHNQRQJBDW-CRNXPOROSA-N 1 0 275.392 3.309 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)c(O)c1 ZINC000186101749 262080299 /nfs/dbraw/zinc/08/02/99/262080299.db2.gz PMMVVOOCVZTRHT-DZKIICNBSA-N 1 0 276.424 3.080 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCCOC(C)(C)C1 ZINC000312064336 262347154 /nfs/dbraw/zinc/34/71/54/262347154.db2.gz DWJNUGCZCOGYQD-AWEZNQCLSA-N 1 0 263.381 3.344 10 10 CGCERO Oc1ccccc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000179567273 329209791 /nfs/dbraw/zinc/20/97/91/329209791.db2.gz JCLZVBXDUMCDKS-ZDUSSCGKSA-N 1 0 274.389 3.228 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(CC)C2)cc1 ZINC000133009467 636863674 /nfs/dbraw/zinc/86/36/74/636863674.db2.gz VQMMGSXTDKEFFD-RDJZCZTQSA-N 1 0 289.467 3.278 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)c1 ZINC000248528965 640766223 /nfs/dbraw/zinc/76/62/23/640766223.db2.gz WKSQOWAFDBGFNY-IJEWVQPXSA-N 1 0 276.424 3.080 10 10 CGCERO Cc1cc(O)c(C[NH+]2CCC(c3cc[nH]n3)CC2)cc1C ZINC000092810788 370102014 /nfs/dbraw/zinc/10/20/14/370102014.db2.gz FTNCVSJUEBMYMN-UHFFFAOYSA-N 1 0 285.391 3.112 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)c1 ZINC000248483721 377330365 /nfs/dbraw/zinc/33/03/65/377330365.db2.gz CXGHDKAFHVDVLV-IYDIDCQVSA-N 1 0 291.391 3.009 10 10 CGCERO Oc1cc2c(cc1C[N@@H+]1CCCC13CCCC3)OCO2 ZINC000365528065 382288944 /nfs/dbraw/zinc/28/89/44/382288944.db2.gz JWVHSFJOVAURPS-UHFFFAOYSA-N 1 0 275.348 3.030 10 10 CGCERO COc1ccc([C@H]([NH2+]C2CC2)c2ccccc2)c(O)c1 ZINC000022147132 171357199 /nfs/dbraw/zinc/35/71/99/171357199.db2.gz PCPSAOZJCYTVGH-QGZVFWFLSA-N 1 0 269.344 3.242 10 10 CGCERO CC[N@H+](CCC(=O)Nc1ccc(N)cc1)C1CCCCC1 ZINC000022172808 171368627 /nfs/dbraw/zinc/36/86/27/171368627.db2.gz WDOAVPJZRXJLJW-UHFFFAOYSA-N 1 0 289.423 3.252 10 10 CGCERO CC[C@H](C)C[N@H+](C)CCCOc1ccc(N)cc1 ZINC000037172193 173005571 /nfs/dbraw/zinc/00/55/71/173005571.db2.gz DXUAYVUBXFRCTP-ZDUSSCGKSA-N 1 0 250.386 3.016 10 10 CGCERO CC[NH2+]Cc1ccc(N2CCC[C@H]2CC)c(F)c1 ZINC000037914687 173848636 /nfs/dbraw/zinc/84/86/36/173848636.db2.gz CTHAXDCVUCQEIQ-CYBMUJFWSA-N 1 0 250.361 3.314 10 10 CGCERO Cc1cccc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)c1O ZINC000179986669 261829506 /nfs/dbraw/zinc/82/95/06/261829506.db2.gz ZGSFCWDVCOQWTA-OAHLLOKOSA-N 1 0 297.402 3.030 10 10 CGCERO Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1O ZINC000180262595 329219204 /nfs/dbraw/zinc/21/92/04/329219204.db2.gz YRPOVDVCNBCMTN-HNNXBMFYSA-N 1 0 271.364 3.151 10 10 CGCERO CCCC[C@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000050886970 521149172 /nfs/dbraw/zinc/14/91/72/521149172.db2.gz XTQDJGSVOUEZJR-LBPRGKRZSA-N 1 0 251.370 3.459 10 10 CGCERO CC(C)C[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000062734300 519747347 /nfs/dbraw/zinc/74/73/47/519747347.db2.gz KIVKLHYWOBLWQJ-GJZGRUSLSA-N 1 0 276.424 3.046 10 10 CGCERO C[NH2+]Cc1ccc(N2CCC[C@@H](C)[C@H]2C)c(F)c1 ZINC000050566029 522120542 /nfs/dbraw/zinc/12/05/42/522120542.db2.gz UMRSCNVDJRVGJU-VXGBXAGGSA-N 1 0 250.361 3.170 10 10 CGCERO CC[C@H](C[NH2+]CC(C)C)N(C)c1ccc(OC)cc1 ZINC000052541779 522194735 /nfs/dbraw/zinc/19/47/35/522194735.db2.gz JZYTUYQAVPIOFA-CQSZACIVSA-N 1 0 264.413 3.156 10 10 CGCERO Cc1cc(N(C)[C@H]2CCSC2)ccc1C[NH2+]C1CC1 ZINC000050582034 525031500 /nfs/dbraw/zinc/03/15/00/525031500.db2.gz MIFKROBEBSMNIU-INIZCTEOSA-N 1 0 276.449 3.189 10 10 CGCERO Cc1cc(O)c(CN(C)[C@H](C)C(=O)OC(C)(C)C)cc1C ZINC000177641690 618834056 /nfs/dbraw/zinc/83/40/56/618834056.db2.gz PVAOEKWFBIMWPO-CYBMUJFWSA-N 1 0 293.407 3.171 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000153735988 624031166 /nfs/dbraw/zinc/03/11/66/624031166.db2.gz POJBDNASOKDETK-YXJHDRRASA-N 1 0 290.451 3.344 10 10 CGCERO Cc1cc(O)c(C[NH+]2CCC([C@@H](C)O)CC2)cc1C(C)C ZINC000158596494 640009240 /nfs/dbraw/zinc/00/92/40/640009240.db2.gz XCNDFDNVWGDXGD-CQSZACIVSA-N 1 0 291.435 3.417 10 10 CGCERO Oc1ccc2ccccc2c1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000093479699 370135469 /nfs/dbraw/zinc/13/54/69/370135469.db2.gz FTEWMKVJQYLYNO-RTHVDDQRSA-N 1 0 297.398 3.138 10 10 CGCERO Cn1cc([C@@H]2CCC[N@@H+]2Cc2cc(Cl)ccc2O)cn1 ZINC000131874893 371136266 /nfs/dbraw/zinc/13/62/66/371136266.db2.gz PEKDUMGJFNOGMT-AWEZNQCLSA-N 1 0 291.782 3.116 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@]12CCOC2 ZINC000311771951 374255144 /nfs/dbraw/zinc/25/51/44/374255144.db2.gz GPGPFIZROVECDB-HOCLYGCPSA-N 1 0 261.365 3.098 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248740801 377392106 /nfs/dbraw/zinc/39/21/06/377392106.db2.gz FBAHDMRHLPWYOY-XTQGRXLLSA-N 1 0 291.391 3.009 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000368030803 392485286 /nfs/dbraw/zinc/48/52/86/392485286.db2.gz PPAPNTBAZIJCEW-HIFRSBDPSA-N 1 0 263.381 3.344 10 10 CGCERO CCOc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@H]2CC)cc1 ZINC000083549734 135029434 /nfs/dbraw/zinc/02/94/34/135029434.db2.gz WCAWTMOABUQEGB-RHSMWYFYSA-N 1 0 276.424 3.298 10 10 CGCERO CN(C)c1ccc([C@H]([NH3+])Cc2ccccc2F)cc1 ZINC000011571026 170422016 /nfs/dbraw/zinc/42/20/16/170422016.db2.gz BFEASPWYIDNYLW-MRXNPFEDSA-N 1 0 258.340 3.134 10 10 CGCERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccncc2)c(O)c1 ZINC000020121831 171001476 /nfs/dbraw/zinc/00/14/76/171001476.db2.gz FCHJPZPRPVLEAW-VXGBXAGGSA-N 1 0 272.348 3.208 10 10 CGCERO C[C@@H]1CCC[C@H](C)[N@H+]1CCCC(=O)Nc1ccc(N)cc1 ZINC000022219829 171377079 /nfs/dbraw/zinc/37/70/79/171377079.db2.gz QXZOLEYFGNJCAZ-OKILXGFUSA-N 1 0 289.423 3.250 10 10 CGCERO CCN(c1ccccc1)[C@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000022222217 171378846 /nfs/dbraw/zinc/37/88/46/171378846.db2.gz CLILEMGRFFDXFY-GOSISDBHSA-N 1 0 283.419 3.279 10 10 CGCERO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)c1ccco1 ZINC000035738893 172392488 /nfs/dbraw/zinc/39/24/88/172392488.db2.gz PLOIPFJMMOGXOP-SECBINFHSA-N 1 0 251.713 3.489 10 10 CGCERO C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000178355403 329199129 /nfs/dbraw/zinc/19/91/29/329199129.db2.gz YVEKEFPBGSHTCU-BKTGTZMESA-N 1 0 296.414 3.062 10 10 CGCERO C[C@@H]([NH2+]CC[C@H]1C(=O)Nc2ccccc21)c1ccccc1O ZINC000183591872 329250871 /nfs/dbraw/zinc/25/08/71/329250871.db2.gz BBTZTELSMOCWTB-IUODEOHRSA-N 1 0 296.370 3.169 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190331260 329395006 /nfs/dbraw/zinc/39/50/06/329395006.db2.gz OWLXQHMHDLPUBP-KYJSFNMBSA-N 1 0 283.371 3.203 10 10 CGCERO C[C@H]([NH2+][C@H]1CCCC[C@H]1n1cccn1)c1ccccc1O ZINC000248385174 329890821 /nfs/dbraw/zinc/89/08/21/329890821.db2.gz HLZPOMGJZWOGPV-CWRNSKLLSA-N 1 0 285.391 3.423 10 10 CGCERO CCOc1cccc(C[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000165019900 331305550 /nfs/dbraw/zinc/30/55/50/331305550.db2.gz NDKQIWIYXFRFBV-UHFFFAOYSA-N 1 0 275.323 3.220 10 10 CGCERO CC[NH2+]C[C@@H]1CCN(c2ccc(OCC(C)C)cc2)C1 ZINC000066056221 519951692 /nfs/dbraw/zinc/95/16/92/519951692.db2.gz YQDKLECMXNNBKM-HNNXBMFYSA-N 1 0 276.424 3.157 10 10 CGCERO CC[C@@H](C[NH2+]CC(C)C)N(C)c1ccc(OC)cc1 ZINC000052541777 522547023 /nfs/dbraw/zinc/54/70/23/522547023.db2.gz JZYTUYQAVPIOFA-AWEZNQCLSA-N 1 0 264.413 3.156 10 10 CGCERO COc1cccc(C[NH2+][C@@H]2CCOc3ccccc32)c1O ZINC000037074356 526033687 /nfs/dbraw/zinc/03/36/87/526033687.db2.gz NHYFLKOQNSETRW-CQSZACIVSA-N 1 0 285.343 3.014 10 10 CGCERO [NH3+]Cc1ccc(N2CCc3sccc3C2)c(Cl)c1 ZINC000062792884 527256499 /nfs/dbraw/zinc/25/64/99/527256499.db2.gz BOHVVEVMUBGGCW-UHFFFAOYSA-N 1 0 278.808 3.423 10 10 CGCERO C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCS1 ZINC000160145530 617607284 /nfs/dbraw/zinc/60/72/84/617607284.db2.gz SQMHUWPQFVUMEQ-LBPRGKRZSA-N 1 0 277.433 3.208 10 10 CGCERO C[C@@H](O)C1CC[NH+](Cc2c(O)ccc3ccccc32)CC1 ZINC000077209265 618151308 /nfs/dbraw/zinc/15/13/08/618151308.db2.gz NRVPSMKDIBKNCV-CYBMUJFWSA-N 1 0 285.387 3.138 10 10 CGCERO Cc1cc(O)c(C[NH+]2CCC([C@H](C)O)CC2)cc1C(C)C ZINC000158596638 640009531 /nfs/dbraw/zinc/00/95/31/640009531.db2.gz XCNDFDNVWGDXGD-AWEZNQCLSA-N 1 0 291.435 3.417 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000247205320 640712829 /nfs/dbraw/zinc/71/28/29/640712829.db2.gz WPSGTQVEANDIMN-JJRVBVJISA-N 1 0 276.424 3.361 10 10 CGCERO Cc1ccc(C)n1-c1ccccc1OCC[NH+](C)C ZINC000584602002 346689944 /nfs/dbraw/zinc/68/99/44/346689944.db2.gz WHIKQLQYMPUQTR-UHFFFAOYSA-N 1 0 258.365 3.035 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N(C)[C@H]2CCSC2)c(Cl)c1 ZINC000103965792 185870429 /nfs/dbraw/zinc/87/04/29/185870429.db2.gz CTEMDJDRCVYJCC-KOLCDFICSA-N 1 0 270.829 3.301 10 10 CGCERO CC[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3 ZINC000027518486 368871515 /nfs/dbraw/zinc/87/15/15/368871515.db2.gz YPNFSVPDCPRGIG-CQSZACIVSA-N 1 0 281.355 3.240 10 10 CGCERO CCOc1cccc(C[NH2+][C@@H](CC)C(C)C)c1O ZINC000042584857 369225814 /nfs/dbraw/zinc/22/58/14/369225814.db2.gz XZDPQTAZVCEMOG-ZDUSSCGKSA-N 1 0 251.370 3.315 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1O ZINC000248383515 377301228 /nfs/dbraw/zinc/30/12/28/377301228.db2.gz AJDGLFQDKHDILT-DCDXPUDHSA-N 1 0 261.365 3.000 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000252060933 377613069 /nfs/dbraw/zinc/61/30/69/377613069.db2.gz ZVWIHWIPPJKDIP-LIRZEXBASA-N 1 0 288.435 3.361 10 10 CGCERO COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccccn2)c(O)c1 ZINC000020123944 171005431 /nfs/dbraw/zinc/00/54/31/171005431.db2.gz DAUBBLHAZZRHJJ-RYUDHWBXSA-N 1 0 272.348 3.208 10 10 CGCERO COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccccn2)c(O)c1 ZINC000020123945 171005857 /nfs/dbraw/zinc/00/58/57/171005857.db2.gz DAUBBLHAZZRHJJ-VXGBXAGGSA-N 1 0 272.348 3.208 10 10 CGCERO CCN(c1ccccc1)[C@@H](C[NH3+])c1ccc(N(C)C)cc1 ZINC000022222215 171378874 /nfs/dbraw/zinc/37/88/74/171378874.db2.gz CLILEMGRFFDXFY-SFHVURJKSA-N 1 0 283.419 3.279 10 10 CGCERO CC[C@@H]1CCCN1c1ccc([C@@H](C)[NH2+]C)cc1F ZINC000037914114 173847248 /nfs/dbraw/zinc/84/72/48/173847248.db2.gz XBRYLJOAHCAMNW-DGCLKSJQSA-N 1 0 250.361 3.485 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000251173077 334357790 /nfs/dbraw/zinc/35/77/90/334357790.db2.gz BXAMRXCSZDJDHQ-INMHGKMJSA-N 1 0 275.392 3.487 10 10 CGCERO CC(C)(C)[NH2+]Cc1ccc(N2CCSCC2)cc1 ZINC000062734960 518764498 /nfs/dbraw/zinc/76/44/98/518764498.db2.gz PDPDXSLKEJTJHI-UHFFFAOYSA-N 1 0 264.438 3.128 10 10 CGCERO CC(C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000062734299 519747243 /nfs/dbraw/zinc/74/72/43/519747243.db2.gz KIVKLHYWOBLWQJ-GASCZTMLSA-N 1 0 276.424 3.046 10 10 CGCERO COc1ccc(N2CC[C@@H](C[NH2+]CC(C)C)C2)cc1Cl ZINC000053011778 524440771 /nfs/dbraw/zinc/44/07/71/524440771.db2.gz DKLUBLHFVLLWFV-ZDUSSCGKSA-N 1 0 296.842 3.421 10 10 CGCERO C[C@H]([NH3+])c1ccc(N(C)Cc2ccccn2)c(Cl)c1 ZINC000061695312 524864188 /nfs/dbraw/zinc/86/41/88/524864188.db2.gz MMCGFGAKSMPSRD-NSHDSACASA-N 1 0 275.783 3.391 10 10 CGCERO C[C@@H]1CC(C[NH2+]Cc2ccc(N(C)C)cc2)C[C@@H](C)O1 ZINC000282149326 526228357 /nfs/dbraw/zinc/22/83/57/526228357.db2.gz HPVIXCILCSBJQS-ZIAGYGMSSA-N 1 0 276.424 3.046 10 10 CGCERO CN1CCCc2cc(C[NH2+]CCc3ccccc3)ccc21 ZINC000050285872 618657029 /nfs/dbraw/zinc/65/70/29/618657029.db2.gz NVUGSVUHWWKNTA-UHFFFAOYSA-N 1 0 280.415 3.401 10 10 CGCERO Cc1cc(O)c([C@H]([NH3+])C(C)C)c(C)c1Br ZINC000095717462 619287219 /nfs/dbraw/zinc/28/72/19/619287219.db2.gz FPGNSDBWHMNTBH-GFCCVEGCSA-N 1 0 272.186 3.427 10 10 CGCERO C[C@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000042879535 621888462 /nfs/dbraw/zinc/88/84/62/621888462.db2.gz HNYKLXILDYDTMT-VIFPVBQESA-N 1 0 277.345 3.033 10 10 CGCERO CC(=O)Oc1c(C(C)(C)C)cc(O)c(C[NH3+])c1C(C)(C)C ZINC000136016031 346089398 /nfs/dbraw/zinc/08/93/98/346089398.db2.gz DJFANDMJDMYQFC-UHFFFAOYSA-N 1 0 293.407 3.371 10 10 CGCERO C[C@H]([NH3+])c1ccc(N2CC[C@@H](C)C[C@H]2C)c(F)c1 ZINC000103964920 136525504 /nfs/dbraw/zinc/52/55/04/136525504.db2.gz LCNRIOWRBGHXPE-UTUOFQBUSA-N 1 0 250.361 3.470 10 10 CGCERO CC[C@H]([NH2+][C@@H]1c2ccccc2C[C@H]1O)c1ccccc1O ZINC000248549971 377344920 /nfs/dbraw/zinc/34/49/20/377344920.db2.gz HPSWWFAKVXVDPH-CGTJXYLNSA-N 1 0 283.371 3.091 10 10 CGCERO Cc1cccc(C[NH2+][C@@H](C)c2ccc(O)cc2O)c1 ZINC000020134075 171021780 /nfs/dbraw/zinc/02/17/80/171021780.db2.gz UAXLPNJGXNDXDD-LBPRGKRZSA-N 1 0 257.333 3.257 10 10 CGCERO CCC[NH2+]Cc1ccc(N(CC)[C@H](C)COC)cc1 ZINC000042777475 174874400 /nfs/dbraw/zinc/87/44/00/174874400.db2.gz BUTRLBPKRNRMES-CQSZACIVSA-N 1 0 264.413 3.047 10 10 CGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000180193399 329218187 /nfs/dbraw/zinc/21/81/87/329218187.db2.gz ZNTBZMGFYGJJEQ-AWEZNQCLSA-N 1 0 273.332 3.331 10 10 CGCERO CC[C@H]1CCCN1c1c(F)cc(C[NH2+]C)cc1F ZINC000062711510 523111053 /nfs/dbraw/zinc/11/10/53/523111053.db2.gz WJULSRHKWHGBNE-NSHDSACASA-N 1 0 254.324 3.063 10 10 CGCERO C[C@@H]1CN(c2ccc(C[NH2+]C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000062734298 525065437 /nfs/dbraw/zinc/06/54/37/525065437.db2.gz ILWVEFSFDPUCFP-ZIAGYGMSSA-N 1 0 276.424 3.188 10 10 CGCERO Cc1cc(C)c(O)c(C[NH+]2CCC(Cn3cccn3)CC2)c1 ZINC000164384311 622829250 /nfs/dbraw/zinc/82/92/50/622829250.db2.gz MSPAGJCKQKYYGK-UHFFFAOYSA-N 1 0 299.418 3.118 10 10 CGCERO Oc1ccc(F)cc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000226582717 622984187 /nfs/dbraw/zinc/98/41/87/622984187.db2.gz NNVJIRAWAHWMFK-INIZCTEOSA-N 1 0 271.335 3.178 10 10 CGCERO Cc1cc(C[N@H+]2CC[C@@H](N(C)C)C2)c(O)c(C(C)(C)C)c1 ZINC000170843155 624648175 /nfs/dbraw/zinc/64/81/75/624648175.db2.gz HZQFIXVLBKCEEN-OAHLLOKOSA-N 1 0 290.451 3.134 10 10 CGCERO C[C@H](Cn1c2ccccc2c2c1CCSC2)[NH+](C)C ZINC000584652446 346705329 /nfs/dbraw/zinc/70/53/29/346705329.db2.gz LXFRLSXJTLZZSV-GFCCVEGCSA-N 1 0 274.433 3.381 10 10 CGCERO COCC[NH2+]Cc1ccccc1Sc1nccs1 ZINC000104287597 185956453 /nfs/dbraw/zinc/95/64/53/185956453.db2.gz ZGZBTIVIVISLMS-UHFFFAOYSA-N 1 0 280.418 3.030 10 10 CGCERO Cc1cccc(C[NH2+][C@@H](CN(C)C)c2ccccc2)c1O ZINC000158083406 392555336 /nfs/dbraw/zinc/55/53/36/392555336.db2.gz QNXQVPMGIQVPDV-KRWDZBQOSA-N 1 0 284.403 3.093 10 10 CGCERO Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccccc3O)C2)n1 ZINC000179567712 392704980 /nfs/dbraw/zinc/70/49/80/392704980.db2.gz XJIVBLCJRWEAGN-OAHLLOKOSA-N 1 0 297.402 3.030 10 10 CGCERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(O)c(O)c1 ZINC000020126133 171009881 /nfs/dbraw/zinc/00/98/81/171009881.db2.gz SDMJIQDLXWQFGX-LBPRGKRZSA-N 1 0 257.333 3.257 10 10 CGCERO c1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362810 260094706 /nfs/dbraw/zinc/09/47/06/260094706.db2.gz ORYHWFOMFUMGTR-KRWDZBQOSA-N 1 0 265.356 3.399 10 10 CGCERO CS[C@@H](C)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000128060664 264275815 /nfs/dbraw/zinc/27/58/15/264275815.db2.gz BDCABUGGTYAJHN-NSHDSACASA-N 1 0 261.390 3.387 10 10 CGCERO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000180029539 329214614 /nfs/dbraw/zinc/21/46/14/329214614.db2.gz JWMXQDHVAMMOAC-NSHDSACASA-N 1 0 292.379 3.367 10 10 CGCERO COc1ccc(O)c(C[NH2+][C@H](C)c2ccc(C)o2)c1 ZINC000036959909 524756031 /nfs/dbraw/zinc/75/60/31/524756031.db2.gz OWTQGYAUWQABKQ-LLVKDONJSA-N 1 0 261.321 3.153 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000252870613 617647659 /nfs/dbraw/zinc/64/76/59/617647659.db2.gz OGQOSGSEVWXCOV-JGGQBBKZSA-N 1 0 263.381 3.045 10 10 CGCERO COC1CC([NH2+][C@@H](C)c2ccc3ccccc3c2O)C1 ZINC000230674430 623259140 /nfs/dbraw/zinc/25/91/40/623259140.db2.gz JMEPNQSOIPSHJK-XGNXJENSSA-N 1 0 271.360 3.373 10 10 CGCERO CCN(CC)c1ccc(C[NH2+]C[C@H]2CCCC[C@H]2O)cc1 ZINC000085965246 625970870 /nfs/dbraw/zinc/97/08/70/625970870.db2.gz OLUXCOWUVYHWBY-SJLPKXTDSA-N 1 0 290.451 3.174 10 10 CGCERO C[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1c(O)ccc2ccccc21 ZINC000247091785 640709647 /nfs/dbraw/zinc/70/96/47/640709647.db2.gz NXFVVULWYJYJJI-HOCLYGCPSA-N 1 0 296.414 3.214 10 10 CGCERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1O ZINC000281582213 299311491 /nfs/dbraw/zinc/31/14/91/299311491.db2.gz LCQDOUXKQSAOHN-CRWXNKLISA-N 1 0 263.381 3.246 10 10 CGCERO Oc1ccc(C[NH2+][C@@H]2CCCc3ccccc32)cc1O ZINC000020133476 171020995 /nfs/dbraw/zinc/02/09/95/171020995.db2.gz VOOKNTNVXAQLHM-OAHLLOKOSA-N 1 0 269.344 3.265 10 10 CGCERO C[NH2+][C@@H](C)c1ccc(N(C)C2CCCC2)c(F)c1 ZINC000034841253 171884586 /nfs/dbraw/zinc/88/45/86/171884586.db2.gz RGNVHAZKKRPKCC-NSHDSACASA-N 1 0 250.361 3.485 10 10 CGCERO c1ccc(COc2ccc(N3CCC[NH2+]CC3)cc2)cc1 ZINC000035298406 172111994 /nfs/dbraw/zinc/11/19/94/172111994.db2.gz MUKVPCYSKCERIH-UHFFFAOYSA-N 1 0 282.387 3.065 10 10 CGCERO Cc1cc(Cl)cc(CN2CCC[N@@H+](C3CC3)CC2)c1O ZINC000179923967 329213524 /nfs/dbraw/zinc/21/35/24/329213524.db2.gz HAXLGOUATGMJKZ-UHFFFAOYSA-N 1 0 294.826 3.024 10 10 CGCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000252001474 329939829 /nfs/dbraw/zinc/93/98/29/329939829.db2.gz WQGONMXUVQNPAB-SQWGHXPGSA-N 1 0 281.783 3.264 10 10 CGCERO CC[NH2+]Cc1ccc(N2CCC[C@@H](C)C2)c(F)c1 ZINC000034823343 535478111 /nfs/dbraw/zinc/47/81/11/535478111.db2.gz VBNGUXQQBBUWRG-GFCCVEGCSA-N 1 0 250.361 3.172 10 10 CGCERO C[NH2+][C@H](C)c1ccc(N2C[C@H](C)OC[C@H]2C)c(Cl)c1 ZINC000061695198 522449606 /nfs/dbraw/zinc/44/96/06/522449606.db2.gz MQTUXCSPDRXOMA-GRYCIOLGSA-N 1 0 282.815 3.234 10 10 CGCERO CC(C)N(C)c1c(F)cc(C[NH2+]C2CC2)cc1F ZINC000062709515 519632183 /nfs/dbraw/zinc/63/21/83/519632183.db2.gz KDACFUAMOKQKAL-UHFFFAOYSA-N 1 0 254.324 3.061 10 10 CGCERO CCC[NH2+]Cc1cc(F)c(N2CCCCC2)c(F)c1 ZINC000062709643 519948981 /nfs/dbraw/zinc/94/89/81/519948981.db2.gz WNODTIRCUIPRAN-UHFFFAOYSA-N 1 0 268.351 3.455 10 10 CGCERO COc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1C ZINC000070070207 524086808 /nfs/dbraw/zinc/08/68/08/524086808.db2.gz FHWNOMGKWZQQJS-OAHLLOKOSA-N 1 0 269.344 3.227 10 10 CGCERO C[C@H]1CCCC[C@H]1N(C)c1c(F)cc(C[NH3+])cc1F ZINC000062713512 526261228 /nfs/dbraw/zinc/26/12/28/526261228.db2.gz UTGRMSVPKRJVME-IINYFYTJSA-N 1 0 268.351 3.438 10 10 CGCERO COc1ccc(O)c(C[NH2+]CC2CCC(C)CC2)c1 ZINC000063144538 619283789 /nfs/dbraw/zinc/28/37/89/619283789.db2.gz ZLUGPTSTXHTGJA-UHFFFAOYSA-N 1 0 263.381 3.317 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)c1ccc(N(C)C)cc1 ZINC000133032526 636864513 /nfs/dbraw/zinc/86/45/13/636864513.db2.gz KWKVOBRXYNXZJN-AEFFLSMTSA-N 1 0 289.467 3.278 10 10 CGCERO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@H]3CCCC[C@H]32)c1 ZINC000246806536 640693653 /nfs/dbraw/zinc/69/36/53/640693653.db2.gz PSQPTJVYUZQVJY-CVEARBPZSA-N 1 0 275.392 3.152 10 10 CGCERO C[C@H](c1ccccc1)[NH+]1CCN(c2ccc(N)cc2)CC1 ZINC000011756059 136565097 /nfs/dbraw/zinc/56/50/97/136565097.db2.gz MUCYQIPNCDKESN-OAHLLOKOSA-N 1 0 281.403 3.152 10 10 CGCERO Cc1cc(C)c(O)c2c1C[C@H](c1ccccc1)[C@@H]2[NH3+] ZINC000026155644 368856926 /nfs/dbraw/zinc/85/69/26/368856926.db2.gz JHVNHBFPJSLMTF-ZBFHGGJFSA-N 1 0 253.345 3.349 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc2ccccc2c1O ZINC000134236632 371314235 /nfs/dbraw/zinc/31/42/35/371314235.db2.gz HEOZTWVGQMFLDK-MQIPJXDCSA-N 1 0 271.360 3.373 10 10 CGCERO CCn1cc(C2CC[NH+](Cc3cccc(C)c3O)CC2)cn1 ZINC000179979481 373950832 /nfs/dbraw/zinc/95/08/32/373950832.db2.gz KSLXJDRURDPZDS-UHFFFAOYSA-N 1 0 299.418 3.297 10 10 CGCERO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1O ZINC000249185394 377473851 /nfs/dbraw/zinc/47/38/51/377473851.db2.gz NYOGYZDORHWYNQ-BFHYXJOUSA-N 1 0 281.783 3.011 10 10 CGCERO CN(C)c1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000020146120 171032043 /nfs/dbraw/zinc/03/20/43/171032043.db2.gz PYSCYJFXTMPQRT-QGZVFWFLSA-N 1 0 282.387 3.366 10 10 CGCERO CN(C)c1ccc([C@@H](CN)[N@H+](C)CC2CCCCC2)cc1 ZINC000020226122 171090002 /nfs/dbraw/zinc/09/00/02/171090002.db2.gz WMVXBALOIUNJCZ-GOSISDBHSA-N 1 0 289.467 3.265 10 10 CGCERO C[C@@H]1CCC[C@@H](C)[NH+]1CCCC(=O)Nc1ccc(N)cc1 ZINC000022219826 171377335 /nfs/dbraw/zinc/37/73/35/171377335.db2.gz QXZOLEYFGNJCAZ-ZIAGYGMSSA-N 1 0 289.423 3.250 10 10 CGCERO COc1ccc(O)c([C@H](C)Nc2cccnc2C)c1 ZINC000091495508 327102571 /nfs/dbraw/zinc/10/25/71/327102571.db2.gz MYGMIMHCRQSSKX-JTQLQIEISA-N 1 0 258.321 3.277 10 10 CGCERO Oc1ccccc1CNCc1ncc(-c2ccccc2)cn1 ZINC000185874629 329334190 /nfs/dbraw/zinc/33/41/90/329334190.db2.gz ZYZABKUCZRRTQV-UHFFFAOYSA-N 1 0 291.354 3.139 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)c1 ZINC000248750665 329898732 /nfs/dbraw/zinc/89/87/32/329898732.db2.gz FTMGZAVWFCJSOX-DXCKQFNASA-N 1 0 275.392 3.309 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000217852500 333124653 /nfs/dbraw/zinc/12/46/53/333124653.db2.gz NUNDAIQLBRAJFD-ZBFHGGJFSA-N 1 0 274.408 3.013 10 10 CGCERO CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C ZINC000251169387 334357549 /nfs/dbraw/zinc/35/75/49/334357549.db2.gz BKJWLSZIRUWAHA-YCPHGPKFSA-N 1 0 274.408 3.012 10 10 CGCERO COc1ccc([C@H](C)[NH2+]Cc2ccccc2O)cc1OC ZINC000040490941 525326666 /nfs/dbraw/zinc/32/66/66/525326666.db2.gz SZIJHHPZYLOHAX-LBPRGKRZSA-N 1 0 287.359 3.260 10 10 CGCERO CC(C)c1cc(Br)cc([C@H](C)[NH3+])c1O ZINC000757143073 617792773 /nfs/dbraw/zinc/79/27/73/617792773.db2.gz DUYDGHQLSKWGLU-ZETCQYMHSA-N 1 0 258.159 3.298 10 10 CGCERO C[C@@H]([NH2+]Cc1cc2c(cc1O)OCO2)c1cccs1 ZINC000042879537 621888583 /nfs/dbraw/zinc/88/85/83/621888583.db2.gz HNYKLXILDYDTMT-SECBINFHSA-N 1 0 277.345 3.033 10 10 CGCERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000062747616 623266361 /nfs/dbraw/zinc/26/63/61/623266361.db2.gz DLEHUSPVYLQDQP-OCCSQVGLSA-N 1 0 282.403 3.158 10 10 CGCERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccccc1O ZINC000281582216 299286406 /nfs/dbraw/zinc/28/64/06/299286406.db2.gz LCQDOUXKQSAOHN-UPJWGTAASA-N 1 0 263.381 3.246 10 10 CGCERO Oc1cc2c(cc1C[N@@H+]1CCC[C@@H]1c1ccco1)OCO2 ZINC000116256624 370553689 /nfs/dbraw/zinc/55/36/89/370553689.db2.gz OHSOMRBDNBGQTK-GFCCVEGCSA-N 1 0 287.315 3.051 10 10 CGCERO Cc1cnn([C@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)c1 ZINC000180140360 373970431 /nfs/dbraw/zinc/97/04/31/373970431.db2.gz LJYOGOMVCXRCGW-INIZCTEOSA-N 1 0 285.391 3.043 10 10 CGCERO COc1cc(O)c(C[NH2+][C@@H](C)c2ccc(C)o2)cc1OC ZINC000181390691 374116348 /nfs/dbraw/zinc/11/63/48/374116348.db2.gz LFEPSFJDKPHIGQ-NSHDSACASA-N 1 0 291.347 3.162 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)c(O)c1 ZINC000248498112 377331025 /nfs/dbraw/zinc/33/10/25/377331025.db2.gz MCIFFHNQRQJBDW-FAYQHZLMSA-N 1 0 275.392 3.309 10 10 CGCERO Oc1ccccc1C[NH2+]Cc1ccc(-c2cc[nH]n2)cc1 ZINC000040768473 391985234 /nfs/dbraw/zinc/98/52/34/391985234.db2.gz SOHCGEKAAKCKRC-UHFFFAOYSA-N 1 0 279.343 3.072 10 10 CGCERO C[C@@H]([NH2+]Cc1ccc(O)cc1O)c1cccc(F)c1 ZINC000020147818 171034901 /nfs/dbraw/zinc/03/49/01/171034901.db2.gz SZPUWHFKENKMRL-SNVBAGLBSA-N 1 0 261.296 3.088 10 10 CGCERO C[NH2+][C@@H](C)c1ccc(N2CCCCCC2)c(F)c1 ZINC000020550979 171247077 /nfs/dbraw/zinc/24/70/77/171247077.db2.gz LLNSFSFNZAHKHV-LBPRGKRZSA-N 1 0 250.361 3.487 10 10 CGCERO CCC[NH2+]Cc1csc(-c2ccc(N(C)C)cc2)n1 ZINC000041010060 174448734 /nfs/dbraw/zinc/44/87/34/174448734.db2.gz SADQQCCDCWKBQZ-UHFFFAOYSA-N 1 0 275.421 3.376 10 10 CGCERO C[NH2+]Cc1ccc(N(C)[C@@H](C)CC(C)C)c(F)c1 ZINC000042588382 174810044 /nfs/dbraw/zinc/81/00/44/174810044.db2.gz NVOKODZQPKAIKE-LBPRGKRZSA-N 1 0 252.377 3.416 10 10 CGCERO C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cc(Cl)ccc1O ZINC000185531316 262058984 /nfs/dbraw/zinc/05/89/84/262058984.db2.gz FKZVARLNVWZUBU-MJVIPROJSA-N 1 0 283.799 3.247 10 10 CGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070528555 326917644 /nfs/dbraw/zinc/91/76/44/326917644.db2.gz XBXJPGGFGCWYPQ-IAQYHMDHSA-N 1 0 285.343 3.185 10 10 CGCERO COc1cccc([C@@H](C)[NH2+]Cc2cccc(F)c2[O-])c1 ZINC000165021701 331305579 /nfs/dbraw/zinc/30/55/79/331305579.db2.gz HHWSTCHDVCSNJT-LLVKDONJSA-N 1 0 275.323 3.391 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1C[C@H]2CCCN2C[C@@H]1C ZINC000251237003 334358477 /nfs/dbraw/zinc/35/84/77/334358477.db2.gz LJQQYYIKUGDVOA-SQWLQELKSA-N 1 0 274.408 3.012 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2ccccn2)c(Cl)c1 ZINC000061695313 525026838 /nfs/dbraw/zinc/02/68/38/525026838.db2.gz MMCGFGAKSMPSRD-LLVKDONJSA-N 1 0 275.783 3.391 10 10 CGCERO COc1cccc(C[NH2+][C@@H](C)c2ccc(C)o2)c1O ZINC000036960298 526032106 /nfs/dbraw/zinc/03/21/06/526032106.db2.gz LOOXBQWSIMFYOV-NSHDSACASA-N 1 0 261.321 3.153 10 10 CGCERO [NH3+][C@H](c1cc(Cc2ccccc2)ccc1O)C1CC1 ZINC000757145387 617802457 /nfs/dbraw/zinc/80/24/57/617802457.db2.gz MAMGKCHKTYVCDO-KRWDZBQOSA-N 1 0 253.345 3.393 10 10 CGCERO c1csc(SCC[NH2+]Cc2ccccc2)n1 ZINC000053646941 345124124 /nfs/dbraw/zinc/12/41/24/345124124.db2.gz IKJHTHDLBPNEDO-UHFFFAOYSA-N 1 0 250.392 3.025 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N2CCc3ccccc3C2)c(F)c1 ZINC000019872382 136579650 /nfs/dbraw/zinc/57/96/50/136579650.db2.gz CPMWRZIGLGKVLO-GFCCVEGCSA-N 1 0 270.351 3.408 10 10 CGCERO CC1CCC(CC[NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC000070538536 541894092 /nfs/dbraw/zinc/89/40/92/541894092.db2.gz CJKIVERVOIGXFD-UHFFFAOYSA-N 1 0 263.381 3.404 10 10 CGCERO Oc1ccccc1C[NH2+]Cc1nc2ccccc2s1 ZINC000020136066 171023418 /nfs/dbraw/zinc/02/34/18/171023418.db2.gz LRYPUGWCDNSJNC-UHFFFAOYSA-N 1 0 270.357 3.292 10 10 CGCERO COc1ccc([C@H](C)[NH2+]CCCC(C)C)c(O)c1 ZINC000038093536 174107494 /nfs/dbraw/zinc/10/74/94/174107494.db2.gz SUVRALDMNBACRS-LBPRGKRZSA-N 1 0 251.370 3.488 10 10 CGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2COc3ccccc32)c1 ZINC000070528557 326917729 /nfs/dbraw/zinc/91/77/29/326917729.db2.gz XBXJPGGFGCWYPQ-ABAIWWIYSA-N 1 0 285.343 3.185 10 10 CGCERO Cc1cccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1O ZINC000179949918 329213873 /nfs/dbraw/zinc/21/38/73/329213873.db2.gz IUVVDDCEMQSLBT-KRWDZBQOSA-N 1 0 282.387 3.387 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000217804437 333124041 /nfs/dbraw/zinc/12/40/41/333124041.db2.gz CTFDEKMHKQMAGD-IJEWVQPXSA-N 1 0 261.365 3.097 10 10 CGCERO CCCCN(CC)c1ccc(C[NH2+]CCOC)cc1 ZINC000062734522 520484838 /nfs/dbraw/zinc/48/48/38/520484838.db2.gz MOBALWMYXNSWEX-UHFFFAOYSA-N 1 0 264.413 3.049 10 10 CGCERO CC[C@@H](CCO)C[NH2+]Cc1c(O)ccc2ccccc21 ZINC000094948900 522508884 /nfs/dbraw/zinc/50/88/84/522508884.db2.gz JKXCADFIXKQPIK-ZDUSSCGKSA-N 1 0 273.376 3.044 10 10 CGCERO COCCN(CC(C)C)c1ccc([C@H](C)[NH3+])cc1Cl ZINC000061697236 523681168 /nfs/dbraw/zinc/68/11/68/523681168.db2.gz INKKAQDOAXJHCR-LBPRGKRZSA-N 1 0 284.831 3.469 10 10 CGCERO C[C@@H]([NH2+]Cc1ccccc1O)c1ccccc1[N+](=O)[O-] ZINC000135459197 637134030 /nfs/dbraw/zinc/13/40/30/637134030.db2.gz LJNQRGBBJDKOLD-LLVKDONJSA-N 1 0 272.304 3.151 10 10 CGCERO Cc1ccc([C@H]2C[N@H+](Cc3cc(C)ccc3O)CCO2)o1 ZINC000093865028 370164941 /nfs/dbraw/zinc/16/49/41/370164941.db2.gz KOPCYZDZADZOKJ-QGZVFWFLSA-N 1 0 287.359 3.176 10 10 CGCERO Oc1ccccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000245578975 376859883 /nfs/dbraw/zinc/85/98/83/376859883.db2.gz ANSRTAGCJGKQFQ-HIFRSBDPSA-N 1 0 263.406 3.252 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)c1 ZINC000248489033 377331148 /nfs/dbraw/zinc/33/11/48/377331148.db2.gz HDADHRVGFRBFOZ-YOKBYHGQSA-N 1 0 275.392 3.309 10 10 CGCERO CCC[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1O ZINC000019505033 170816993 /nfs/dbraw/zinc/81/69/93/170816993.db2.gz SRFIIGROJADWLG-KRWDZBQOSA-N 1 0 271.360 3.490 10 10 CGCERO Oc1ccc(C[NH2+]Cc2ccccc2Cl)c(O)c1 ZINC000019908194 170919970 /nfs/dbraw/zinc/91/99/70/170919970.db2.gz VHBKRMDJVBPNSQ-UHFFFAOYSA-N 1 0 263.724 3.041 10 10 CGCERO Cc1cccc(C[NH2+][C@H](C)c2ccc(O)cc2O)c1 ZINC000020134072 171021903 /nfs/dbraw/zinc/02/19/03/171021903.db2.gz UAXLPNJGXNDXDD-GFCCVEGCSA-N 1 0 257.333 3.257 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]Cc1ccncc1 ZINC000020139791 171026566 /nfs/dbraw/zinc/02/65/66/171026566.db2.gz RTIACWDOJKGUBY-UHFFFAOYSA-N 1 0 264.328 3.230 10 10 CGCERO CC[NH2+]Cc1ccc(N(C)C[C@H](C)CC)c(F)c1 ZINC000037173776 173007609 /nfs/dbraw/zinc/00/76/09/173007609.db2.gz JYBZIBPDSCKNOH-GFCCVEGCSA-N 1 0 252.377 3.418 10 10 CGCERO CC(C)[NH2+]Cc1ccc(N(C)CC2CC2)c(F)c1 ZINC000037926004 173864580 /nfs/dbraw/zinc/86/45/80/173864580.db2.gz PNGCQGRSJLDHOF-UHFFFAOYSA-N 1 0 250.361 3.170 10 10 CGCERO COc1ccc(O)c([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000037167030 260071805 /nfs/dbraw/zinc/07/18/05/260071805.db2.gz RFCWZLORMDXSTN-UONOGXRCSA-N 1 0 294.439 3.028 10 10 CGCERO C[NH2+]Cc1ccc(N2Cc3ccccc3C2)cc1C ZINC000050911734 522119504 /nfs/dbraw/zinc/11/95/04/522119504.db2.gz SUSZCLAEAFIDIA-UHFFFAOYSA-N 1 0 252.361 3.235 10 10 CGCERO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)c1 ZINC000164286949 622827271 /nfs/dbraw/zinc/82/72/71/622827271.db2.gz BUTJBQJKVJCZST-MRXNPFEDSA-N 1 0 285.391 3.080 10 10 CGCERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccc(N(C)C)cc1 ZINC000248169052 640745268 /nfs/dbraw/zinc/74/52/68/640745268.db2.gz UJNUUKXIBGQOHJ-SZMVWBNQSA-N 1 0 290.451 3.344 10 10 CGCERO CN1CCc2cc(C[NH2+][C@H]3CCCc4occc43)ccc21 ZINC000050286326 369436403 /nfs/dbraw/zinc/43/64/03/369436403.db2.gz LGWALVBNTAHSPM-INIZCTEOSA-N 1 0 282.387 3.439 10 10 CGCERO COc1cccc2c1CC[N@H+](Cc1ccccc1O)CC2 ZINC000194571381 376019048 /nfs/dbraw/zinc/01/90/48/376019048.db2.gz MHOIDDMZBBGHEW-UHFFFAOYSA-N 1 0 283.371 3.002 10 10 CGCERO Cc1cccc(C[NH2+][C@H]2CCOc3ccccc32)c1O ZINC000158065721 392553186 /nfs/dbraw/zinc/55/31/86/392553186.db2.gz MESXOABCUYJDIH-HNNXBMFYSA-N 1 0 269.344 3.314 10 10 CGCERO Oc1ccccc1C[N@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000179584659 392704682 /nfs/dbraw/zinc/70/46/82/392704682.db2.gz BUVCKSMXHWFCGR-HKUYNNGSSA-N 1 0 297.398 3.480 10 10 CGCERO CCN(Cc1ccc(C)cc1)c1ccc(C[NH3+])cc1 ZINC000034654419 171848641 /nfs/dbraw/zinc/84/86/41/171848641.db2.gz KMVIOYKLLYPAKJ-UHFFFAOYSA-N 1 0 254.377 3.480 10 10 CGCERO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+]Cc1ccnc(C)n1 ZINC000038037455 174038140 /nfs/dbraw/zinc/03/81/40/174038140.db2.gz HPSHJQALPIUYQV-BXUZGUMPSA-N 1 0 283.375 3.137 10 10 CGCERO CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1O ZINC000248573220 329898400 /nfs/dbraw/zinc/89/84/00/329898400.db2.gz RYNOKULOAIBPEQ-WMHQRMGPSA-N 1 0 275.392 3.246 10 10 CGCERO C[NH2+][C@@H](C)c1ccc(N(C)C[C@@H]2CCCO2)c(Cl)c1 ZINC000061696711 522333564 /nfs/dbraw/zinc/33/35/64/522333564.db2.gz NGGQYNZYKJVNLS-AAEUAGOBSA-N 1 0 282.815 3.236 10 10 CGCERO C[NH2+][C@H](C)c1ccc(N2C[C@@H](C)OC[C@H]2C)c(Cl)c1 ZINC000061695197 522449143 /nfs/dbraw/zinc/44/91/43/522449143.db2.gz MQTUXCSPDRXOMA-IJLUTSLNSA-N 1 0 282.815 3.234 10 10 CGCERO COc1cc(Cl)cc(C[NH2+][C@@H](C)C(C)C)c1O ZINC000228669302 522541463 /nfs/dbraw/zinc/54/14/63/522541463.db2.gz ACKTZCIHJCMOCO-VIFPVBQESA-N 1 0 257.761 3.188 10 10 CGCERO C[C@H]([NH3+])c1ccc(N(C)Cc2cccnc2)c(Cl)c1 ZINC000061695257 524864148 /nfs/dbraw/zinc/86/41/48/524864148.db2.gz KRMFHNOIBQCPIS-NSHDSACASA-N 1 0 275.783 3.391 10 10 CGCERO Cc1ccc(O)c(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000071407668 525355152 /nfs/dbraw/zinc/35/51/52/525355152.db2.gz NICMNKLOMJXHDV-HNNXBMFYSA-N 1 0 269.344 3.314 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+][C@@H]1CCSC1 ZINC000225516697 526357167 /nfs/dbraw/zinc/35/71/67/526357167.db2.gz VOFUYNMOWFMSRF-GFCCVEGCSA-N 1 0 259.374 3.141 10 10 CGCERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)[C@@H](C)C1 ZINC000181283642 624841064 /nfs/dbraw/zinc/84/10/64/624841064.db2.gz PJCMGKYABRAHFC-MPGHIAIKSA-N 1 0 289.467 3.132 10 10 CGCERO CC(=O)Nc1ccc(O)c(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000584591157 346685712 /nfs/dbraw/zinc/68/57/12/346685712.db2.gz LKISZTUQFXGDDI-LBPRGKRZSA-N 1 0 284.359 3.201 10 10 CGCERO CC[C@H](C)[N@H+](CC)CCCOc1ccc(N)cc1 ZINC000037112154 172963560 /nfs/dbraw/zinc/96/35/60/172963560.db2.gz ZRUCGGNEKPGZMR-ZDUSSCGKSA-N 1 0 250.386 3.158 10 10 CGCERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cc(Cl)ccc1O ZINC000185506857 262057833 /nfs/dbraw/zinc/05/78/33/262057833.db2.gz QXVNULPDOUDBMW-WDMOLILDSA-N 1 0 283.799 3.247 10 10 CGCERO CCC1CCN(c2ccc(C[NH3+])c(Cl)c2)CC1 ZINC000061846020 519859824 /nfs/dbraw/zinc/85/98/24/519859824.db2.gz SBAPTOBQJODKNT-UHFFFAOYSA-N 1 0 252.789 3.425 10 10 CGCERO CCCN(CC(F)(F)F)c1ccc(C[NH3+])c(C)c1 ZINC000050584622 521587818 /nfs/dbraw/zinc/58/78/18/521587818.db2.gz KXBZBPYDARDUSJ-UHFFFAOYSA-N 1 0 260.303 3.232 10 10 CGCERO C[NH2+]Cc1ccc(N2CCC[C@H](C)[C@H]2C)c(F)c1 ZINC000050566030 522119930 /nfs/dbraw/zinc/11/99/30/522119930.db2.gz UMRSCNVDJRVGJU-NWDGAFQWSA-N 1 0 250.361 3.170 10 10 CGCERO Oc1cccc(C[NH2+][C@@H]2CCCc3sccc32)c1O ZINC000061360304 526360654 /nfs/dbraw/zinc/36/06/54/526360654.db2.gz ANQSXUWUYWVCDG-GFCCVEGCSA-N 1 0 275.373 3.327 10 10 CGCERO Cc1cc(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1C ZINC000251077014 619388128 /nfs/dbraw/zinc/38/81/28/619388128.db2.gz PYHIMYFEIINFQW-NVXWUHKLSA-N 1 0 275.392 3.152 10 10 CGCERO Cc1cccc(C[NH2+][C@@H]2CCc3ccccc3C2)c1O ZINC000158076863 623004741 /nfs/dbraw/zinc/00/47/41/623004741.db2.gz NCNZDMJRJMLXQM-QGZVFWFLSA-N 1 0 267.372 3.348 10 10 CGCERO Cc1cc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1C(C)C ZINC000172503986 623252880 /nfs/dbraw/zinc/25/28/80/623252880.db2.gz XAZUHGSBUWZPNE-MRXNPFEDSA-N 1 0 288.435 3.104 10 10 CGCERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000230934966 623284237 /nfs/dbraw/zinc/28/42/37/623284237.db2.gz LUTHZNCPVWJXKH-BXKDBHETSA-N 1 0 269.772 3.332 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccc(N(C)C)cc1 ZINC000153774036 624073853 /nfs/dbraw/zinc/07/38/53/624073853.db2.gz UJNUUKXIBGQOHJ-BPQIPLTHSA-N 1 0 290.451 3.344 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000247205327 640712674 /nfs/dbraw/zinc/71/26/74/640712674.db2.gz WPSGTQVEANDIMN-VBQJREDUSA-N 1 0 276.424 3.361 10 10 CGCERO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)cc1C ZINC000171361449 372743153 /nfs/dbraw/zinc/74/31/53/372743153.db2.gz VMGPKGCIXKEMDF-MRXNPFEDSA-N 1 0 285.391 3.080 10 10 CGCERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C[C@H](C)O1 ZINC000296433796 373133498 /nfs/dbraw/zinc/13/34/98/373133498.db2.gz MEZKHUOTROWCGD-QVHKTLOISA-N 1 0 275.392 3.173 10 10 CGCERO C[C@H]([NH2+]Cc1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000020147801 171035037 /nfs/dbraw/zinc/03/50/37/171035037.db2.gz GNKLOCUPPBYRKJ-JTQLQIEISA-N 1 0 261.296 3.088 10 10 CGCERO Cc1cc(C)cc(CN(C)c2ccc(C[NH3+])cc2)c1 ZINC000038076721 174087734 /nfs/dbraw/zinc/08/77/34/174087734.db2.gz QYFNAQSNCNBWPS-UHFFFAOYSA-N 1 0 254.377 3.399 10 10 CGCERO C[NH2+]Cc1ccc(N(CC(F)(F)F)C(C)C)cc1 ZINC000042777992 174874871 /nfs/dbraw/zinc/87/48/71/174874871.db2.gz IZMVHQLOTHGBKF-UHFFFAOYSA-N 1 0 260.303 3.183 10 10 CGCERO C[C@@H]1CC(C[NH2+][C@H]2CCc3cccc(O)c32)C[C@@H](C)O1 ZINC000296433788 274283334 /nfs/dbraw/zinc/28/33/34/274283334.db2.gz MEZKHUOTROWCGD-JMSVASOKSA-N 1 0 275.392 3.173 10 10 CGCERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Br)cc1O ZINC000134918276 334108441 /nfs/dbraw/zinc/10/84/41/334108441.db2.gz XJFDHZQVHFAOCN-VHSKPIJISA-N 1 0 270.170 3.214 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)c(O)c1 ZINC000252849443 334397231 /nfs/dbraw/zinc/39/72/31/334397231.db2.gz DWEKVMOTAQJIDA-NWANDNLSSA-N 1 0 263.381 3.045 10 10 CGCERO CCC[NH2+]Cc1cc(F)c(N(CC)C2CC2)c(F)c1 ZINC000062710126 519947752 /nfs/dbraw/zinc/94/77/52/519947752.db2.gz KIQRCDBKZCEWBX-UHFFFAOYSA-N 1 0 268.351 3.453 10 10 CGCERO CC1(C)CC[NH+](CCCOc2ccc(N)cc2)CC1 ZINC000061818231 520378897 /nfs/dbraw/zinc/37/88/97/520378897.db2.gz JZLRVNAASCGCLG-UHFFFAOYSA-N 1 0 262.397 3.160 10 10 CGCERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000246452677 622423805 /nfs/dbraw/zinc/42/38/05/622423805.db2.gz PJCMGKYABRAHFC-RVKKMQEKSA-N 1 0 289.467 3.132 10 10 CGCERO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(F)c2[O-])C1 ZINC000226586180 622985244 /nfs/dbraw/zinc/98/52/44/622985244.db2.gz YEYVWFVTMVSNAG-VXGBXAGGSA-N 1 0 251.345 3.447 10 10 CGCERO CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1cc(C)c(C)cc1O ZINC000182076946 624936360 /nfs/dbraw/zinc/93/63/60/624936360.db2.gz BBKFFZGIBMPQSY-DLBZAZTESA-N 1 0 288.435 3.068 10 10 CGCERO [O-]c1c(Br)cc(F)cc1[C@@H]1CCCC[NH2+]1 ZINC000218854181 376189758 /nfs/dbraw/zinc/18/97/58/376189758.db2.gz DDSLZSHJEHSTKC-JTQLQIEISA-N 1 0 274.133 3.108 10 10 CGCERO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H](c2ccsc2)O1 ZINC000245581155 376860866 /nfs/dbraw/zinc/86/08/66/376860866.db2.gz BMTAIFFPNQFUGS-LRDDRELGSA-N 1 0 289.400 3.416 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 ZINC000248765422 377398736 /nfs/dbraw/zinc/39/87/36/377398736.db2.gz WWPUIRQYOUODPK-IXKJSCDLSA-N 1 0 287.403 3.309 10 10 CGCERO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000251782696 377597707 /nfs/dbraw/zinc/59/77/07/377597707.db2.gz LMGRRZVKOAQBRN-FJIDUMEYSA-N 1 0 288.435 3.361 10 10 CGCERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)c1ccccc1O ZINC000020129335 171017521 /nfs/dbraw/zinc/01/75/21/171017521.db2.gz XIRDCARCYJDNQR-WMLDXEAASA-N 1 0 284.403 3.346 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1C[C@@H]2CCCN2C[C@H]1C ZINC000251236999 334358551 /nfs/dbraw/zinc/35/85/51/334358551.db2.gz LJQQYYIKUGDVOA-IJEWVQPXSA-N 1 0 274.408 3.012 10 10 CGCERO CN(Cc1cccs1)c1c(F)cc(C[NH3+])cc1F ZINC000062710649 523446783 /nfs/dbraw/zinc/44/67/83/523446783.db2.gz CCHNXKFYZDRSLS-UHFFFAOYSA-N 1 0 268.332 3.121 10 10 CGCERO C[C@H]1CCN(c2c(F)cc(C[NH2+]C3CC3)cc2F)C1 ZINC000062711635 524305416 /nfs/dbraw/zinc/30/54/16/524305416.db2.gz DMHGHULJMNPADB-JTQLQIEISA-N 1 0 266.335 3.063 10 10 CGCERO C[C@@H](N(C)c1c(F)cc(C[NH3+])cc1F)C(C)(C)C ZINC000062713658 524985091 /nfs/dbraw/zinc/98/50/91/524985091.db2.gz SNTRHTQZKFHJHR-SECBINFHSA-N 1 0 256.340 3.294 10 10 CGCERO COc1cccc(C[NH2+][C@H](C)c2ccc(C)o2)c1O ZINC000036960295 526037447 /nfs/dbraw/zinc/03/74/47/526037447.db2.gz LOOXBQWSIMFYOV-LLVKDONJSA-N 1 0 261.321 3.153 10 10 CGCERO CC[C@@H]1CO[C@@H](C)CN1c1ccc([C@H](C)[NH3+])cc1Cl ZINC000103964881 535844138 /nfs/dbraw/zinc/84/41/38/535844138.db2.gz MMKGTIVNJLGGNN-GMXVVIOVSA-N 1 0 282.815 3.363 10 10 CGCERO Nc1ccc(N2CCC[NH+]=C2c2ccc(F)cc2)cc1 ZINC000011847814 368597571 /nfs/dbraw/zinc/59/75/71/368597571.db2.gz GTSIJFXARTUCDZ-UHFFFAOYSA-N 1 0 269.323 3.065 10 10 CGCERO Cc1cnn([C@@H]2CCC[N@H+](Cc3cccc(C)c3O)C2)c1 ZINC000180140377 373970320 /nfs/dbraw/zinc/97/03/20/373970320.db2.gz LJYOGOMVCXRCGW-MRXNPFEDSA-N 1 0 285.391 3.043 10 10 CGCERO COc1ccc([C@@H](C)[NH2+]Cc2cccs2)c(O)c1 ZINC000020139635 171026880 /nfs/dbraw/zinc/02/68/80/171026880.db2.gz YPJGNBRKYNEXRN-SNVBAGLBSA-N 1 0 263.362 3.313 10 10 CGCERO C=COCCC[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000020197711 171061838 /nfs/dbraw/zinc/06/18/38/171061838.db2.gz LUOYKIHTCHRHPM-UHFFFAOYSA-N 1 0 262.397 3.173 10 10 CGCERO C[N@H+](CCc1ccc(N)cc1)Cc1cccc(F)c1 ZINC000020266808 171123665 /nfs/dbraw/zinc/12/36/65/171123665.db2.gz VWNZAIPDBJBKBU-UHFFFAOYSA-N 1 0 258.340 3.082 10 10 CGCERO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccco2)c1 ZINC000035738905 172392861 /nfs/dbraw/zinc/39/28/61/172392861.db2.gz XVIQKXHZXLDTKU-GHMZBOCLSA-N 1 0 261.321 3.406 10 10 CGCERO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1ccc(N(C)C)cc1 ZINC000187286865 329356455 /nfs/dbraw/zinc/35/64/55/329356455.db2.gz LMGRRZVKOAQBRN-XMTFNYHQSA-N 1 0 288.435 3.361 10 10 CGCERO CCN(CCOC)c1ccc(C[NH2+]C(C)(C)C)cc1 ZINC000062737263 521137296 /nfs/dbraw/zinc/13/72/96/521137296.db2.gz NVRVVPWTWIZOSZ-UHFFFAOYSA-N 1 0 264.413 3.047 10 10 CGCERO C[C@H](N(C)c1c(F)cc(C[NH3+])cc1F)C(C)(C)C ZINC000062713655 524814126 /nfs/dbraw/zinc/81/41/26/524814126.db2.gz SNTRHTQZKFHJHR-VIFPVBQESA-N 1 0 256.340 3.294 10 10 CGCERO C[C@H]([NH3+])c1ccc(N(C)Cc2ccncc2)c(Cl)c1 ZINC000061695285 524865113 /nfs/dbraw/zinc/86/51/13/524865113.db2.gz DFWPPKOKZUXVFW-NSHDSACASA-N 1 0 275.783 3.391 10 10 CGCERO Cc1cc(N2CC[C@H]3CCCC[C@@H]3C2)ccc1C[NH3+] ZINC000050582581 525095085 /nfs/dbraw/zinc/09/50/85/525095085.db2.gz ZMERGKDQQKHEET-GDBMZVCRSA-N 1 0 258.409 3.470 10 10 CGCERO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(O)c2O)s1 ZINC000049162050 525734091 /nfs/dbraw/zinc/73/40/91/525734091.db2.gz UQPUAQHUIVWREJ-SNVBAGLBSA-N 1 0 263.362 3.319 10 10 CGCERO [NH3+][C@@H](c1cc(Cc2ccccc2)ccc1O)C1CC1 ZINC000757145388 617802026 /nfs/dbraw/zinc/80/20/26/617802026.db2.gz MAMGKCHKTYVCDO-QGZVFWFLSA-N 1 0 253.345 3.393 10 10 CGCERO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H]2c2cnn(C)c2)c1 ZINC000164287109 622826983 /nfs/dbraw/zinc/82/69/83/622826983.db2.gz BUTJBQJKVJCZST-INIZCTEOSA-N 1 0 285.391 3.080 10 10 CGCERO C[C@@H]([NH3+])c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000168990738 346190876 /nfs/dbraw/zinc/19/08/76/346190876.db2.gz GOMOBVHLNNGGCK-CYBMUJFWSA-N 1 0 252.361 3.269 10 10 CGCERO Oc1cc(OCc2ccccc2)ccc1[C@@H]1CCC[NH2+]1 ZINC000309637851 346469641 /nfs/dbraw/zinc/46/96/41/346469641.db2.gz PFFSOQCYKXHQPP-INIZCTEOSA-N 1 0 269.344 3.396 10 10 CGCERO CC(C)C[C@@H]([NH3+])c1ccc(Br)cc1O ZINC000306873443 374139572 /nfs/dbraw/zinc/13/95/72/374139572.db2.gz XPNXZHLKKGXVLM-SNVBAGLBSA-N 1 0 258.159 3.201 10 10 CGCERO CC(C)CCOc1ccc(N2CCC([NH3+])CC2)cc1 ZINC000043470897 134904180 /nfs/dbraw/zinc/90/41/80/134904180.db2.gz VZFZNUBEPWFTBW-UHFFFAOYSA-N 1 0 262.397 3.039 10 10 CGCERO CCOc1ccc(N2C[C@H](CC)[NH2+]C[C@H]2CC)cc1 ZINC000083457244 135023069 /nfs/dbraw/zinc/02/30/69/135023069.db2.gz UGPAQYXOILDLBR-UONOGXRCSA-N 1 0 262.397 3.052 10 10 CGCERO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]C1CCC(O)CC1 ZINC000019918955 170927018 /nfs/dbraw/zinc/92/70/18/170927018.db2.gz YHQLTGDPCBVCKV-GFJIZPEISA-N 1 0 275.392 3.142 10 10 CGCERO CC[NH2+]Cc1ccc(N(C)C[C@@H](C)CC)c(F)c1 ZINC000037173777 173007537 /nfs/dbraw/zinc/00/75/37/173007537.db2.gz JYBZIBPDSCKNOH-LBPRGKRZSA-N 1 0 252.377 3.418 10 10 CGCERO CC(C)[NH2+]Cc1ccc(N2CCC[C@@H]2C)c(F)c1 ZINC000037911787 173844985 /nfs/dbraw/zinc/84/49/85/173844985.db2.gz ZZPFZRJCCJRRQR-LBPRGKRZSA-N 1 0 250.361 3.312 10 10 CGCERO CC[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)c1ccccc1O ZINC000156716876 261129316 /nfs/dbraw/zinc/12/93/16/261129316.db2.gz SMJKEUVCKLFZCI-BPUTZDHNSA-N 1 0 276.424 3.162 10 10 CGCERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc2ccccc2c1O ZINC000134236677 279545183 /nfs/dbraw/zinc/54/51/83/279545183.db2.gz HEOZTWVGQMFLDK-MKBNYLNASA-N 1 0 271.360 3.373 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2c3ccccc3C[C@H]2O)c(O)c1 ZINC000248530121 329891308 /nfs/dbraw/zinc/89/13/08/329891308.db2.gz XFNGLDYPSRORKO-JBBXEZCESA-N 1 0 283.371 3.010 10 10 CGCERO CC(C)Oc1ccc(N2CC(C)(C)[NH2+]C[C@H]2C)cc1 ZINC000058457938 519780439 /nfs/dbraw/zinc/78/04/39/519780439.db2.gz HYFXCXPGCNOEBQ-CYBMUJFWSA-N 1 0 262.397 3.051 10 10 CGCERO CCC[NH2+]C[C@H]1CCN(c2ccc(OC)c(Cl)c2)C1 ZINC000053011786 519937071 /nfs/dbraw/zinc/93/70/71/519937071.db2.gz XWVQWTMRBFDLJI-GFCCVEGCSA-N 1 0 282.815 3.175 10 10 CGCERO CCC[NH2+][C@H](C)c1ccc(N(C)CCOC)c(Cl)c1 ZINC000061696636 520065137 /nfs/dbraw/zinc/06/51/37/520065137.db2.gz RMBOXSGRFJIUOF-GFCCVEGCSA-N 1 0 284.831 3.483 10 10 CGCERO CC[C@H]([NH2+]Cc1ccc(O)cc1O)c1cccs1 ZINC000049528834 522649805 /nfs/dbraw/zinc/64/98/05/522649805.db2.gz FVEQPTVBHUXEQR-LBPRGKRZSA-N 1 0 263.362 3.400 10 10 CGCERO CC[C@H]([NH3+])c1c(C)c(Br)c(C)cc1O ZINC000095707152 640814345 /nfs/dbraw/zinc/81/43/45/640814345.db2.gz ULDGWBVQBJJFLC-QMMMGPOBSA-N 1 0 258.159 3.181 10 10 CGCERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)ccc3O)C2)c1 ZINC000123081287 370910375 /nfs/dbraw/zinc/91/03/75/370910375.db2.gz ZKFQXLTUBUDLRV-INIZCTEOSA-N 1 0 285.391 3.043 10 10 CGCERO COc1ccc(O)c(C[NH2+][C@@H](C)c2ccc(C)o2)c1 ZINC000036959910 369042559 /nfs/dbraw/zinc/04/25/59/369042559.db2.gz OWTQGYAUWQABKQ-NSHDSACASA-N 1 0 261.321 3.153 10 10 CGCERO CN(C)C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccccc1 ZINC000097395315 370241473 /nfs/dbraw/zinc/24/14/73/370241473.db2.gz GGLDBUFIORAZRG-GOSISDBHSA-N 1 0 296.414 3.014 10 10 CGCERO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H](c2ccccc2)O1 ZINC000245578876 376860985 /nfs/dbraw/zinc/86/09/85/376860985.db2.gz ALKRNGKTANWAHN-KSSFIOAISA-N 1 0 283.371 3.354 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(N(C)C)cc1 ZINC000247041058 377145655 /nfs/dbraw/zinc/14/56/55/377145655.db2.gz LTRNEOTWDMDEAY-RUGDWHBFSA-N 1 0 288.435 3.361 10 10 CGCERO C[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cc(Cl)ccc1O ZINC000252001472 377610345 /nfs/dbraw/zinc/61/03/45/377610345.db2.gz WQGONMXUVQNPAB-GVAXYQGFSA-N 1 0 281.783 3.264 10 10 CGCERO CC(C)CN(CC(C)C)c1ccc(C[NH+](C)C)cc1N ZINC000575421761 377907593 /nfs/dbraw/zinc/90/75/93/377907593.db2.gz FIYFDYVTOUWLBW-UHFFFAOYSA-N 1 0 277.456 3.449 10 10 CGCERO Cc1ccc(CN(C)c2ccc(C[NH3+])cc2F)cc1 ZINC000020469766 171211535 /nfs/dbraw/zinc/21/15/35/171211535.db2.gz IHMZGFFBVYENBV-UHFFFAOYSA-N 1 0 258.340 3.229 10 10 CGCERO CC(C)C[NH+](Cc1cc(N)ccc1O)CC(C)C ZINC000036196877 172509012 /nfs/dbraw/zinc/50/90/12/172509012.db2.gz PTMBJIZOUNSBLX-UHFFFAOYSA-N 1 0 250.386 3.088 10 10 CGCERO CC[NH2+][C@@H](C)c1ccc(N(CC)[C@@H](C)COC)cc1 ZINC000042769103 174870449 /nfs/dbraw/zinc/87/04/49/174870449.db2.gz XQGLKZHQTJZUMX-KBPBESRZSA-N 1 0 264.413 3.218 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000187299508 329356519 /nfs/dbraw/zinc/35/65/19/329356519.db2.gz ZVWIHWIPPJKDIP-OKDNKWQNSA-N 1 0 288.435 3.361 10 10 CGCERO Oc1ccc(F)cc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000226581992 333265333 /nfs/dbraw/zinc/26/53/33/333265333.db2.gz DEAPDPLJGFUBPV-CQSZACIVSA-N 1 0 273.307 3.145 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@@H]2C)c1 ZINC000186101572 625514681 /nfs/dbraw/zinc/51/46/81/625514681.db2.gz WKSQOWAFDBGFNY-DZKIICNBSA-N 1 0 276.424 3.080 10 10 CGCERO Cc1cccc([C@H](C)[NH2+]Cc2cc3c(cc2O)OCO3)c1 ZINC000157245586 622892496 /nfs/dbraw/zinc/89/24/96/622892496.db2.gz AGNUJHINHQLDJK-LBPRGKRZSA-N 1 0 285.343 3.280 10 10 CGCERO CCC[NH+](CCC)[C@@H]1CCc2c(O)c(O)ccc2C1 ZINC000005832987 368564875 /nfs/dbraw/zinc/56/48/75/368564875.db2.gz JQHSYAQISCFWOK-CYBMUJFWSA-N 1 0 263.381 3.077 10 10 CGCERO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H](c2ccsc2)O1 ZINC000245581159 376860388 /nfs/dbraw/zinc/86/03/88/376860388.db2.gz BMTAIFFPNQFUGS-WBMJQRKESA-N 1 0 289.400 3.416 10 10 CGCERO C[C@@H]([NH3+])[C@H](Sc1nccs1)c1ccc(F)cc1 ZINC000042943983 174919239 /nfs/dbraw/zinc/91/92/39/174919239.db2.gz HPCVYUUCDAIPTN-KCJUWKMLSA-N 1 0 268.382 3.463 10 10 CGCERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cc(Cl)ccc1O ZINC000185506816 262058087 /nfs/dbraw/zinc/05/80/87/262058087.db2.gz QXVNULPDOUDBMW-MISXGVKJSA-N 1 0 283.799 3.247 10 10 CGCERO COc1cccc(C[N@@H+]2CCCC23CCCC3)c1O ZINC000311742160 262340333 /nfs/dbraw/zinc/34/03/33/262340333.db2.gz BMLAPASPRVTNLX-UHFFFAOYSA-N 1 0 261.365 3.309 10 10 CGCERO Cc1cnn(CC[NH2+][C@@H](C)c2cc3c(cc2O)CCCC3)c1 ZINC000185843430 327847569 /nfs/dbraw/zinc/84/75/69/327847569.db2.gz ATHPHDALLKQZIL-AWEZNQCLSA-N 1 0 299.418 3.127 10 10 CGCERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(Br)ccc1O ZINC000134917607 334108330 /nfs/dbraw/zinc/10/83/30/334108330.db2.gz UCXGGKAUKDHSFH-DKCNOQQISA-N 1 0 270.170 3.214 10 10 CGCERO CCCN(c1ccc(C[NH2+]CCOC)cc1)C(C)C ZINC000062735270 521697407 /nfs/dbraw/zinc/69/74/07/521697407.db2.gz VBOARUSPCZBGDB-UHFFFAOYSA-N 1 0 264.413 3.047 10 10 CGCERO C[C@@H]1CCCC[C@@H]1N(C)c1c(F)cc(C[NH3+])cc1F ZINC000062713502 524131188 /nfs/dbraw/zinc/13/11/88/524131188.db2.gz UTGRMSVPKRJVME-YGRLFVJLSA-N 1 0 268.351 3.438 10 10 CGCERO N#[N+]CC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000142028426 534974497 /nfs/dbraw/zinc/97/44/97/534974497.db2.gz IJJSKLIWRFLHGR-MWABVPJASA-N 1 0 280.371 3.394 10 10 CGCERO Cc1cnn([C@H]2CCC[N@H+](Cc3cc(C)cc(C)c3O)C2)c1 ZINC000164387628 622829154 /nfs/dbraw/zinc/82/91/54/622829154.db2.gz VFHMXESYRJTYEO-KRWDZBQOSA-N 1 0 299.418 3.351 10 10 CGCERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617575 640798998 /nfs/dbraw/zinc/79/89/98/640798998.db2.gz YMEOZJAZWSQVIE-JSGCOSHPSA-N 1 0 282.403 3.158 10 10 CGCERO CCN(c1ccc([C@H](C)[NH3+])cc1Cl)[C@H](C)COC ZINC000103959870 185869213 /nfs/dbraw/zinc/86/92/13/185869213.db2.gz OFJZQCKQLWUXFJ-MNOVXSKESA-N 1 0 270.804 3.221 10 10 CGCERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000176080493 373553661 /nfs/dbraw/zinc/55/36/61/373553661.db2.gz SUFIIGROBAYWIT-QGZVFWFLSA-N 1 0 299.418 3.179 10 10 CGCERO CCC[NH+](CCC)[C@@H]1CCc2ccc(O)c(O)c2C1 ZINC000026019898 171470851 /nfs/dbraw/zinc/47/08/51/171470851.db2.gz KWJJIKPCJFZUOA-CYBMUJFWSA-N 1 0 263.381 3.077 10 10 CGCERO CCN(CC)c1ccc([C@H](C[NH3+])N2CCC(C)CC2)cc1 ZINC000039789126 174172958 /nfs/dbraw/zinc/17/29/58/174172958.db2.gz ZSMUUHANHAWGDJ-SFHVURJKSA-N 1 0 289.467 3.265 10 10 CGCERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000159033765 261176762 /nfs/dbraw/zinc/17/67/62/261176762.db2.gz FPAMOXGYGAWUPI-KBPBESRZSA-N 1 0 294.414 3.357 10 10 CGCERO Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1O ZINC000180262577 329219052 /nfs/dbraw/zinc/21/90/52/329219052.db2.gz YRPOVDVCNBCMTN-OAHLLOKOSA-N 1 0 271.364 3.151 10 10 CGCERO C[NH2+]Cc1cc(F)c(N(C)[C@@H](C)C(C)C)c(F)c1 ZINC000062710971 522111268 /nfs/dbraw/zinc/11/12/68/522111268.db2.gz OBBKCFNJEFVZJW-JTQLQIEISA-N 1 0 256.340 3.165 10 10 CGCERO Cc1ccc(O)c(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000071407667 525353431 /nfs/dbraw/zinc/35/34/31/525353431.db2.gz NICMNKLOMJXHDV-OAHLLOKOSA-N 1 0 269.344 3.314 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000085977010 526355821 /nfs/dbraw/zinc/35/58/21/526355821.db2.gz UKASGCLKACTCEA-RHSMWYFYSA-N 1 0 285.387 3.186 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000085977007 526357010 /nfs/dbraw/zinc/35/70/10/526357010.db2.gz UKASGCLKACTCEA-WMLDXEAASA-N 1 0 285.387 3.186 10 10 CGCERO C[C@H]([NH3+])c1ccc2c(c1)CCN2Cc1ccccc1 ZINC000168990650 346191056 /nfs/dbraw/zinc/19/10/56/346191056.db2.gz GOMOBVHLNNGGCK-ZDUSSCGKSA-N 1 0 252.361 3.269 10 10 CGCERO Cc1cc(C)c(O)c2c1C[C@@H](c1ccccc1)[C@@H]2[NH3+] ZINC000026155636 368857083 /nfs/dbraw/zinc/85/70/83/368857083.db2.gz JHVNHBFPJSLMTF-HOCLYGCPSA-N 1 0 253.345 3.349 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 ZINC000248523426 377334855 /nfs/dbraw/zinc/33/48/55/377334855.db2.gz SMRXICIKOSKXSY-YXAMBPQSSA-N 1 0 275.392 3.165 10 10 CGCERO Cc1cc(O)c(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cc1C ZINC000093438122 392236976 /nfs/dbraw/zinc/23/69/76/392236976.db2.gz PLUXSCLLECANSF-INIZCTEOSA-N 1 0 285.391 3.459 10 10 CGCERO Oc1ccc(C[NH2+]Cc2ccc(Cl)cc2)c(O)c1 ZINC000020209638 171072861 /nfs/dbraw/zinc/07/28/61/171072861.db2.gz NSEPGXXDZCXOPF-UHFFFAOYSA-N 1 0 263.724 3.041 10 10 CGCERO Oc1ccc(C[NH2+]Cc2ccc(Cl)cc2)cc1O ZINC000020209621 171073262 /nfs/dbraw/zinc/07/32/62/171073262.db2.gz ROLLWDHNEHECNI-UHFFFAOYSA-N 1 0 263.724 3.041 10 10 CGCERO C[NH2+][C@H](C)c1ccc(N(C)Cc2cscn2)cc1 ZINC000042866375 174895161 /nfs/dbraw/zinc/89/51/61/174895161.db2.gz XRXROOQHZJGOMT-LLVKDONJSA-N 1 0 261.394 3.060 10 10 CGCERO CC[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1ccccc1O ZINC000300419745 261200385 /nfs/dbraw/zinc/20/03/85/261200385.db2.gz NFXPBMABKCAQBJ-DZKIICNBSA-N 1 0 261.365 3.000 10 10 CGCERO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000180193382 329218171 /nfs/dbraw/zinc/21/81/71/329218171.db2.gz ZNTBZMGFYGJJEQ-CQSZACIVSA-N 1 0 273.332 3.331 10 10 CGCERO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1O ZINC000188565341 329369893 /nfs/dbraw/zinc/36/98/93/329369893.db2.gz NYOGYZDORHWYNQ-MCIONIFRSA-N 1 0 281.783 3.011 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)c(O)c1 ZINC000248521722 329891305 /nfs/dbraw/zinc/89/13/05/329891305.db2.gz RQFOJULHAJJZBZ-KSZJFAHPSA-N 1 0 275.392 3.165 10 10 CGCERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1O ZINC000252886072 334398625 /nfs/dbraw/zinc/39/86/25/334398625.db2.gz YTNFCUKPKASLFJ-SQWLQELKSA-N 1 0 263.381 3.127 10 10 CGCERO CCCN(c1c(F)cc(C[NH2+]CC)cc1F)C1CC1 ZINC000062710286 521697299 /nfs/dbraw/zinc/69/72/99/521697299.db2.gz ACUMHEAIYGPKCS-UHFFFAOYSA-N 1 0 268.351 3.453 10 10 CGCERO COc1ccc(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1Cl ZINC000054601770 524449105 /nfs/dbraw/zinc/44/91/05/524449105.db2.gz RWNDSSMYTJQYSA-YOGCLGLASA-N 1 0 280.799 3.197 10 10 CGCERO Cc1cc(C[NH3+])ccc1N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000057936555 524670615 /nfs/dbraw/zinc/67/06/15/524670615.db2.gz SNJBQANBTFEPLI-JKSUJKDBSA-N 1 0 258.409 3.470 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085977005 526357101 /nfs/dbraw/zinc/35/71/01/526357101.db2.gz UKASGCLKACTCEA-PBHICJAKSA-N 1 0 285.387 3.186 10 10 CGCERO CC[NH2+][C@H](C)c1ccc(N2CCSCC2)c(F)c1 ZINC000034840735 535516399 /nfs/dbraw/zinc/51/63/99/535516399.db2.gz FLJKHLYKLHFWPA-LLVKDONJSA-N 1 0 268.401 3.049 10 10 CGCERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1ccc(N(C)C)cc1 ZINC000160550067 618092384 /nfs/dbraw/zinc/09/23/84/618092384.db2.gz PHVLKTBFRWXIMS-SZMVWBNQSA-N 1 0 290.451 3.344 10 10 CGCERO Cc1cc(O)c(C[N@@H+]2CC[C@H](Oc3cccnc3)C2)cc1C ZINC000124413298 370924746 /nfs/dbraw/zinc/92/47/46/370924746.db2.gz HIIGWYCQXPQNCJ-KRWDZBQOSA-N 1 0 298.386 3.057 10 10 CGCERO CCC[NH+](CCC)[C@@H]1CCCc2c(O)c(O)ccc2C1 ZINC000216073503 376156744 /nfs/dbraw/zinc/15/67/44/376156744.db2.gz HPDUVYIULMPHPC-CQSZACIVSA-N 1 0 277.408 3.467 10 10 CGCERO Oc1ccc2ccccc2c1C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249848294 377536518 /nfs/dbraw/zinc/53/65/18/377536518.db2.gz OWLXQHMHDLPUBP-LESCRADOSA-N 1 0 283.371 3.203 10 10 CGCERO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1ccccc1O ZINC000251990738 377607897 /nfs/dbraw/zinc/60/78/97/377607897.db2.gz VYSOSTKMIPCECE-CTASWTNQSA-N 1 0 261.365 3.000 10 10 CGCERO CCOc1ccc(N2C[C@H](CC)[NH2+]C[C@@H]2CC)cc1 ZINC000083457245 135023135 /nfs/dbraw/zinc/02/31/35/135023135.db2.gz UGPAQYXOILDLBR-KBPBESRZSA-N 1 0 262.397 3.052 10 10 CGCERO C[C@H]([NH2+]Cc1ccc(O)cc1O)c1cccc(F)c1 ZINC000020147819 171035584 /nfs/dbraw/zinc/03/55/84/171035584.db2.gz SZPUWHFKENKMRL-JTQLQIEISA-N 1 0 261.296 3.088 10 10 CGCERO CN(c1ccc(C[NH3+])c(C(F)(F)F)c1)[C@@H]1CCSC1 ZINC000035719730 172374147 /nfs/dbraw/zinc/37/41/47/172374147.db2.gz IZGLIKRMTKDHDH-LLVKDONJSA-N 1 0 290.354 3.106 10 10 CGCERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000037167214 173001604 /nfs/dbraw/zinc/00/16/04/173001604.db2.gz RPNKYNMWBLGRTC-UONOGXRCSA-N 1 0 264.413 3.019 10 10 CGCERO CC(C)[NH2+]Cc1cnc(-c2ccc(N(C)C)cc2)s1 ZINC000040997110 174446711 /nfs/dbraw/zinc/44/67/11/174446711.db2.gz YIJTXZOCHLXQRZ-UHFFFAOYSA-N 1 0 275.421 3.374 10 10 CGCERO CCC[NH+](CCC)[C@@H]1CCc2cc(O)c(O)cc2C1 ZINC000005832999 276252811 /nfs/dbraw/zinc/25/28/11/276252811.db2.gz YNJJGTRJAAGQAD-CQSZACIVSA-N 1 0 263.381 3.077 10 10 CGCERO Cc1ccc(O)c(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000071406480 280920155 /nfs/dbraw/zinc/92/01/55/280920155.db2.gz IIGOIILGCBJERX-INIZCTEOSA-N 1 0 253.345 3.478 10 10 CGCERO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000180138110 329217998 /nfs/dbraw/zinc/21/79/98/329217998.db2.gz QUOCWKWVELOCQX-ZDUSSCGKSA-N 1 0 261.296 3.461 10 10 CGCERO C[C@H]([NH2+]CC[C@@H]1C(=O)Nc2ccccc21)c1ccccc1O ZINC000183591888 329250785 /nfs/dbraw/zinc/25/07/85/329250785.db2.gz BBTZTELSMOCWTB-WFASDCNBSA-N 1 0 296.370 3.169 10 10 CGCERO CCC[NH+]1CCC(Nc2c(N)cccc2Cl)CC1 ZINC000049554984 519847180 /nfs/dbraw/zinc/84/71/80/519847180.db2.gz VBVQKUYKHIQNSY-UHFFFAOYSA-N 1 0 267.804 3.209 10 10 CGCERO Cc1cc(C[NH2+]C(C)C)ccc1N(C)[C@H]1CCSC1 ZINC000050560239 524750190 /nfs/dbraw/zinc/75/01/90/524750190.db2.gz HOFHSBLJSNBXHM-HNNXBMFYSA-N 1 0 278.465 3.435 10 10 CGCERO N#[N+]CC(=O)c1cccc2c1C=Cc1cccc3c1N2CC3 ZINC000584603918 534975189 /nfs/dbraw/zinc/97/51/89/534975189.db2.gz WEPZUHZFWIZZRO-UHFFFAOYSA-N 1 0 287.322 3.348 10 10 CGCERO CC(C)c1cc(Br)cc([C@@H](C)[NH3+])c1O ZINC000757143067 617792796 /nfs/dbraw/zinc/79/27/96/617792796.db2.gz DUYDGHQLSKWGLU-SSDOTTSWSA-N 1 0 258.159 3.298 10 10 CGCERO Cc1cc(C)c(O)c(C[NH+]2CCC(c3ccnn3C)CC2)c1 ZINC000164366357 622829088 /nfs/dbraw/zinc/82/90/88/622829088.db2.gz MRWGOKPWMIOVSY-UHFFFAOYSA-N 1 0 299.418 3.122 10 10 CGCERO Cc1cc(C)c(O)c(C[N@@H+]2CCO[C@@H]3CCCC[C@H]32)c1 ZINC000246806553 640694268 /nfs/dbraw/zinc/69/42/68/640694268.db2.gz PSQPTJVYUZQVJY-HZPDHXFCSA-N 1 0 275.392 3.152 10 10 CGCERO N#[N+]CC(=O)C12CCC(c3ccccc3)(CC1)CC2 ZINC000142311570 534974406 /nfs/dbraw/zinc/97/44/06/534974406.db2.gz SDYSMMAMCUGXSO-UHFFFAOYSA-N 1 0 254.333 3.148 10 10 CGCERO Cc1cc(O)c([C@H]2CCC[NH2+]2)c(C)c1Br ZINC000218402587 346293253 /nfs/dbraw/zinc/29/32/53/346293253.db2.gz XNNIGHIZUSOKJO-SECBINFHSA-N 1 0 270.170 3.196 10 10 CGCERO Cc1ccc(C2=[NH+]CCCN2c2ccc(N)cc2)cc1 ZINC000011847813 368597344 /nfs/dbraw/zinc/59/73/44/368597344.db2.gz WTIPEKUTQBVFIE-UHFFFAOYSA-N 1 0 265.360 3.234 10 10 CGCERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc2ccccc2c1O ZINC000134236654 371314877 /nfs/dbraw/zinc/31/48/77/371314877.db2.gz HEOZTWVGQMFLDK-OZVIIMIRSA-N 1 0 271.360 3.373 10 10 CGCERO Cc1ccc([C@H](C)[NH2+][C@H]2c3ccccc3C[C@H]2O)c(O)c1 ZINC000248530122 377336700 /nfs/dbraw/zinc/33/67/00/377336700.db2.gz XFNGLDYPSRORKO-RZAIGCCYSA-N 1 0 283.371 3.010 10 10 CGCERO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1ccc(N(C)C)cc1 ZINC000251782699 377598024 /nfs/dbraw/zinc/59/80/24/377598024.db2.gz LMGRRZVKOAQBRN-WNRNVDISSA-N 1 0 288.435 3.361 10 10 CGCERO COc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1C ZINC000282063935 379851208 /nfs/dbraw/zinc/85/12/08/379851208.db2.gz BLHWDSRVTPFZEG-MIFYACCESA-N 1 0 277.408 3.297 10 10 CGCERO COc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccncc2)c(O)c1 ZINC000020121829 171000870 /nfs/dbraw/zinc/00/08/70/171000870.db2.gz FCHJPZPRPVLEAW-NWDGAFQWSA-N 1 0 272.348 3.208 10 10 CGCERO CC(C)CN(c1ccc([C@H](C)[NH3+])cc1F)C1CC1 ZINC000042557634 174793975 /nfs/dbraw/zinc/79/39/75/174793975.db2.gz FWAPBQAPUNVEMU-NSHDSACASA-N 1 0 250.361 3.470 10 10 CGCERO C[C@H]([NH3+])c1ccc(N(CC(F)(F)F)C2CC2)cc1 ZINC000042769481 174870492 /nfs/dbraw/zinc/87/04/92/174870492.db2.gz QGGHPFPSPDKLLQ-VIFPVBQESA-N 1 0 258.287 3.237 10 10 CGCERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179572646 329209867 /nfs/dbraw/zinc/20/98/67/329209867.db2.gz DUEHNJKHUANLLR-HNNXBMFYSA-N 1 0 285.391 3.080 10 10 CGCERO COc1ccc(O)c(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000179950020 329213831 /nfs/dbraw/zinc/21/38/31/329213831.db2.gz QEEUIXIFKCKMFN-INIZCTEOSA-N 1 0 298.386 3.087 10 10 CGCERO C[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cc(Cl)ccc1O ZINC000187282239 329356288 /nfs/dbraw/zinc/35/62/88/329356288.db2.gz WQGONMXUVQNPAB-AGNJHWRGSA-N 1 0 281.783 3.264 10 10 CGCERO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@H]2O)c1 ZINC000248515868 329891043 /nfs/dbraw/zinc/89/10/43/329891043.db2.gz OKBXLWVURVHYTP-ULFGMLNVSA-N 1 0 283.371 3.010 10 10 CGCERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(Br)ccc1O ZINC000134917585 334108409 /nfs/dbraw/zinc/10/84/09/334108409.db2.gz UCXGGKAUKDHSFH-VHSKPIJISA-N 1 0 270.170 3.214 10 10 CGCERO C[C@H]([NH3+])c1ccc(N(C)CC(F)(F)F)c(Cl)c1 ZINC000061695860 524864915 /nfs/dbraw/zinc/86/49/15/524864915.db2.gz MLBUAABZYXNVMV-ZETCQYMHSA-N 1 0 266.694 3.358 10 10 CGCERO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCCC3)CCS1 ZINC000160145370 617607090 /nfs/dbraw/zinc/60/70/90/617607090.db2.gz SQMHUWPQFVUMEQ-GFCCVEGCSA-N 1 0 277.433 3.208 10 10 CGCERO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000160493171 618079228 /nfs/dbraw/zinc/07/92/28/618079228.db2.gz LIXBWYJEFNVIOG-ZVZYQTTQSA-N 1 0 290.451 3.344 10 10 CGCERO Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000164458206 622835771 /nfs/dbraw/zinc/83/57/71/622835771.db2.gz IXVDHMZFBUOCIC-QGZVFWFLSA-N 1 0 299.418 3.179 10 10 CGCERO C[C@H]([NH3+])c1ccc(N(C)C[C@H]2C[C@@H]2C)c(Cl)c1 ZINC000104423666 185997474 /nfs/dbraw/zinc/99/74/74/185997474.db2.gz VMWSGBGKHAPCAH-JBLDHEPKSA-N 1 0 252.789 3.452 10 10 CGCERO CCN(CC)c1ccc(C[NH2+]CCOc2ccccn2)cc1 ZINC000057353338 369535732 /nfs/dbraw/zinc/53/57/32/369535732.db2.gz WKEZJRAPOVGYMM-UHFFFAOYSA-N 1 0 299.418 3.096 10 10 CGCERO CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1O ZINC000248548190 377345579 /nfs/dbraw/zinc/34/55/79/377345579.db2.gz GPLNKSZDIANEAR-YALNPMBYSA-N 1 0 287.403 3.391 10 10 CGCERO CC[C@H](c1ccccc1O)[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000251178488 334357796 /nfs/dbraw/zinc/35/77/96/334357796.db2.gz CTFDEKMHKQMAGD-FMKPAKJESA-N 1 0 261.365 3.097 10 10 CGCERO CC(C)C[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000062734301 519747010 /nfs/dbraw/zinc/74/70/10/519747010.db2.gz KIVKLHYWOBLWQJ-HUUCEWRRSA-N 1 0 276.424 3.046 10 10 CGCERO COc1ccc(N2CC[C@H](C[NH2+]CC(C)C)C2)cc1Cl ZINC000053011780 524441309 /nfs/dbraw/zinc/44/13/09/524441309.db2.gz DKLUBLHFVLLWFV-CYBMUJFWSA-N 1 0 296.842 3.421 10 10 CGCERO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(Cl)ccc1O ZINC000251790173 640833884 /nfs/dbraw/zinc/83/38/84/640833884.db2.gz NJOSWIMXSOIGLE-DOMZBBRYSA-N 1 0 294.826 3.104 10 10 CGCERO Nc1ccc2c(ccn2CCC[NH+]2CCCCC2)c1 ZINC000034520137 344940303 /nfs/dbraw/zinc/94/03/03/344940303.db2.gz BFZDTOFMYTZNSM-UHFFFAOYSA-N 1 0 257.381 3.100 10 10 CGCERO Cc1ccc(Br)c([C@H]2CCCC[NH2+]2)c1O ZINC000218408509 346293351 /nfs/dbraw/zinc/29/33/51/346293351.db2.gz WDNVNUCQWDCAPN-SNVBAGLBSA-N 1 0 270.170 3.278 10 10 CGCERO CC(=O)Nc1ccc(O)c(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000584591155 346685922 /nfs/dbraw/zinc/68/59/22/346685922.db2.gz LKISZTUQFXGDDI-GFCCVEGCSA-N 1 0 284.359 3.201 10 10 CGCERO C[N@H+](CCCCc1ccc(N)cc1)CCc1ccc(N)cc1 ZINC000584594755 346686980 /nfs/dbraw/zinc/68/69/80/346686980.db2.gz XWRZIKOHRKLZKD-UHFFFAOYSA-N 1 0 297.446 3.348 10 10 CGCERO Cc1ccc(C)n1-c1ccccc1O[C@@H](C)C[NH+](C)C ZINC000584620884 346695838 /nfs/dbraw/zinc/69/58/38/346695838.db2.gz MDVPBWCKGWBZFT-HNNXBMFYSA-N 1 0 272.392 3.423 10 10 CGCERO C[NH2+]Cc1ccc(N(C)CC2CCCC2)c(F)c1 ZINC000104361184 185984069 /nfs/dbraw/zinc/98/40/69/185984069.db2.gz WVMCSJFACTYEHI-UHFFFAOYSA-N 1 0 250.361 3.172 10 10 CGCERO Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000176080513 373553791 /nfs/dbraw/zinc/55/37/91/373553791.db2.gz SUFIIGROBAYWIT-KRWDZBQOSA-N 1 0 299.418 3.179 10 10 CGCERO CC1CCC(CC[NH2+]Cc2ccc(O)cc2O)CC1 ZINC000070538433 541893965 /nfs/dbraw/zinc/89/39/65/541893965.db2.gz WMPHJFURZQQWGN-UHFFFAOYSA-N 1 0 263.381 3.404 10 10 CGCERO CC1CCC(CC[NH2+]Cc2cccc(O)c2O)CC1 ZINC000070538567 541894420 /nfs/dbraw/zinc/89/44/20/541894420.db2.gz PHCVDHPJXWUHFI-UHFFFAOYSA-N 1 0 263.381 3.404 10 10 CGCERO COc1ccc(O)c(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246017021 376952563 /nfs/dbraw/zinc/95/25/63/376952563.db2.gz ZRTSSQOKSFZBOJ-GDBMZVCRSA-N 1 0 293.432 3.261 10 10 CGCERO C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(O)cc1O ZINC000019950044 170938994 /nfs/dbraw/zinc/93/89/94/170938994.db2.gz OQJOLUDSVKQONE-SNVBAGLBSA-N 1 0 261.296 3.088 10 10 CGCERO C[C@@H]([NH3+])c1ccc(N(C)Cc2cccc(F)c2)cc1 ZINC000020266776 171123398 /nfs/dbraw/zinc/12/33/98/171123398.db2.gz MONXJLMHKXUGQV-GFCCVEGCSA-N 1 0 258.340 3.482 10 10 CGCERO CCN(c1ccc(C[NH2+]C(C)C)cc1F)C1CC1 ZINC000034824633 171878986 /nfs/dbraw/zinc/87/89/86/171878986.db2.gz JVGPTROIMWZQTG-UHFFFAOYSA-N 1 0 250.361 3.312 10 10 CGCERO C[NH2+][C@H](C)c1ccc(N(C)Cc2ccco2)c(F)c1 ZINC000035702257 172369804 /nfs/dbraw/zinc/36/98/04/172369804.db2.gz MJDIAWAUDWINMK-LLVKDONJSA-N 1 0 262.328 3.336 10 10 CGCERO Nc1ccc(OCCC[NH+]2CCCCCCC2)cc1 ZINC000036671486 172649189 /nfs/dbraw/zinc/64/91/89/172649189.db2.gz SEFZKPCVKJJBSX-UHFFFAOYSA-N 1 0 262.397 3.304 10 10 CGCERO COc1ccc([C@H](C)[NH2+]Cc2nc(C)cs2)c(O)c1 ZINC000038090881 174104538 /nfs/dbraw/zinc/10/45/38/174104538.db2.gz DYROYIZWMKYAGA-JTQLQIEISA-N 1 0 278.377 3.017 10 10 CGCERO Cc1cc(N2CCc3sccc3C2)ccc1C[NH3+] ZINC000050581199 525094583 /nfs/dbraw/zinc/09/45/83/525094583.db2.gz FDMBIDMAKQNQCB-UHFFFAOYSA-N 1 0 258.390 3.078 10 10 CGCERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O)c(O)c2)s1 ZINC000049157868 525928941 /nfs/dbraw/zinc/92/89/41/525928941.db2.gz BWJVVEOSNNJSPW-JTQLQIEISA-N 1 0 263.362 3.319 10 10 CGCERO C[C@H]1CC(C[NH2+]Cc2ccc(N(C)C)cc2)C[C@H](C)O1 ZINC000282149317 526226731 /nfs/dbraw/zinc/22/67/31/526226731.db2.gz HPVIXCILCSBJQS-KBPBESRZSA-N 1 0 276.424 3.046 10 10 CGCERO Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(N)cc2)s1 ZINC000049538733 526745741 /nfs/dbraw/zinc/74/57/41/526745741.db2.gz WLFMCBLWWARECE-SECBINFHSA-N 1 0 261.394 3.193 10 10 CGCERO CC[NH2+]C1CCN(c2ccc(OC(C)C)cc2)CC1 ZINC000037242265 535453562 /nfs/dbraw/zinc/45/35/62/535453562.db2.gz URKFLSCNFXKSSF-UHFFFAOYSA-N 1 0 262.397 3.052 10 10 CGCERO CC(C)CN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000183627452 625098738 /nfs/dbraw/zinc/09/87/38/625098738.db2.gz GMOVBCWLMHQRPI-LSDHHAIUSA-N 1 0 276.424 3.163 10 10 CGCERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cc2c(cc1O)CCCC2 ZINC000248492650 640764584 /nfs/dbraw/zinc/76/45/84/640764584.db2.gz JIHHUUAMVBCIFY-ZJNRKIDTSA-N 1 0 289.419 3.489 10 10 CGCERO Cc1cc(Br)cc([C@@H]([NH3+])C(C)C)c1O ZINC000095706880 640814394 /nfs/dbraw/zinc/81/43/94/640814394.db2.gz PGHGJFPYRJFWGG-JTQLQIEISA-N 1 0 258.159 3.119 10 10 CGCERO